Program PWSCF v.5.1.1 starts on 18Jul2015 at 14:52:36 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: ./NiAs.save/ file Ni.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 15 11 3 487 290 47 Max 16 12 4 496 301 56 Sum 757 547 163 23603 14205 2415 bravais-lattice index = 14 lattice parameter (alat) = 6.8388 a.u. unit-cell volume = 385.3037 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.838812 celldm(2)= 1.000000 celldm(3)= 1.391014 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500003 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500003 0.866024 0.000000 ) a(3) = ( 0.000000 0.000000 1.391014 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577355 -0.000000 ) b(2) = ( 0.000000 1.154703 -0.000000 ) b(3) = ( 0.000000 0.000000 0.718900 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Ni 10.00 58.69340 Ni( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6955068 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 474 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 2) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0021097 k( 3) = ( 0.0114942 0.0199087 -0.0000000), wk = 0.0021097 k( 4) = ( 0.0172413 0.0298630 -0.0000000), wk = 0.0021097 k( 5) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0021097 k( 6) = ( 0.0287356 0.0497717 -0.0000000), wk = 0.0021097 k( 7) = ( 0.0344827 0.0597260 -0.0000000), wk = 0.0021097 k( 8) = ( 0.0402298 0.0696803 -0.0000000), wk = 0.0021097 k( 9) = ( 0.0459769 0.0796347 -0.0000000), wk = 0.0021097 k( 10) = ( 0.0517240 0.0895890 -0.0000000), wk = 0.0021097 k( 11) = ( 0.0574712 0.0995433 -0.0000000), wk = 0.0021097 k( 12) = ( 0.0632183 0.1094977 -0.0000000), wk = 0.0021097 k( 13) = ( 0.0689654 0.1194520 -0.0000000), wk = 0.0021097 k( 14) = ( 0.0747125 0.1294063 -0.0000000), wk = 0.0021097 k( 15) = ( 0.0804596 0.1393607 -0.0000000), wk = 0.0021097 k( 16) = ( 0.0862067 0.1493150 -0.0000000), wk = 0.0021097 k( 17) = ( 0.0919539 0.1592693 -0.0000000), wk = 0.0021097 k( 18) = ( 0.0977010 0.1692237 -0.0000000), wk = 0.0021097 k( 19) = ( 0.1034481 0.1791780 -0.0000000), wk = 0.0021097 k( 20) = ( 0.1091952 0.1891323 -0.0000000), wk = 0.0021097 k( 21) = ( 0.1149423 0.1990867 -0.0000000), wk = 0.0021097 k( 22) = ( 0.1206894 0.2090410 -0.0000000), wk = 0.0021097 k( 23) = ( 0.1264365 0.2189953 -0.0000000), wk = 0.0021097 k( 24) = ( 0.1321837 0.2289497 -0.0000000), wk = 0.0021097 k( 25) = ( 0.1379308 0.2389040 -0.0000000), wk = 0.0021097 k( 26) = ( 0.1436779 0.2488583 -0.0000000), wk = 0.0021097 k( 27) = ( 0.1494250 0.2588127 -0.0000000), wk = 0.0021097 k( 28) = ( 0.1551721 0.2687670 -0.0000000), wk = 0.0021097 k( 29) = ( 0.1609192 0.2787213 -0.0000000), wk = 0.0021097 k( 30) = ( 0.1666663 0.2886757 -0.0000000), wk = 0.0021097 k( 31) = ( 0.1724135 0.2986300 -0.0000000), wk = 0.0021097 k( 32) = ( 0.1781606 0.3085843 -0.0000000), wk = 0.0021097 k( 33) = ( 0.1839077 0.3185387 -0.0000000), wk = 0.0021097 k( 34) = ( 0.1896548 0.3284930 -0.0000000), wk = 0.0021097 k( 35) = ( 0.1954019 0.3384473 -0.0000000), wk = 0.0021097 k( 36) = ( 0.2011490 0.3484017 -0.0000000), wk = 0.0021097 k( 37) = ( 0.2068962 0.3583560 -0.0000000), wk = 0.0021097 k( 38) = ( 0.2126433 0.3683104 -0.0000000), wk = 0.0021097 k( 39) = ( 0.2183904 0.3782647 -0.0000000), wk = 0.0021097 k( 40) = ( 0.2241375 0.3882190 -0.0000000), wk = 0.0021097 k( 41) = ( 0.2298846 0.3981733 -0.0000000), wk = 0.0021097 k( 42) = ( 0.2356317 0.4081277 -0.0000000), wk = 0.0021097 k( 43) = ( 0.2413789 0.4180820 -0.0000000), wk = 0.0021097 k( 44) = ( 0.2471260 0.4280363 -0.0000000), wk = 0.0021097 k( 45) = ( 0.2528731 0.4379907 -0.0000000), wk = 0.0021097 k( 46) = ( 0.2586202 0.4479450 -0.0000000), wk = 0.0021097 k( 47) = ( 0.2643673 0.4578994 -0.0000000), wk = 0.0021097 k( 48) = ( 0.2701144 0.4678537 -0.0000000), wk = 0.0021097 k( 49) = ( 0.2758616 0.4778080 -0.0000000), wk = 0.0021097 k( 50) = ( 0.2816087 0.4877624 -0.0000000), wk = 0.0021097 k( 51) = ( 0.2873558 0.4977167 -0.0000000), wk = 0.0021097 k( 52) = ( 0.2931029 0.5076710 -0.0000000), wk = 0.0021097 k( 53) = ( 0.2988500 0.5176253 -0.0000000), wk = 0.0021097 k( 54) = ( 0.3045971 0.5275797 -0.0000000), wk = 0.0021097 k( 55) = ( 0.3103442 0.5375340 -0.0000000), wk = 0.0021097 k( 56) = ( 0.3160914 0.5474884 -0.0000000), wk = 0.0021097 k( 57) = ( 0.3218385 0.5574427 -0.0000000), wk = 0.0021097 k( 58) = ( 0.3275856 0.5673970 -0.0000000), wk = 0.0021097 k( 59) = ( 0.3333327 0.5773514 -0.0000000), wk = 0.0021097 k( 60) = ( 0.3333327 0.5773514 -0.0000000), wk = 0.0021097 k( 61) = ( 0.3218385 0.5773513 -0.0000000), wk = 0.0021097 k( 62) = ( 0.3103442 0.5773514 -0.0000000), wk = 0.0021097 k( 63) = ( 0.2988500 0.5773514 -0.0000000), wk = 0.0021097 k( 64) = ( 0.2873558 0.5773514 -0.0000000), wk = 0.0021097 k( 65) = ( 0.2758616 0.5773514 -0.0000000), wk = 0.0021097 k( 66) = ( 0.2643673 0.5773514 -0.0000000), wk = 0.0021097 k( 67) = ( 0.2528731 0.5773514 -0.0000000), wk = 0.0021097 k( 68) = ( 0.2413789 0.5773514 -0.0000000), wk = 0.0021097 k( 69) = ( 0.2298846 0.5773514 -0.0000000), wk = 0.0021097 k( 70) = ( 0.2183904 0.5773514 -0.0000000), wk = 0.0021097 k( 71) = ( 0.2068962 0.5773513 -0.0000000), wk = 0.0021097 k( 72) = ( 0.1954019 0.5773514 -0.0000000), wk = 0.0021097 k( 73) = ( 0.1839077 0.5773514 -0.0000000), wk = 0.0021097 k( 74) = ( 0.1724135 0.5773514 -0.0000000), wk = 0.0021097 k( 75) = ( 0.1609192 0.5773514 -0.0000000), wk = 0.0021097 k( 76) = ( 0.1494250 0.5773514 -0.0000000), wk = 0.0021097 k( 77) = ( 0.1379308 0.5773513 -0.0000000), wk = 0.0021097 k( 78) = ( 0.1264365 0.5773514 -0.0000000), wk = 0.0021097 k( 79) = ( 0.1149423 0.5773514 -0.0000000), wk = 0.0021097 k( 80) = ( 0.1034481 0.5773514 -0.0000000), wk = 0.0021097 k( 81) = ( 0.0919539 0.5773514 -0.0000000), wk = 0.0021097 k( 82) = ( 0.0804596 0.5773514 -0.0000000), wk = 0.0021097 k( 83) = ( 0.0689654 0.5773514 -0.0000000), wk = 0.0021097 k( 84) = ( 0.0574712 0.5773514 -0.0000000), wk = 0.0021097 k( 85) = ( 0.0459769 0.5773514 -0.0000000), wk = 0.0021097 k( 86) = ( 0.0344827 0.5773514 -0.0000000), wk = 0.0021097 k( 87) = ( 0.0229885 0.5773514 -0.0000000), wk = 0.0021097 k( 88) = ( 0.0114942 0.5773514 -0.0000000), wk = 0.0021097 k( 89) = ( 0.0000000 0.5773514 -0.0000000), wk = 0.0021097 k( 90) = ( 0.0000000 0.5773514 -0.0000000), wk = 0.0021097 k( 91) = ( 0.0000000 0.5773514 0.0112328), wk = 0.0021097 k( 92) = ( 0.0000000 0.5773514 0.0224656), wk = 0.0021097 k( 93) = ( 0.0000000 0.5773514 0.0336984), wk = 0.0021097 k( 94) = ( 0.0000000 0.5773514 0.0449313), wk = 0.0021097 k( 95) = ( 0.0000000 0.5773514 0.0561641), wk = 0.0021097 k( 96) = ( 0.0000000 0.5773514 0.0673969), wk = 0.0021097 k( 97) = ( 0.0000000 0.5773514 0.0786297), wk = 0.0021097 k( 98) = ( 0.0000000 0.5773514 0.0898625), wk = 0.0021097 k( 99) = ( 0.0000000 0.5773514 0.1010953), wk = 0.0021097 k( 100) = ( 0.0000000 0.5773514 0.1123282), wk = 0.0021097 k( 101) = ( 0.0000000 0.5773514 0.1235610), wk = 0.0021097 k( 102) = ( 0.0000000 0.5773514 0.1347938), wk = 0.0021097 k( 103) = ( 0.0000000 0.5773514 0.1460266), wk = 0.0021097 k( 104) = ( 0.0000000 0.5773514 0.1572594), wk = 0.0021097 k( 105) = ( 0.0000000 0.5773514 0.1684922), wk = 0.0021097 k( 106) = ( 0.0000000 0.5773514 0.1797250), wk = 0.0021097 k( 107) = ( 0.0000000 0.5773514 0.1909579), wk = 0.0021097 k( 108) = ( 0.0000000 0.5773514 0.2021907), wk = 0.0021097 k( 109) = ( 0.0000000 0.5773514 0.2134235), wk = 0.0021097 k( 110) = ( 0.0000000 0.5773514 0.2246563), wk = 0.0021097 k( 111) = ( 0.0000000 0.5773514 0.2358891), wk = 0.0021097 k( 112) = ( 0.0000000 0.5773514 0.2471219), wk = 0.0021097 k( 113) = ( 0.0000000 0.5773514 0.2583548), wk = 0.0021097 k( 114) = ( 0.0000000 0.5773514 0.2695876), wk = 0.0021097 k( 115) = ( 0.0000000 0.5773514 0.2808204), wk = 0.0021097 k( 116) = ( 0.0000000 0.5773514 0.2920532), wk = 0.0021097 k( 117) = ( 0.0000000 0.5773514 0.3032860), wk = 0.0021097 k( 118) = ( 0.0000000 0.5773514 0.3145188), wk = 0.0021097 k( 119) = ( 0.0000000 0.5773514 0.3257516), wk = 0.0021097 k( 120) = ( 0.0000000 0.5773514 0.3369845), wk = 0.0021097 k( 121) = ( 0.0000000 0.5773514 0.3482173), wk = 0.0021097 k( 122) = ( 0.0000000 0.5773514 0.3594501), wk = 0.0021097 k( 123) = ( 0.0000000 0.5773514 0.3594501), wk = 0.0021097 k( 124) = ( 0.0114942 0.5773514 0.3594501), wk = 0.0021097 k( 125) = ( 0.0229885 0.5773514 0.3594501), wk = 0.0021097 k( 126) = ( 0.0344827 0.5773514 0.3594501), wk = 0.0021097 k( 127) = ( 0.0459769 0.5773514 0.3594501), wk = 0.0021097 k( 128) = ( 0.0574712 0.5773514 0.3594501), wk = 0.0021097 k( 129) = ( 0.0689654 0.5773514 0.3594501), wk = 0.0021097 k( 130) = ( 0.0804596 0.5773514 0.3594501), wk = 0.0021097 k( 131) = ( 0.0919539 0.5773514 0.3594501), wk = 0.0021097 k( 132) = ( 0.1034481 0.5773514 0.3594501), wk = 0.0021097 k( 133) = ( 0.1149423 0.5773514 0.3594501), wk = 0.0021097 k( 134) = ( 0.1264365 0.5773514 0.3594501), wk = 0.0021097 k( 135) = ( 0.1379308 0.5773513 0.3594501), wk = 0.0021097 k( 136) = ( 0.1494250 0.5773514 0.3594501), wk = 0.0021097 k( 137) = ( 0.1609192 0.5773514 0.3594501), wk = 0.0021097 k( 138) = ( 0.1724135 0.5773514 0.3594501), wk = 0.0021097 k( 139) = ( 0.1839077 0.5773514 0.3594501), wk = 0.0021097 k( 140) = ( 0.1954019 0.5773514 0.3594501), wk = 0.0021097 k( 141) = ( 0.2068962 0.5773513 0.3594501), wk = 0.0021097 k( 142) = ( 0.2183904 0.5773514 0.3594501), wk = 0.0021097 k( 143) = ( 0.2298846 0.5773514 0.3594501), wk = 0.0021097 k( 144) = ( 0.2413789 0.5773514 0.3594501), wk = 0.0021097 k( 145) = ( 0.2528731 0.5773514 0.3594501), wk = 0.0021097 k( 146) = ( 0.2643673 0.5773514 0.3594501), wk = 0.0021097 k( 147) = ( 0.2758616 0.5773514 0.3594501), wk = 0.0021097 k( 148) = ( 0.2873558 0.5773514 0.3594501), wk = 0.0021097 k( 149) = ( 0.2988500 0.5773514 0.3594501), wk = 0.0021097 k( 150) = ( 0.3103442 0.5773514 0.3594501), wk = 0.0021097 k( 151) = ( 0.3218385 0.5773513 0.3594501), wk = 0.0021097 k( 152) = ( 0.3333327 0.5773514 0.3594501), wk = 0.0021097 k( 153) = ( 0.3333327 0.5773514 0.3594501), wk = 0.0021097 k( 154) = ( 0.3275856 0.5673970 0.3594501), wk = 0.0021097 k( 155) = ( 0.3218385 0.5574427 0.3594501), wk = 0.0021097 k( 156) = ( 0.3160914 0.5474884 0.3594501), wk = 0.0021097 k( 157) = ( 0.3103442 0.5375340 0.3594501), wk = 0.0021097 k( 158) = ( 0.3045971 0.5275797 0.3594501), wk = 0.0021097 k( 159) = ( 0.2988500 0.5176253 0.3594501), wk = 0.0021097 k( 160) = ( 0.2931029 0.5076710 0.3594501), wk = 0.0021097 k( 161) = ( 0.2873558 0.4977167 0.3594501), wk = 0.0021097 k( 162) = ( 0.2816087 0.4877624 0.3594501), wk = 0.0021097 k( 163) = ( 0.2758616 0.4778080 0.3594501), wk = 0.0021097 k( 164) = ( 0.2701144 0.4678537 0.3594501), wk = 0.0021097 k( 165) = ( 0.2643673 0.4578994 0.3594501), wk = 0.0021097 k( 166) = ( 0.2586202 0.4479450 0.3594501), wk = 0.0021097 k( 167) = ( 0.2528731 0.4379907 0.3594501), wk = 0.0021097 k( 168) = ( 0.2471260 0.4280363 0.3594501), wk = 0.0021097 k( 169) = ( 0.2413789 0.4180820 0.3594501), wk = 0.0021097 k( 170) = ( 0.2356317 0.4081277 0.3594501), wk = 0.0021097 k( 171) = ( 0.2298846 0.3981733 0.3594501), wk = 0.0021097 k( 172) = ( 0.2241375 0.3882190 0.3594501), wk = 0.0021097 k( 173) = ( 0.2183904 0.3782647 0.3594501), wk = 0.0021097 k( 174) = ( 0.2126433 0.3683104 0.3594501), wk = 0.0021097 k( 175) = ( 0.2068962 0.3583560 0.3594501), wk = 0.0021097 k( 176) = ( 0.2011490 0.3484017 0.3594501), wk = 0.0021097 k( 177) = ( 0.1954019 0.3384473 0.3594501), wk = 0.0021097 k( 178) = ( 0.1896548 0.3284930 0.3594501), wk = 0.0021097 k( 179) = ( 0.1839077 0.3185387 0.3594501), wk = 0.0021097 k( 180) = ( 0.1781606 0.3085843 0.3594501), wk = 0.0021097 k( 181) = ( 0.1724135 0.2986300 0.3594501), wk = 0.0021097 k( 182) = ( 0.1666663 0.2886757 0.3594501), wk = 0.0021097 k( 183) = ( 0.1609192 0.2787213 0.3594501), wk = 0.0021097 k( 184) = ( 0.1551721 0.2687670 0.3594501), wk = 0.0021097 k( 185) = ( 0.1494250 0.2588127 0.3594501), wk = 0.0021097 k( 186) = ( 0.1436779 0.2488583 0.3594501), wk = 0.0021097 k( 187) = ( 0.1379308 0.2389040 0.3594501), wk = 0.0021097 k( 188) = ( 0.1321837 0.2289497 0.3594501), wk = 0.0021097 k( 189) = ( 0.1264365 0.2189953 0.3594501), wk = 0.0021097 k( 190) = ( 0.1206894 0.2090410 0.3594501), wk = 0.0021097 k( 191) = ( 0.1149423 0.1990867 0.3594501), wk = 0.0021097 k( 192) = ( 0.1091952 0.1891323 0.3594501), wk = 0.0021097 k( 193) = ( 0.1034481 0.1791780 0.3594501), wk = 0.0021097 k( 194) = ( 0.0977010 0.1692237 0.3594501), wk = 0.0021097 k( 195) = ( 0.0919539 0.1592693 0.3594501), wk = 0.0021097 k( 196) = ( 0.0862067 0.1493150 0.3594501), wk = 0.0021097 k( 197) = ( 0.0804596 0.1393607 0.3594501), wk = 0.0021097 k( 198) = ( 0.0747125 0.1294063 0.3594501), wk = 0.0021097 k( 199) = ( 0.0689654 0.1194520 0.3594501), wk = 0.0021097 k( 200) = ( 0.0632183 0.1094977 0.3594501), wk = 0.0021097 k( 201) = ( 0.0574712 0.0995433 0.3594501), wk = 0.0021097 k( 202) = ( 0.0517240 0.0895890 0.3594501), wk = 0.0021097 k( 203) = ( 0.0459769 0.0796347 0.3594501), wk = 0.0021097 k( 204) = ( 0.0402298 0.0696803 0.3594501), wk = 0.0021097 k( 205) = ( 0.0344827 0.0597260 0.3594501), wk = 0.0021097 k( 206) = ( 0.0287356 0.0497717 0.3594501), wk = 0.0021097 k( 207) = ( 0.0229885 0.0398173 0.3594501), wk = 0.0021097 k( 208) = ( 0.0172413 0.0298630 0.3594501), wk = 0.0021097 k( 209) = ( 0.0114942 0.0199087 0.3594501), wk = 0.0021097 k( 210) = ( 0.0057471 0.0099543 0.3594501), wk = 0.0021097 k( 211) = ( 0.0000000 0.0000000 0.3594501), wk = 0.0021097 k( 212) = ( 0.0000000 0.0000000 0.3594501), wk = 0.0021097 k( 213) = ( 0.0000000 0.0000000 0.3482173), wk = 0.0021097 k( 214) = ( 0.0000000 0.0000000 0.3369845), wk = 0.0021097 k( 215) = ( 0.0000000 0.0000000 0.3257516), wk = 0.0021097 k( 216) = ( 0.0000000 0.0000000 0.3145188), wk = 0.0021097 k( 217) = ( 0.0000000 0.0000000 0.3032860), wk = 0.0021097 k( 218) = ( 0.0000000 0.0000000 0.2920532), wk = 0.0021097 k( 219) = ( 0.0000000 0.0000000 0.2808204), wk = 0.0021097 k( 220) = ( 0.0000000 0.0000000 0.2695876), wk = 0.0021097 k( 221) = ( 0.0000000 0.0000000 0.2583548), wk = 0.0021097 k( 222) = ( 0.0000000 0.0000000 0.2471219), wk = 0.0021097 k( 223) = ( 0.0000000 0.0000000 0.2358891), wk = 0.0021097 k( 224) = ( 0.0000000 0.0000000 0.2246563), wk = 0.0021097 k( 225) = ( 0.0000000 0.0000000 0.2134235), wk = 0.0021097 k( 226) = ( 0.0000000 0.0000000 0.2021907), wk = 0.0021097 k( 227) = ( 0.0000000 0.0000000 0.1909579), wk = 0.0021097 k( 228) = ( 0.0000000 0.0000000 0.1797250), wk = 0.0021097 k( 229) = ( 0.0000000 0.0000000 0.1684922), wk = 0.0021097 k( 230) = ( 0.0000000 0.0000000 0.1572594), wk = 0.0021097 k( 231) = ( 0.0000000 0.0000000 0.1460266), wk = 0.0021097 k( 232) = ( 0.0000000 0.0000000 0.1347938), wk = 0.0021097 k( 233) = ( 0.0000000 0.0000000 0.1235610), wk = 0.0021097 k( 234) = ( 0.0000000 0.0000000 0.1123282), wk = 0.0021097 k( 235) = ( 0.0000000 0.0000000 0.1010953), wk = 0.0021097 k( 236) = ( 0.0000000 0.0000000 0.0898625), wk = 0.0021097 k( 237) = ( 0.0000000 0.0000000 0.0786297), wk = 0.0021097 k( 238) = ( 0.0000000 0.0000000 0.0673969), wk = 0.0021097 k( 239) = ( 0.0000000 0.0000000 0.0561641), wk = 0.0021097 k( 240) = ( 0.0000000 0.0000000 0.0449313), wk = 0.0021097 k( 241) = ( 0.0000000 0.0000000 0.0336984), wk = 0.0021097 k( 242) = ( 0.0000000 0.0000000 0.0224656), wk = 0.0021097 k( 243) = ( 0.0000000 0.0000000 0.0112328), wk = 0.0021097 k( 244) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 245) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 246) = ( -0.0098039 0.0056603 0.0000000), wk = 0.0021097 k( 247) = ( -0.0196078 0.0113205 0.0000000), wk = 0.0021097 k( 248) = ( -0.0294118 0.0169808 0.0000000), wk = 0.0021097 k( 249) = ( -0.0392157 0.0226411 0.0000000), wk = 0.0021097 k( 250) = ( -0.0490196 0.0283014 0.0000000), wk = 0.0021097 k( 251) = ( -0.0588235 0.0339617 0.0000000), wk = 0.0021097 k( 252) = ( -0.0686275 0.0396219 0.0000000), wk = 0.0021097 k( 253) = ( -0.0784314 0.0452822 0.0000000), wk = 0.0021097 k( 254) = ( -0.0882353 0.0509425 0.0000000), wk = 0.0021097 k( 255) = ( -0.0980392 0.0566028 0.0000000), wk = 0.0021097 k( 256) = ( -0.1078431 0.0622630 0.0000000), wk = 0.0021097 k( 257) = ( -0.1176471 0.0679233 0.0000000), wk = 0.0021097 k( 258) = ( -0.1274510 0.0735836 0.0000000), wk = 0.0021097 k( 259) = ( -0.1372549 0.0792439 0.0000000), wk = 0.0021097 k( 260) = ( -0.1470588 0.0849041 0.0000000), wk = 0.0021097 k( 261) = ( -0.1568627 0.0905644 0.0000000), wk = 0.0021097 k( 262) = ( -0.1666667 0.0962247 0.0000000), wk = 0.0021097 k( 263) = ( -0.1764706 0.1018850 0.0000000), wk = 0.0021097 k( 264) = ( -0.1862745 0.1075452 0.0000000), wk = 0.0021097 k( 265) = ( -0.1960784 0.1132055 0.0000000), wk = 0.0021097 k( 266) = ( -0.2058823 0.1188658 0.0000000), wk = 0.0021097 k( 267) = ( -0.2156863 0.1245261 0.0000000), wk = 0.0021097 k( 268) = ( -0.2254902 0.1301863 0.0000000), wk = 0.0021097 k( 269) = ( -0.2352941 0.1358466 0.0000000), wk = 0.0021097 k( 270) = ( -0.2450980 0.1415069 0.0000000), wk = 0.0021097 k( 271) = ( -0.2549020 0.1471672 0.0000000), wk = 0.0021097 k( 272) = ( -0.2647059 0.1528274 0.0000000), wk = 0.0021097 k( 273) = ( -0.2745098 0.1584877 0.0000000), wk = 0.0021097 k( 274) = ( -0.2843137 0.1641480 0.0000000), wk = 0.0021097 k( 275) = ( -0.2941177 0.1698083 0.0000000), wk = 0.0021097 k( 276) = ( -0.3039216 0.1754685 0.0000000), wk = 0.0021097 k( 277) = ( -0.3137255 0.1811288 0.0000000), wk = 0.0021097 k( 278) = ( -0.3235294 0.1867891 0.0000000), wk = 0.0021097 k( 279) = ( -0.3333333 0.1924494 0.0000000), wk = 0.0021097 k( 280) = ( -0.3431373 0.1981096 0.0000000), wk = 0.0021097 k( 281) = ( -0.3529412 0.2037699 0.0000000), wk = 0.0021097 k( 282) = ( -0.3627451 0.2094302 0.0000000), wk = 0.0021097 k( 283) = ( -0.3725490 0.2150905 0.0000000), wk = 0.0021097 k( 284) = ( -0.3823529 0.2207507 0.0000000), wk = 0.0021097 k( 285) = ( -0.3921569 0.2264110 0.0000000), wk = 0.0021097 k( 286) = ( -0.4019608 0.2320713 0.0000000), wk = 0.0021097 k( 287) = ( -0.4117647 0.2377316 0.0000000), wk = 0.0021097 k( 288) = ( -0.4215686 0.2433918 0.0000000), wk = 0.0021097 k( 289) = ( -0.4313726 0.2490521 0.0000000), wk = 0.0021097 k( 290) = ( -0.4411765 0.2547124 0.0000000), wk = 0.0021097 k( 291) = ( -0.4509804 0.2603727 0.0000000), wk = 0.0021097 k( 292) = ( -0.4607843 0.2660329 0.0000000), wk = 0.0021097 k( 293) = ( -0.4705882 0.2716932 0.0000000), wk = 0.0021097 k( 294) = ( -0.4803922 0.2773535 0.0000000), wk = 0.0021097 k( 295) = ( -0.4901961 0.2830138 0.0000000), wk = 0.0021097 k( 296) = ( -0.5000000 0.2886740 0.0000000), wk = 0.0021097 k( 297) = ( -0.5000000 0.2886740 0.0000000), wk = 0.0021097 k( 298) = ( -0.4942529 0.2986284 -0.0000000), wk = 0.0021097 k( 299) = ( -0.4885057 0.3085828 -0.0000000), wk = 0.0021097 k( 300) = ( -0.4827586 0.3185372 -0.0000000), wk = 0.0021097 k( 301) = ( -0.4770114 0.3284916 -0.0000000), wk = 0.0021097 k( 302) = ( -0.4712643 0.3384460 -0.0000000), wk = 0.0021097 k( 303) = ( -0.4655171 0.3484004 -0.0000000), wk = 0.0021097 k( 304) = ( -0.4597700 0.3583548 -0.0000000), wk = 0.0021097 k( 305) = ( -0.4540228 0.3683092 -0.0000000), wk = 0.0021097 k( 306) = ( -0.4482757 0.3782636 -0.0000000), wk = 0.0021097 k( 307) = ( -0.4425285 0.3882179 -0.0000000), wk = 0.0021097 k( 308) = ( -0.4367814 0.3981723 -0.0000000), wk = 0.0021097 k( 309) = ( -0.4310342 0.4081267 -0.0000000), wk = 0.0021097 k( 310) = ( -0.4252871 0.4180811 -0.0000000), wk = 0.0021097 k( 311) = ( -0.4195399 0.4280355 -0.0000000), wk = 0.0021097 k( 312) = ( -0.4137928 0.4379899 -0.0000000), wk = 0.0021097 k( 313) = ( -0.4080456 0.4479443 -0.0000000), wk = 0.0021097 k( 314) = ( -0.4022985 0.4578987 -0.0000000), wk = 0.0021097 k( 315) = ( -0.3965513 0.4678531 -0.0000000), wk = 0.0021097 k( 316) = ( -0.3908042 0.4778075 -0.0000000), wk = 0.0021097 k( 317) = ( -0.3850570 0.4877618 -0.0000000), wk = 0.0021097 k( 318) = ( -0.3793099 0.4977162 -0.0000000), wk = 0.0021097 k( 319) = ( -0.3735627 0.5076706 -0.0000000), wk = 0.0021097 k( 320) = ( -0.3678156 0.5176250 -0.0000000), wk = 0.0021097 k( 321) = ( -0.3620684 0.5275794 -0.0000000), wk = 0.0021097 k( 322) = ( -0.3563213 0.5375338 -0.0000000), wk = 0.0021097 k( 323) = ( -0.3505741 0.5474882 -0.0000000), wk = 0.0021097 k( 324) = ( -0.3448270 0.5574426 -0.0000000), wk = 0.0021097 k( 325) = ( -0.3390799 0.5673970 -0.0000000), wk = 0.0021097 k( 326) = ( -0.3333327 0.5773513 -0.0000000), wk = 0.0021097 k( 327) = ( -0.3333327 0.5773513 -0.0000000), wk = 0.0021097 k( 328) = ( -0.3333327 0.5773513 0.0112328), wk = 0.0021097 k( 329) = ( -0.3333327 0.5773513 0.0224656), wk = 0.0021097 k( 330) = ( -0.3333327 0.5773513 0.0336984), wk = 0.0021097 k( 331) = ( -0.3333327 0.5773513 0.0449313), wk = 0.0021097 k( 332) = ( -0.3333327 0.5773513 0.0561641), wk = 0.0021097 k( 333) = ( -0.3333327 0.5773513 0.0673969), wk = 0.0021097 k( 334) = ( -0.3333327 0.5773513 0.0786297), wk = 0.0021097 k( 335) = ( -0.3333327 0.5773513 0.0898625), wk = 0.0021097 k( 336) = ( -0.3333327 0.5773513 0.1010953), wk = 0.0021097 k( 337) = ( -0.3333327 0.5773513 0.1123282), wk = 0.0021097 k( 338) = ( -0.3333327 0.5773513 0.1235610), wk = 0.0021097 k( 339) = ( -0.3333327 0.5773513 0.1347938), wk = 0.0021097 k( 340) = ( -0.3333327 0.5773513 0.1460266), wk = 0.0021097 k( 341) = ( -0.3333327 0.5773513 0.1572594), wk = 0.0021097 k( 342) = ( -0.3333327 0.5773513 0.1684922), wk = 0.0021097 k( 343) = ( -0.3333327 0.5773513 0.1797250), wk = 0.0021097 k( 344) = ( -0.3333327 0.5773513 0.1909579), wk = 0.0021097 k( 345) = ( -0.3333327 0.5773513 0.2021907), wk = 0.0021097 k( 346) = ( -0.3333327 0.5773513 0.2134235), wk = 0.0021097 k( 347) = ( -0.3333327 0.5773513 0.2246563), wk = 0.0021097 k( 348) = ( -0.3333327 0.5773513 0.2358891), wk = 0.0021097 k( 349) = ( -0.3333327 0.5773513 0.2471219), wk = 0.0021097 k( 350) = ( -0.3333327 0.5773513 0.2583548), wk = 0.0021097 k( 351) = ( -0.3333327 0.5773513 0.2695876), wk = 0.0021097 k( 352) = ( -0.3333327 0.5773513 0.2808204), wk = 0.0021097 k( 353) = ( -0.3333327 0.5773513 0.2920532), wk = 0.0021097 k( 354) = ( -0.3333327 0.5773513 0.3032860), wk = 0.0021097 k( 355) = ( -0.3333327 0.5773513 0.3145188), wk = 0.0021097 k( 356) = ( -0.3333327 0.5773513 0.3257516), wk = 0.0021097 k( 357) = ( -0.3333327 0.5773513 0.3369845), wk = 0.0021097 k( 358) = ( -0.3333327 0.5773513 0.3482173), wk = 0.0021097 k( 359) = ( -0.3333327 0.5773513 0.3594501), wk = 0.0021097 k( 360) = ( -0.3333327 0.5773513 0.3594501), wk = 0.0021097 k( 361) = ( -0.3390799 0.5673970 0.3594501), wk = 0.0021097 k( 362) = ( -0.3448270 0.5574426 0.3594501), wk = 0.0021097 k( 363) = ( -0.3505741 0.5474882 0.3594501), wk = 0.0021097 k( 364) = ( -0.3563213 0.5375338 0.3594501), wk = 0.0021097 k( 365) = ( -0.3620684 0.5275794 0.3594501), wk = 0.0021097 k( 366) = ( -0.3678156 0.5176250 0.3594501), wk = 0.0021097 k( 367) = ( -0.3735627 0.5076706 0.3594501), wk = 0.0021097 k( 368) = ( -0.3793099 0.4977162 0.3594501), wk = 0.0021097 k( 369) = ( -0.3850570 0.4877618 0.3594501), wk = 0.0021097 k( 370) = ( -0.3908042 0.4778075 0.3594501), wk = 0.0021097 k( 371) = ( -0.3965513 0.4678531 0.3594501), wk = 0.0021097 k( 372) = ( -0.4022985 0.4578987 0.3594501), wk = 0.0021097 k( 373) = ( -0.4080456 0.4479443 0.3594501), wk = 0.0021097 k( 374) = ( -0.4137928 0.4379899 0.3594501), wk = 0.0021097 k( 375) = ( -0.4195399 0.4280355 0.3594501), wk = 0.0021097 k( 376) = ( -0.4252871 0.4180811 0.3594501), wk = 0.0021097 k( 377) = ( -0.4310342 0.4081267 0.3594501), wk = 0.0021097 k( 378) = ( -0.4367814 0.3981723 0.3594501), wk = 0.0021097 k( 379) = ( -0.4425285 0.3882179 0.3594501), wk = 0.0021097 k( 380) = ( -0.4482757 0.3782636 0.3594501), wk = 0.0021097 k( 381) = ( -0.4540228 0.3683092 0.3594501), wk = 0.0021097 k( 382) = ( -0.4597700 0.3583548 0.3594501), wk = 0.0021097 k( 383) = ( -0.4655171 0.3484004 0.3594501), wk = 0.0021097 k( 384) = ( -0.4712643 0.3384460 0.3594501), wk = 0.0021097 k( 385) = ( -0.4770114 0.3284916 0.3594501), wk = 0.0021097 k( 386) = ( -0.4827586 0.3185372 0.3594501), wk = 0.0021097 k( 387) = ( -0.4885057 0.3085828 0.3594501), wk = 0.0021097 k( 388) = ( -0.4942529 0.2986284 0.3594501), wk = 0.0021097 k( 389) = ( -0.5000000 0.2886740 0.3594501), wk = 0.0021097 k( 390) = ( -0.5000000 0.2886740 0.3594501), wk = 0.0021097 k( 391) = ( -0.5000000 0.2886740 0.3482173), wk = 0.0021097 k( 392) = ( -0.5000000 0.2886740 0.3369845), wk = 0.0021097 k( 393) = ( -0.5000000 0.2886740 0.3257516), wk = 0.0021097 k( 394) = ( -0.5000000 0.2886740 0.3145188), wk = 0.0021097 k( 395) = ( -0.5000000 0.2886740 0.3032860), wk = 0.0021097 k( 396) = ( -0.5000000 0.2886740 0.2920532), wk = 0.0021097 k( 397) = ( -0.5000000 0.2886740 0.2808204), wk = 0.0021097 k( 398) = ( -0.5000000 0.2886740 0.2695876), wk = 0.0021097 k( 399) = ( -0.5000000 0.2886740 0.2583548), wk = 0.0021097 k( 400) = ( -0.5000000 0.2886740 0.2471219), wk = 0.0021097 k( 401) = ( -0.5000000 0.2886740 0.2358891), wk = 0.0021097 k( 402) = ( -0.5000000 0.2886740 0.2246563), wk = 0.0021097 k( 403) = ( -0.5000000 0.2886740 0.2134235), wk = 0.0021097 k( 404) = ( -0.5000000 0.2886740 0.2021907), wk = 0.0021097 k( 405) = ( -0.5000000 0.2886740 0.1909579), wk = 0.0021097 k( 406) = ( -0.5000000 0.2886740 0.1797250), wk = 0.0021097 k( 407) = ( -0.5000000 0.2886740 0.1684922), wk = 0.0021097 k( 408) = ( -0.5000000 0.2886740 0.1572594), wk = 0.0021097 k( 409) = ( -0.5000000 0.2886740 0.1460266), wk = 0.0021097 k( 410) = ( -0.5000000 0.2886740 0.1347938), wk = 0.0021097 k( 411) = ( -0.5000000 0.2886740 0.1235610), wk = 0.0021097 k( 412) = ( -0.5000000 0.2886740 0.1123282), wk = 0.0021097 k( 413) = ( -0.5000000 0.2886740 0.1010953), wk = 0.0021097 k( 414) = ( -0.5000000 0.2886740 0.0898625), wk = 0.0021097 k( 415) = ( -0.5000000 0.2886740 0.0786297), wk = 0.0021097 k( 416) = ( -0.5000000 0.2886740 0.0673969), wk = 0.0021097 k( 417) = ( -0.5000000 0.2886740 0.0561641), wk = 0.0021097 k( 418) = ( -0.5000000 0.2886740 0.0449313), wk = 0.0021097 k( 419) = ( -0.5000000 0.2886740 0.0336984), wk = 0.0021097 k( 420) = ( -0.5000000 0.2886740 0.0224656), wk = 0.0021097 k( 421) = ( -0.5000000 0.2886740 0.0112328), wk = 0.0021097 k( 422) = ( -0.5000000 0.2886740 0.0000000), wk = 0.0021097 k( 423) = ( 0.0000000 0.0000000 0.3594501), wk = 0.0021097 k( 424) = ( -0.0098039 0.0056603 0.3594501), wk = 0.0021097 k( 425) = ( -0.0196078 0.0113205 0.3594501), wk = 0.0021097 k( 426) = ( -0.0294118 0.0169808 0.3594501), wk = 0.0021097 k( 427) = ( -0.0392157 0.0226411 0.3594501), wk = 0.0021097 k( 428) = ( -0.0490196 0.0283014 0.3594501), wk = 0.0021097 k( 429) = ( -0.0588235 0.0339617 0.3594501), wk = 0.0021097 k( 430) = ( -0.0686275 0.0396219 0.3594501), wk = 0.0021097 k( 431) = ( -0.0784314 0.0452822 0.3594501), wk = 0.0021097 k( 432) = ( -0.0882353 0.0509425 0.3594501), wk = 0.0021097 k( 433) = ( -0.0980392 0.0566028 0.3594501), wk = 0.0021097 k( 434) = ( -0.1078431 0.0622630 0.3594501), wk = 0.0021097 k( 435) = ( -0.1176471 0.0679233 0.3594501), wk = 0.0021097 k( 436) = ( -0.1274510 0.0735836 0.3594501), wk = 0.0021097 k( 437) = ( -0.1372549 0.0792439 0.3594501), wk = 0.0021097 k( 438) = ( -0.1470588 0.0849041 0.3594501), wk = 0.0021097 k( 439) = ( -0.1568627 0.0905644 0.3594501), wk = 0.0021097 k( 440) = ( -0.1666667 0.0962247 0.3594501), wk = 0.0021097 k( 441) = ( -0.1764706 0.1018850 0.3594501), wk = 0.0021097 k( 442) = ( -0.1862745 0.1075452 0.3594501), wk = 0.0021097 k( 443) = ( -0.1960784 0.1132055 0.3594501), wk = 0.0021097 k( 444) = ( -0.2058823 0.1188658 0.3594501), wk = 0.0021097 k( 445) = ( -0.2156863 0.1245261 0.3594501), wk = 0.0021097 k( 446) = ( -0.2254902 0.1301863 0.3594501), wk = 0.0021097 k( 447) = ( -0.2352941 0.1358466 0.3594501), wk = 0.0021097 k( 448) = ( -0.2450980 0.1415069 0.3594501), wk = 0.0021097 k( 449) = ( -0.2549020 0.1471672 0.3594501), wk = 0.0021097 k( 450) = ( -0.2647059 0.1528274 0.3594501), wk = 0.0021097 k( 451) = ( -0.2745098 0.1584877 0.3594501), wk = 0.0021097 k( 452) = ( -0.2843137 0.1641480 0.3594501), wk = 0.0021097 k( 453) = ( -0.2941177 0.1698083 0.3594501), wk = 0.0021097 k( 454) = ( -0.3039216 0.1754685 0.3594501), wk = 0.0021097 k( 455) = ( -0.3137255 0.1811288 0.3594501), wk = 0.0021097 k( 456) = ( -0.3235294 0.1867891 0.3594501), wk = 0.0021097 k( 457) = ( -0.3333333 0.1924494 0.3594501), wk = 0.0021097 k( 458) = ( -0.3431373 0.1981096 0.3594501), wk = 0.0021097 k( 459) = ( -0.3529412 0.2037699 0.3594501), wk = 0.0021097 k( 460) = ( -0.3627451 0.2094302 0.3594501), wk = 0.0021097 k( 461) = ( -0.3725490 0.2150905 0.3594501), wk = 0.0021097 k( 462) = ( -0.3823529 0.2207507 0.3594501), wk = 0.0021097 k( 463) = ( -0.3921569 0.2264110 0.3594501), wk = 0.0021097 k( 464) = ( -0.4019608 0.2320713 0.3594501), wk = 0.0021097 k( 465) = ( -0.4117647 0.2377316 0.3594501), wk = 0.0021097 k( 466) = ( -0.4215686 0.2433918 0.3594501), wk = 0.0021097 k( 467) = ( -0.4313726 0.2490521 0.3594501), wk = 0.0021097 k( 468) = ( -0.4411765 0.2547124 0.3594501), wk = 0.0021097 k( 469) = ( -0.4509804 0.2603727 0.3594501), wk = 0.0021097 k( 470) = ( -0.4607843 0.2660329 0.3594501), wk = 0.0021097 k( 471) = ( -0.4705882 0.2716932 0.3594501), wk = 0.0021097 k( 472) = ( -0.4803922 0.2773535 0.3594501), wk = 0.0021097 k( 473) = ( -0.4901961 0.2830138 0.3594501), wk = 0.0021097 k( 474) = ( -0.5000000 0.2886740 0.3594501), wk = 0.0021097 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 2) = ( 0.0057471 0.0057471 -0.0000000), wk = 0.0021097 k( 3) = ( 0.0114942 0.0114942 0.0000000), wk = 0.0021097 k( 4) = ( 0.0172413 0.0172413 0.0000000), wk = 0.0021097 k( 5) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0021097 k( 6) = ( 0.0287356 0.0287356 0.0000000), wk = 0.0021097 k( 7) = ( 0.0344827 0.0344827 0.0000000), wk = 0.0021097 k( 8) = ( 0.0402298 0.0402298 0.0000000), wk = 0.0021097 k( 9) = ( 0.0459769 0.0459769 0.0000000), wk = 0.0021097 k( 10) = ( 0.0517240 0.0517240 0.0000000), wk = 0.0021097 k( 11) = ( 0.0574712 0.0574712 0.0000000), wk = 0.0021097 k( 12) = ( 0.0632183 0.0632183 0.0000000), wk = 0.0021097 k( 13) = ( 0.0689654 0.0689654 0.0000000), wk = 0.0021097 k( 14) = ( 0.0747125 0.0747125 0.0000000), wk = 0.0021097 k( 15) = ( 0.0804596 0.0804596 0.0000000), wk = 0.0021097 k( 16) = ( 0.0862067 0.0862067 0.0000000), wk = 0.0021097 k( 17) = ( 0.0919539 0.0919539 -0.0000000), wk = 0.0021097 k( 18) = ( 0.0977010 0.0977010 0.0000000), wk = 0.0021097 k( 19) = ( 0.1034481 0.1034481 0.0000000), wk = 0.0021097 k( 20) = ( 0.1091952 0.1091952 0.0000000), wk = 0.0021097 k( 21) = ( 0.1149423 0.1149423 0.0000000), wk = 0.0021097 k( 22) = ( 0.1206894 0.1206894 0.0000000), wk = 0.0021097 k( 23) = ( 0.1264365 0.1264365 0.0000000), wk = 0.0021097 k( 24) = ( 0.1321837 0.1321837 0.0000000), wk = 0.0021097 k( 25) = ( 0.1379308 0.1379308 -0.0000000), wk = 0.0021097 k( 26) = ( 0.1436779 0.1436779 0.0000000), wk = 0.0021097 k( 27) = ( 0.1494250 0.1494250 0.0000000), wk = 0.0021097 k( 28) = ( 0.1551721 0.1551721 0.0000000), wk = 0.0021097 k( 29) = ( 0.1609192 0.1609192 0.0000000), wk = 0.0021097 k( 30) = ( 0.1666663 0.1666663 -0.0000000), wk = 0.0021097 k( 31) = ( 0.1724135 0.1724135 0.0000000), wk = 0.0021097 k( 32) = ( 0.1781606 0.1781606 0.0000000), wk = 0.0021097 k( 33) = ( 0.1839077 0.1839077 -0.0000000), wk = 0.0021097 k( 34) = ( 0.1896548 0.1896548 0.0000000), wk = 0.0021097 k( 35) = ( 0.1954019 0.1954019 0.0000000), wk = 0.0021097 k( 36) = ( 0.2011490 0.2011490 0.0000000), wk = 0.0021097 k( 37) = ( 0.2068962 0.2068962 0.0000000), wk = 0.0021097 k( 38) = ( 0.2126433 0.2126433 0.0000000), wk = 0.0021097 k( 39) = ( 0.2183904 0.2183904 -0.0000000), wk = 0.0021097 k( 40) = ( 0.2241375 0.2241375 -0.0000000), wk = 0.0021097 k( 41) = ( 0.2298846 0.2298846 0.0000000), wk = 0.0021097 k( 42) = ( 0.2356317 0.2356317 0.0000000), wk = 0.0021097 k( 43) = ( 0.2413789 0.2413789 0.0000000), wk = 0.0021097 k( 44) = ( 0.2471260 0.2471260 0.0000000), wk = 0.0021097 k( 45) = ( 0.2528731 0.2528731 0.0000000), wk = 0.0021097 k( 46) = ( 0.2586202 0.2586202 0.0000000), wk = 0.0021097 k( 47) = ( 0.2643673 0.2643673 0.0000000), wk = 0.0021097 k( 48) = ( 0.2701144 0.2701144 0.0000000), wk = 0.0021097 k( 49) = ( 0.2758616 0.2758616 0.0000000), wk = 0.0021097 k( 50) = ( 0.2816087 0.2816087 0.0000000), wk = 0.0021097 k( 51) = ( 0.2873558 0.2873558 0.0000000), wk = 0.0021097 k( 52) = ( 0.2931029 0.2931029 0.0000000), wk = 0.0021097 k( 53) = ( 0.2988500 0.2988500 -0.0000000), wk = 0.0021097 k( 54) = ( 0.3045971 0.3045971 0.0000000), wk = 0.0021097 k( 55) = ( 0.3103442 0.3103442 0.0000000), wk = 0.0021097 k( 56) = ( 0.3160914 0.3160914 0.0000000), wk = 0.0021097 k( 57) = ( 0.3218385 0.3218385 0.0000000), wk = 0.0021097 k( 58) = ( 0.3275856 0.3275856 -0.0000000), wk = 0.0021097 k( 59) = ( 0.3333327 0.3333327 0.0000000), wk = 0.0021097 k( 60) = ( 0.3333327 0.3333327 0.0000000), wk = 0.0021097 k( 61) = ( 0.3218385 0.3390799 0.0000000), wk = 0.0021097 k( 62) = ( 0.3103442 0.3448270 0.0000000), wk = 0.0021097 k( 63) = ( 0.2988500 0.3505742 0.0000000), wk = 0.0021097 k( 64) = ( 0.2873558 0.3563213 0.0000000), wk = 0.0021097 k( 65) = ( 0.2758616 0.3620684 -0.0000000), wk = 0.0021097 k( 66) = ( 0.2643673 0.3678156 -0.0000000), wk = 0.0021097 k( 67) = ( 0.2528731 0.3735627 0.0000000), wk = 0.0021097 k( 68) = ( 0.2413789 0.3793099 -0.0000000), wk = 0.0021097 k( 69) = ( 0.2298846 0.3850570 0.0000000), wk = 0.0021097 k( 70) = ( 0.2183904 0.3908042 0.0000000), wk = 0.0021097 k( 71) = ( 0.2068962 0.3965513 0.0000000), wk = 0.0021097 k( 72) = ( 0.1954019 0.4022985 0.0000000), wk = 0.0021097 k( 73) = ( 0.1839077 0.4080456 0.0000000), wk = 0.0021097 k( 74) = ( 0.1724135 0.4137928 0.0000000), wk = 0.0021097 k( 75) = ( 0.1609192 0.4195399 0.0000000), wk = 0.0021097 k( 76) = ( 0.1494250 0.4252871 0.0000000), wk = 0.0021097 k( 77) = ( 0.1379308 0.4310342 -0.0000000), wk = 0.0021097 k( 78) = ( 0.1264365 0.4367814 0.0000000), wk = 0.0021097 k( 79) = ( 0.1149423 0.4425285 -0.0000000), wk = 0.0021097 k( 80) = ( 0.1034481 0.4482757 0.0000000), wk = 0.0021097 k( 81) = ( 0.0919539 0.4540228 0.0000000), wk = 0.0021097 k( 82) = ( 0.0804596 0.4597700 -0.0000000), wk = 0.0021097 k( 83) = ( 0.0689654 0.4655171 0.0000000), wk = 0.0021097 k( 84) = ( 0.0574712 0.4712643 -0.0000000), wk = 0.0021097 k( 85) = ( 0.0459769 0.4770114 0.0000000), wk = 0.0021097 k( 86) = ( 0.0344827 0.4827586 -0.0000000), wk = 0.0021097 k( 87) = ( 0.0229885 0.4885057 -0.0000000), wk = 0.0021097 k( 88) = ( 0.0114942 0.4942528 -0.0000000), wk = 0.0021097 k( 89) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021097 k( 90) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021097 k( 91) = ( 0.0000000 0.5000000 0.0156250), wk = 0.0021097 k( 92) = ( 0.0000000 0.5000000 0.0312500), wk = 0.0021097 k( 93) = ( 0.0000000 0.5000000 0.0468750), wk = 0.0021097 k( 94) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0021097 k( 95) = ( 0.0000000 0.5000000 0.0781250), wk = 0.0021097 k( 96) = ( 0.0000000 0.5000000 0.0937500), wk = 0.0021097 k( 97) = ( 0.0000000 0.5000000 0.1093750), wk = 0.0021097 k( 98) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0021097 k( 99) = ( 0.0000000 0.5000000 0.1406250), wk = 0.0021097 k( 100) = ( 0.0000000 0.5000000 0.1562500), wk = 0.0021097 k( 101) = ( 0.0000000 0.5000000 0.1718750), wk = 0.0021097 k( 102) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0021097 k( 103) = ( 0.0000000 0.5000000 0.2031250), wk = 0.0021097 k( 104) = ( 0.0000000 0.5000000 0.2187500), wk = 0.0021097 k( 105) = ( 0.0000000 0.5000000 0.2343750), wk = 0.0021097 k( 106) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021097 k( 107) = ( 0.0000000 0.5000000 0.2656250), wk = 0.0021097 k( 108) = ( 0.0000000 0.5000000 0.2812500), wk = 0.0021097 k( 109) = ( 0.0000000 0.5000000 0.2968750), wk = 0.0021097 k( 110) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0021097 k( 111) = ( 0.0000000 0.5000000 0.3281250), wk = 0.0021097 k( 112) = ( 0.0000000 0.5000000 0.3437500), wk = 0.0021097 k( 113) = ( 0.0000000 0.5000000 0.3593750), wk = 0.0021097 k( 114) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0021097 k( 115) = ( 0.0000000 0.5000000 0.3906250), wk = 0.0021097 k( 116) = ( 0.0000000 0.5000000 0.4062500), wk = 0.0021097 k( 117) = ( 0.0000000 0.5000000 0.4218750), wk = 0.0021097 k( 118) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0021097 k( 119) = ( 0.0000000 0.5000000 0.4531250), wk = 0.0021097 k( 120) = ( 0.0000000 0.5000000 0.4687500), wk = 0.0021097 k( 121) = ( 0.0000000 0.5000000 0.4843750), wk = 0.0021097 k( 122) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021097 k( 123) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021097 k( 124) = ( 0.0114942 0.4942528 0.5000000), wk = 0.0021097 k( 125) = ( 0.0229885 0.4885057 0.5000000), wk = 0.0021097 k( 126) = ( 0.0344827 0.4827586 0.5000000), wk = 0.0021097 k( 127) = ( 0.0459769 0.4770114 0.5000000), wk = 0.0021097 k( 128) = ( 0.0574712 0.4712643 0.5000000), wk = 0.0021097 k( 129) = ( 0.0689654 0.4655171 0.5000000), wk = 0.0021097 k( 130) = ( 0.0804596 0.4597700 0.5000000), wk = 0.0021097 k( 131) = ( 0.0919539 0.4540228 0.5000000), wk = 0.0021097 k( 132) = ( 0.1034481 0.4482757 0.5000000), wk = 0.0021097 k( 133) = ( 0.1149423 0.4425285 0.5000000), wk = 0.0021097 k( 134) = ( 0.1264365 0.4367814 0.5000000), wk = 0.0021097 k( 135) = ( 0.1379308 0.4310342 0.5000000), wk = 0.0021097 k( 136) = ( 0.1494250 0.4252871 0.5000000), wk = 0.0021097 k( 137) = ( 0.1609192 0.4195399 0.5000000), wk = 0.0021097 k( 138) = ( 0.1724135 0.4137928 0.5000000), wk = 0.0021097 k( 139) = ( 0.1839077 0.4080456 0.5000000), wk = 0.0021097 k( 140) = ( 0.1954019 0.4022985 0.5000000), wk = 0.0021097 k( 141) = ( 0.2068962 0.3965513 0.5000000), wk = 0.0021097 k( 142) = ( 0.2183904 0.3908042 0.5000000), wk = 0.0021097 k( 143) = ( 0.2298846 0.3850570 0.5000000), wk = 0.0021097 k( 144) = ( 0.2413789 0.3793099 0.5000000), wk = 0.0021097 k( 145) = ( 0.2528731 0.3735627 0.5000000), wk = 0.0021097 k( 146) = ( 0.2643673 0.3678156 0.5000000), wk = 0.0021097 k( 147) = ( 0.2758616 0.3620684 0.5000000), wk = 0.0021097 k( 148) = ( 0.2873558 0.3563213 0.5000000), wk = 0.0021097 k( 149) = ( 0.2988500 0.3505742 0.5000000), wk = 0.0021097 k( 150) = ( 0.3103442 0.3448270 0.5000000), wk = 0.0021097 k( 151) = ( 0.3218385 0.3390799 0.5000000), wk = 0.0021097 k( 152) = ( 0.3333327 0.3333327 0.5000000), wk = 0.0021097 k( 153) = ( 0.3333327 0.3333327 0.5000000), wk = 0.0021097 k( 154) = ( 0.3275856 0.3275856 0.5000000), wk = 0.0021097 k( 155) = ( 0.3218385 0.3218385 0.5000000), wk = 0.0021097 k( 156) = ( 0.3160914 0.3160914 0.5000000), wk = 0.0021097 k( 157) = ( 0.3103442 0.3103442 0.5000000), wk = 0.0021097 k( 158) = ( 0.3045971 0.3045971 0.5000000), wk = 0.0021097 k( 159) = ( 0.2988500 0.2988500 0.5000000), wk = 0.0021097 k( 160) = ( 0.2931029 0.2931029 0.5000000), wk = 0.0021097 k( 161) = ( 0.2873558 0.2873558 0.5000000), wk = 0.0021097 k( 162) = ( 0.2816087 0.2816087 0.5000000), wk = 0.0021097 k( 163) = ( 0.2758616 0.2758616 0.5000000), wk = 0.0021097 k( 164) = ( 0.2701144 0.2701144 0.5000000), wk = 0.0021097 k( 165) = ( 0.2643673 0.2643673 0.5000000), wk = 0.0021097 k( 166) = ( 0.2586202 0.2586202 0.5000000), wk = 0.0021097 k( 167) = ( 0.2528731 0.2528731 0.5000000), wk = 0.0021097 k( 168) = ( 0.2471260 0.2471260 0.5000000), wk = 0.0021097 k( 169) = ( 0.2413789 0.2413789 0.5000000), wk = 0.0021097 k( 170) = ( 0.2356317 0.2356317 0.5000000), wk = 0.0021097 k( 171) = ( 0.2298846 0.2298846 0.5000000), wk = 0.0021097 k( 172) = ( 0.2241375 0.2241375 0.5000000), wk = 0.0021097 k( 173) = ( 0.2183904 0.2183904 0.5000000), wk = 0.0021097 k( 174) = ( 0.2126433 0.2126433 0.5000000), wk = 0.0021097 k( 175) = ( 0.2068962 0.2068962 0.5000000), wk = 0.0021097 k( 176) = ( 0.2011490 0.2011490 0.5000000), wk = 0.0021097 k( 177) = ( 0.1954019 0.1954019 0.5000000), wk = 0.0021097 k( 178) = ( 0.1896548 0.1896548 0.5000000), wk = 0.0021097 k( 179) = ( 0.1839077 0.1839077 0.5000000), wk = 0.0021097 k( 180) = ( 0.1781606 0.1781606 0.5000000), wk = 0.0021097 k( 181) = ( 0.1724135 0.1724135 0.5000000), wk = 0.0021097 k( 182) = ( 0.1666663 0.1666663 0.5000000), wk = 0.0021097 k( 183) = ( 0.1609192 0.1609192 0.5000000), wk = 0.0021097 k( 184) = ( 0.1551721 0.1551721 0.5000000), wk = 0.0021097 k( 185) = ( 0.1494250 0.1494250 0.5000000), wk = 0.0021097 k( 186) = ( 0.1436779 0.1436779 0.5000000), wk = 0.0021097 k( 187) = ( 0.1379308 0.1379308 0.5000000), wk = 0.0021097 k( 188) = ( 0.1321837 0.1321837 0.5000000), wk = 0.0021097 k( 189) = ( 0.1264365 0.1264365 0.5000000), wk = 0.0021097 k( 190) = ( 0.1206894 0.1206894 0.5000000), wk = 0.0021097 k( 191) = ( 0.1149423 0.1149423 0.5000000), wk = 0.0021097 k( 192) = ( 0.1091952 0.1091952 0.5000000), wk = 0.0021097 k( 193) = ( 0.1034481 0.1034481 0.5000000), wk = 0.0021097 k( 194) = ( 0.0977010 0.0977010 0.5000000), wk = 0.0021097 k( 195) = ( 0.0919539 0.0919539 0.5000000), wk = 0.0021097 k( 196) = ( 0.0862067 0.0862067 0.5000000), wk = 0.0021097 k( 197) = ( 0.0804596 0.0804596 0.5000000), wk = 0.0021097 k( 198) = ( 0.0747125 0.0747125 0.5000000), wk = 0.0021097 k( 199) = ( 0.0689654 0.0689654 0.5000000), wk = 0.0021097 k( 200) = ( 0.0632183 0.0632183 0.5000000), wk = 0.0021097 k( 201) = ( 0.0574712 0.0574712 0.5000000), wk = 0.0021097 k( 202) = ( 0.0517240 0.0517240 0.5000000), wk = 0.0021097 k( 203) = ( 0.0459769 0.0459769 0.5000000), wk = 0.0021097 k( 204) = ( 0.0402298 0.0402298 0.5000000), wk = 0.0021097 k( 205) = ( 0.0344827 0.0344827 0.5000000), wk = 0.0021097 k( 206) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0021097 k( 207) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0021097 k( 208) = ( 0.0172413 0.0172413 0.5000000), wk = 0.0021097 k( 209) = ( 0.0114942 0.0114942 0.5000000), wk = 0.0021097 k( 210) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0021097 k( 211) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021097 k( 212) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021097 k( 213) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0021097 k( 214) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0021097 k( 215) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0021097 k( 216) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0021097 k( 217) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0021097 k( 218) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0021097 k( 219) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0021097 k( 220) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021097 k( 221) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0021097 k( 222) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0021097 k( 223) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0021097 k( 224) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0021097 k( 225) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0021097 k( 226) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0021097 k( 227) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0021097 k( 228) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021097 k( 229) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0021097 k( 230) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0021097 k( 231) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0021097 k( 232) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0021097 k( 233) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0021097 k( 234) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0021097 k( 235) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0021097 k( 236) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021097 k( 237) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0021097 k( 238) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0021097 k( 239) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0021097 k( 240) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0021097 k( 241) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0021097 k( 242) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0021097 k( 243) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0021097 k( 244) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 245) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021097 k( 246) = ( -0.0098039 0.0098039 -0.0000000), wk = 0.0021097 k( 247) = ( -0.0196078 0.0196078 -0.0000000), wk = 0.0021097 k( 248) = ( -0.0294118 0.0294118 -0.0000000), wk = 0.0021097 k( 249) = ( -0.0392157 0.0392157 -0.0000000), wk = 0.0021097 k( 250) = ( -0.0490196 0.0490196 -0.0000000), wk = 0.0021097 k( 251) = ( -0.0588235 0.0588235 -0.0000000), wk = 0.0021097 k( 252) = ( -0.0686275 0.0686275 -0.0000000), wk = 0.0021097 k( 253) = ( -0.0784314 0.0784314 -0.0000000), wk = 0.0021097 k( 254) = ( -0.0882353 0.0882353 -0.0000000), wk = 0.0021097 k( 255) = ( -0.0980392 0.0980392 -0.0000000), wk = 0.0021097 k( 256) = ( -0.1078431 0.1078431 -0.0000000), wk = 0.0021097 k( 257) = ( -0.1176471 0.1176471 -0.0000000), wk = 0.0021097 k( 258) = ( -0.1274510 0.1274510 -0.0000000), wk = 0.0021097 k( 259) = ( -0.1372549 0.1372549 -0.0000000), wk = 0.0021097 k( 260) = ( -0.1470588 0.1470588 -0.0000000), wk = 0.0021097 k( 261) = ( -0.1568627 0.1568627 -0.0000000), wk = 0.0021097 k( 262) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0021097 k( 263) = ( -0.1764706 0.1764706 -0.0000000), wk = 0.0021097 k( 264) = ( -0.1862745 0.1862745 -0.0000000), wk = 0.0021097 k( 265) = ( -0.1960784 0.1960784 -0.0000000), wk = 0.0021097 k( 266) = ( -0.2058823 0.2058823 -0.0000000), wk = 0.0021097 k( 267) = ( -0.2156863 0.2156863 -0.0000000), wk = 0.0021097 k( 268) = ( -0.2254902 0.2254902 -0.0000000), wk = 0.0021097 k( 269) = ( -0.2352941 0.2352941 -0.0000000), wk = 0.0021097 k( 270) = ( -0.2450980 0.2450980 -0.0000000), wk = 0.0021097 k( 271) = ( -0.2549020 0.2549020 -0.0000000), wk = 0.0021097 k( 272) = ( -0.2647059 0.2647059 -0.0000000), wk = 0.0021097 k( 273) = ( -0.2745098 0.2745098 -0.0000000), wk = 0.0021097 k( 274) = ( -0.2843137 0.2843137 -0.0000000), wk = 0.0021097 k( 275) = ( -0.2941177 0.2941176 -0.0000000), wk = 0.0021097 k( 276) = ( -0.3039216 0.3039216 -0.0000000), wk = 0.0021097 k( 277) = ( -0.3137255 0.3137255 -0.0000000), wk = 0.0021097 k( 278) = ( -0.3235294 0.3235294 -0.0000000), wk = 0.0021097 k( 279) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0021097 k( 280) = ( -0.3431373 0.3431372 -0.0000000), wk = 0.0021097 k( 281) = ( -0.3529412 0.3529412 -0.0000000), wk = 0.0021097 k( 282) = ( -0.3627451 0.3627451 -0.0000000), wk = 0.0021097 k( 283) = ( -0.3725490 0.3725490 -0.0000000), wk = 0.0021097 k( 284) = ( -0.3823529 0.3823529 -0.0000000), wk = 0.0021097 k( 285) = ( -0.3921569 0.3921569 -0.0000000), wk = 0.0021097 k( 286) = ( -0.4019608 0.4019608 -0.0000000), wk = 0.0021097 k( 287) = ( -0.4117647 0.4117647 -0.0000000), wk = 0.0021097 k( 288) = ( -0.4215686 0.4215686 -0.0000000), wk = 0.0021097 k( 289) = ( -0.4313726 0.4313725 -0.0000000), wk = 0.0021097 k( 290) = ( -0.4411765 0.4411765 -0.0000000), wk = 0.0021097 k( 291) = ( -0.4509804 0.4509804 -0.0000000), wk = 0.0021097 k( 292) = ( -0.4607843 0.4607843 -0.0000000), wk = 0.0021097 k( 293) = ( -0.4705882 0.4705882 -0.0000000), wk = 0.0021097 k( 294) = ( -0.4803922 0.4803922 -0.0000000), wk = 0.0021097 k( 295) = ( -0.4901961 0.4901961 -0.0000000), wk = 0.0021097 k( 296) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021097 k( 297) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021097 k( 298) = ( -0.4942529 0.5057471 -0.0000000), wk = 0.0021097 k( 299) = ( -0.4885057 0.5114943 -0.0000000), wk = 0.0021097 k( 300) = ( -0.4827586 0.5172414 -0.0000000), wk = 0.0021097 k( 301) = ( -0.4770114 0.5229886 -0.0000000), wk = 0.0021097 k( 302) = ( -0.4712643 0.5287357 -0.0000000), wk = 0.0021097 k( 303) = ( -0.4655171 0.5344829 -0.0000000), wk = 0.0021097 k( 304) = ( -0.4597700 0.5402300 -0.0000000), wk = 0.0021097 k( 305) = ( -0.4540228 0.5459772 -0.0000000), wk = 0.0021097 k( 306) = ( -0.4482757 0.5517243 -0.0000000), wk = 0.0021097 k( 307) = ( -0.4425285 0.5574715 -0.0000000), wk = 0.0021097 k( 308) = ( -0.4367814 0.5632186 -0.0000000), wk = 0.0021097 k( 309) = ( -0.4310342 0.5689658 -0.0000000), wk = 0.0021097 k( 310) = ( -0.4252871 0.5747129 -0.0000000), wk = 0.0021097 k( 311) = ( -0.4195399 0.5804601 -0.0000000), wk = 0.0021097 k( 312) = ( -0.4137928 0.5862072 -0.0000000), wk = 0.0021097 k( 313) = ( -0.4080456 0.5919544 -0.0000000), wk = 0.0021097 k( 314) = ( -0.4022985 0.5977015 -0.0000000), wk = 0.0021097 k( 315) = ( -0.3965513 0.6034487 -0.0000000), wk = 0.0021097 k( 316) = ( -0.3908042 0.6091958 -0.0000000), wk = 0.0021097 k( 317) = ( -0.3850570 0.6149430 -0.0000000), wk = 0.0021097 k( 318) = ( -0.3793099 0.6206901 -0.0000000), wk = 0.0021097 k( 319) = ( -0.3735627 0.6264373 -0.0000000), wk = 0.0021097 k( 320) = ( -0.3678156 0.6321844 -0.0000000), wk = 0.0021097 k( 321) = ( -0.3620684 0.6379316 -0.0000000), wk = 0.0021097 k( 322) = ( -0.3563213 0.6436787 -0.0000000), wk = 0.0021097 k( 323) = ( -0.3505741 0.6494258 -0.0000000), wk = 0.0021097 k( 324) = ( -0.3448270 0.6551730 -0.0000000), wk = 0.0021097 k( 325) = ( -0.3390799 0.6609202 -0.0000000), wk = 0.0021097 k( 326) = ( -0.3333327 0.6666673 -0.0000000), wk = 0.0021097 k( 327) = ( -0.3333327 0.6666673 -0.0000000), wk = 0.0021097 k( 328) = ( -0.3333327 0.6666673 0.0156250), wk = 0.0021097 k( 329) = ( -0.3333327 0.6666673 0.0312500), wk = 0.0021097 k( 330) = ( -0.3333327 0.6666673 0.0468750), wk = 0.0021097 k( 331) = ( -0.3333327 0.6666673 0.0625000), wk = 0.0021097 k( 332) = ( -0.3333327 0.6666673 0.0781250), wk = 0.0021097 k( 333) = ( -0.3333327 0.6666673 0.0937500), wk = 0.0021097 k( 334) = ( -0.3333327 0.6666673 0.1093750), wk = 0.0021097 k( 335) = ( -0.3333327 0.6666673 0.1250000), wk = 0.0021097 k( 336) = ( -0.3333327 0.6666673 0.1406250), wk = 0.0021097 k( 337) = ( -0.3333327 0.6666673 0.1562500), wk = 0.0021097 k( 338) = ( -0.3333327 0.6666673 0.1718750), wk = 0.0021097 k( 339) = ( -0.3333327 0.6666673 0.1875000), wk = 0.0021097 k( 340) = ( -0.3333327 0.6666673 0.2031250), wk = 0.0021097 k( 341) = ( -0.3333327 0.6666673 0.2187500), wk = 0.0021097 k( 342) = ( -0.3333327 0.6666673 0.2343750), wk = 0.0021097 k( 343) = ( -0.3333327 0.6666673 0.2500000), wk = 0.0021097 k( 344) = ( -0.3333327 0.6666673 0.2656250), wk = 0.0021097 k( 345) = ( -0.3333327 0.6666673 0.2812500), wk = 0.0021097 k( 346) = ( -0.3333327 0.6666673 0.2968750), wk = 0.0021097 k( 347) = ( -0.3333327 0.6666673 0.3125000), wk = 0.0021097 k( 348) = ( -0.3333327 0.6666673 0.3281250), wk = 0.0021097 k( 349) = ( -0.3333327 0.6666673 0.3437500), wk = 0.0021097 k( 350) = ( -0.3333327 0.6666673 0.3593750), wk = 0.0021097 k( 351) = ( -0.3333327 0.6666673 0.3750000), wk = 0.0021097 k( 352) = ( -0.3333327 0.6666673 0.3906250), wk = 0.0021097 k( 353) = ( -0.3333327 0.6666673 0.4062500), wk = 0.0021097 k( 354) = ( -0.3333327 0.6666673 0.4218750), wk = 0.0021097 k( 355) = ( -0.3333327 0.6666673 0.4375000), wk = 0.0021097 k( 356) = ( -0.3333327 0.6666673 0.4531250), wk = 0.0021097 k( 357) = ( -0.3333327 0.6666673 0.4687500), wk = 0.0021097 k( 358) = ( -0.3333327 0.6666673 0.4843750), wk = 0.0021097 k( 359) = ( -0.3333327 0.6666673 0.5000000), wk = 0.0021097 k( 360) = ( -0.3333327 0.6666673 0.5000000), wk = 0.0021097 k( 361) = ( -0.3390799 0.6609202 0.5000000), wk = 0.0021097 k( 362) = ( -0.3448270 0.6551730 0.5000000), wk = 0.0021097 k( 363) = ( -0.3505741 0.6494258 0.5000000), wk = 0.0021097 k( 364) = ( -0.3563213 0.6436787 0.5000000), wk = 0.0021097 k( 365) = ( -0.3620684 0.6379316 0.5000000), wk = 0.0021097 k( 366) = ( -0.3678156 0.6321844 0.5000000), wk = 0.0021097 k( 367) = ( -0.3735627 0.6264373 0.5000000), wk = 0.0021097 k( 368) = ( -0.3793099 0.6206901 0.5000000), wk = 0.0021097 k( 369) = ( -0.3850570 0.6149430 0.5000000), wk = 0.0021097 k( 370) = ( -0.3908042 0.6091958 0.5000000), wk = 0.0021097 k( 371) = ( -0.3965513 0.6034487 0.5000000), wk = 0.0021097 k( 372) = ( -0.4022985 0.5977015 0.5000000), wk = 0.0021097 k( 373) = ( -0.4080456 0.5919544 0.5000000), wk = 0.0021097 k( 374) = ( -0.4137928 0.5862072 0.5000000), wk = 0.0021097 k( 375) = ( -0.4195399 0.5804601 0.5000000), wk = 0.0021097 k( 376) = ( -0.4252871 0.5747129 0.5000000), wk = 0.0021097 k( 377) = ( -0.4310342 0.5689658 0.5000000), wk = 0.0021097 k( 378) = ( -0.4367814 0.5632186 0.5000000), wk = 0.0021097 k( 379) = ( -0.4425285 0.5574715 0.5000000), wk = 0.0021097 k( 380) = ( -0.4482757 0.5517243 0.5000000), wk = 0.0021097 k( 381) = ( -0.4540228 0.5459772 0.5000000), wk = 0.0021097 k( 382) = ( -0.4597700 0.5402300 0.5000000), wk = 0.0021097 k( 383) = ( -0.4655171 0.5344829 0.5000000), wk = 0.0021097 k( 384) = ( -0.4712643 0.5287357 0.5000000), wk = 0.0021097 k( 385) = ( -0.4770114 0.5229886 0.5000000), wk = 0.0021097 k( 386) = ( -0.4827586 0.5172414 0.5000000), wk = 0.0021097 k( 387) = ( -0.4885057 0.5114943 0.5000000), wk = 0.0021097 k( 388) = ( -0.4942529 0.5057471 0.5000000), wk = 0.0021097 k( 389) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021097 k( 390) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021097 k( 391) = ( -0.5000000 0.5000000 0.4843750), wk = 0.0021097 k( 392) = ( -0.5000000 0.5000000 0.4687500), wk = 0.0021097 k( 393) = ( -0.5000000 0.5000000 0.4531250), wk = 0.0021097 k( 394) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0021097 k( 395) = ( -0.5000000 0.5000000 0.4218750), wk = 0.0021097 k( 396) = ( -0.5000000 0.5000000 0.4062500), wk = 0.0021097 k( 397) = ( -0.5000000 0.5000000 0.3906250), wk = 0.0021097 k( 398) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0021097 k( 399) = ( -0.5000000 0.5000000 0.3593750), wk = 0.0021097 k( 400) = ( -0.5000000 0.5000000 0.3437500), wk = 0.0021097 k( 401) = ( -0.5000000 0.5000000 0.3281250), wk = 0.0021097 k( 402) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0021097 k( 403) = ( -0.5000000 0.5000000 0.2968750), wk = 0.0021097 k( 404) = ( -0.5000000 0.5000000 0.2812500), wk = 0.0021097 k( 405) = ( -0.5000000 0.5000000 0.2656250), wk = 0.0021097 k( 406) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0021097 k( 407) = ( -0.5000000 0.5000000 0.2343750), wk = 0.0021097 k( 408) = ( -0.5000000 0.5000000 0.2187500), wk = 0.0021097 k( 409) = ( -0.5000000 0.5000000 0.2031250), wk = 0.0021097 k( 410) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0021097 k( 411) = ( -0.5000000 0.5000000 0.1718750), wk = 0.0021097 k( 412) = ( -0.5000000 0.5000000 0.1562500), wk = 0.0021097 k( 413) = ( -0.5000000 0.5000000 0.1406250), wk = 0.0021097 k( 414) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0021097 k( 415) = ( -0.5000000 0.5000000 0.1093750), wk = 0.0021097 k( 416) = ( -0.5000000 0.5000000 0.0937500), wk = 0.0021097 k( 417) = ( -0.5000000 0.5000000 0.0781250), wk = 0.0021097 k( 418) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0021097 k( 419) = ( -0.5000000 0.5000000 0.0468750), wk = 0.0021097 k( 420) = ( -0.5000000 0.5000000 0.0312500), wk = 0.0021097 k( 421) = ( -0.5000000 0.5000000 0.0156250), wk = 0.0021097 k( 422) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021097 k( 423) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021097 k( 424) = ( -0.0098039 0.0098039 0.5000000), wk = 0.0021097 k( 425) = ( -0.0196078 0.0196078 0.5000000), wk = 0.0021097 k( 426) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0021097 k( 427) = ( -0.0392157 0.0392157 0.5000000), wk = 0.0021097 k( 428) = ( -0.0490196 0.0490196 0.5000000), wk = 0.0021097 k( 429) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0021097 k( 430) = ( -0.0686275 0.0686275 0.5000000), wk = 0.0021097 k( 431) = ( -0.0784314 0.0784314 0.5000000), wk = 0.0021097 k( 432) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0021097 k( 433) = ( -0.0980392 0.0980392 0.5000000), wk = 0.0021097 k( 434) = ( -0.1078431 0.1078431 0.5000000), wk = 0.0021097 k( 435) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0021097 k( 436) = ( -0.1274510 0.1274510 0.5000000), wk = 0.0021097 k( 437) = ( -0.1372549 0.1372549 0.5000000), wk = 0.0021097 k( 438) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0021097 k( 439) = ( -0.1568627 0.1568627 0.5000000), wk = 0.0021097 k( 440) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0021097 k( 441) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0021097 k( 442) = ( -0.1862745 0.1862745 0.5000000), wk = 0.0021097 k( 443) = ( -0.1960784 0.1960784 0.5000000), wk = 0.0021097 k( 444) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0021097 k( 445) = ( -0.2156863 0.2156863 0.5000000), wk = 0.0021097 k( 446) = ( -0.2254902 0.2254902 0.5000000), wk = 0.0021097 k( 447) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0021097 k( 448) = ( -0.2450980 0.2450980 0.5000000), wk = 0.0021097 k( 449) = ( -0.2549020 0.2549020 0.5000000), wk = 0.0021097 k( 450) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0021097 k( 451) = ( -0.2745098 0.2745098 0.5000000), wk = 0.0021097 k( 452) = ( -0.2843137 0.2843137 0.5000000), wk = 0.0021097 k( 453) = ( -0.2941177 0.2941176 0.5000000), wk = 0.0021097 k( 454) = ( -0.3039216 0.3039216 0.5000000), wk = 0.0021097 k( 455) = ( -0.3137255 0.3137255 0.5000000), wk = 0.0021097 k( 456) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0021097 k( 457) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0021097 k( 458) = ( -0.3431373 0.3431372 0.5000000), wk = 0.0021097 k( 459) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0021097 k( 460) = ( -0.3627451 0.3627451 0.5000000), wk = 0.0021097 k( 461) = ( -0.3725490 0.3725490 0.5000000), wk = 0.0021097 k( 462) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0021097 k( 463) = ( -0.3921569 0.3921569 0.5000000), wk = 0.0021097 k( 464) = ( -0.4019608 0.4019608 0.5000000), wk = 0.0021097 k( 465) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0021097 k( 466) = ( -0.4215686 0.4215686 0.5000000), wk = 0.0021097 k( 467) = ( -0.4313726 0.4313725 0.5000000), wk = 0.0021097 k( 468) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0021097 k( 469) = ( -0.4509804 0.4509804 0.5000000), wk = 0.0021097 k( 470) = ( -0.4607843 0.4607843 0.5000000), wk = 0.0021097 k( 471) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0021097 k( 472) = ( -0.4803922 0.4803922 0.5000000), wk = 0.0021097 k( 473) = ( -0.4901961 0.4901961 0.5000000), wk = 0.0021097 k( 474) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021097 Dense grid: 23603 G-vectors FFT dimensions: ( 36, 36, 48) Smooth grid: 14205 G-vectors FFT dimensions: ( 30, 30, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 88, 38) NL pseudopotentials 0.06 Mb ( 44, 96) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 496) G-vector shells 0.00 Mb ( 256) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.20 Mb ( 88, 152) Each subspace H/S matrix 0.35 Mb ( 152, 152) Each matrix 0.11 Mb ( 96, 2, 38) The potential is recalculated from file : ./NiAs.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.3 secs Computing kpt #: 2 total cpu time spent up to now is 41.9 secs Computing kpt #: 3 total cpu time spent up to now is 42.5 secs Computing kpt #: 4 total cpu time spent up to now is 43.1 secs Computing kpt #: 5 total cpu time spent up to now is 43.7 secs Computing kpt #: 6 total cpu time spent up to now is 44.3 secs Computing kpt #: 7 total cpu time spent up to now is 44.8 secs Computing kpt #: 8 total cpu time spent up to now is 45.4 secs Computing kpt #: 9 total cpu time spent up to now is 46.2 secs Computing kpt #: 10 total cpu time spent up to now is 46.8 secs Computing kpt #: 11 total cpu time spent up to now is 47.3 secs Computing kpt #: 12 total cpu time spent up to now is 47.9 secs Computing kpt #: 13 total cpu time spent up to now is 48.5 secs Computing kpt #: 14 total cpu time spent up to now is 49.1 secs Computing kpt #: 15 total cpu time spent up to now is 49.7 secs Computing kpt #: 16 total cpu time spent up to now is 50.4 secs Computing kpt #: 17 total cpu time spent up to now is 51.1 secs Computing kpt #: 18 total cpu time spent up to now is 51.9 secs Computing kpt #: 19 total cpu time spent up to now is 52.6 secs Computing kpt #: 20 total cpu time spent up to now is 53.3 secs Computing kpt #: 21 total cpu time spent up to now is 54.1 secs Computing kpt #: 22 total cpu time spent up to now is 54.9 secs Computing kpt #: 23 total cpu time spent up to now is 55.7 secs Computing kpt #: 24 total cpu time spent up to now is 56.7 secs Computing kpt #: 25 total cpu time spent up to now is 57.8 secs Computing kpt #: 26 total cpu time spent up to now is 58.7 secs Computing kpt #: 27 total cpu time spent up to now is 59.5 secs Computing kpt #: 28 total cpu time spent up to now is 60.2 secs Computing kpt #: 29 total cpu time spent up to now is 60.9 secs Computing kpt #: 30 total cpu time spent up to now is 61.5 secs Computing kpt #: 31 total cpu time spent up to now is 62.2 secs Computing kpt #: 32 total cpu time spent up to now is 62.9 secs Computing kpt #: 33 total cpu time spent up to now is 63.6 secs Computing kpt #: 34 total cpu time spent up to now is 64.2 secs Computing kpt #: 35 total cpu time spent up to now is 64.8 secs Computing kpt #: 36 total cpu time spent up to now is 65.3 secs Computing kpt #: 37 total cpu time spent up to now is 65.9 secs Computing kpt #: 38 total cpu time spent up to now is 66.4 secs Computing kpt #: 39 total cpu time spent up to now is 67.0 secs Computing kpt #: 40 total cpu time spent up to now is 67.5 secs Computing kpt #: 41 total cpu time spent up to now is 68.0 secs Computing kpt #: 42 total cpu time spent up to now is 68.6 secs Computing kpt #: 43 total cpu time spent up to now is 69.2 secs Computing kpt #: 44 total cpu time spent up to now is 69.7 secs Computing kpt #: 45 total cpu time spent up to now is 70.3 secs Computing kpt #: 46 total cpu time spent up to now is 70.8 secs Computing kpt #: 47 total cpu time spent up to now is 71.3 secs Computing kpt #: 48 total cpu time spent up to now is 71.8 secs Computing kpt #: 49 total cpu time spent up to now is 72.3 secs Computing kpt #: 50 total cpu time spent up to now is 72.8 secs Computing kpt #: 51 total cpu time spent up to now is 73.3 secs Computing kpt #: 52 total cpu time spent up to now is 73.8 secs Computing kpt #: 53 total cpu time spent up to now is 74.3 secs Computing kpt #: 54 total cpu time spent up to now is 74.8 secs Computing kpt #: 55 total cpu time spent up to now is 75.3 secs Computing kpt #: 56 total cpu time spent up to now is 75.8 secs Computing kpt #: 57 total cpu time spent up to now is 76.3 secs Computing kpt #: 58 total cpu time spent up to now is 76.8 secs Computing kpt #: 59 total cpu time spent up to now is 77.3 secs Computing kpt #: 60 total cpu time spent up to now is 77.7 secs Computing kpt #: 61 total cpu time spent up to now is 78.2 secs Computing kpt #: 62 total cpu time spent up to now is 78.7 secs Computing kpt #: 63 total cpu time spent up to now is 79.2 secs Computing kpt #: 64 total cpu time spent up to now is 79.6 secs Computing kpt #: 65 total cpu time spent up to now is 80.1 secs Computing kpt #: 66 total cpu time spent up to now is 80.7 secs Computing kpt #: 67 total cpu time spent up to now is 81.2 secs Computing kpt #: 68 total cpu time spent up to now is 81.7 secs Computing kpt #: 69 total cpu time spent up to now is 82.2 secs Computing kpt #: 70 total cpu time spent up to now is 82.8 secs Computing kpt #: 71 total cpu time spent up to now is 83.3 secs Computing kpt #: 72 total cpu time spent up to now is 83.9 secs Computing kpt #: 73 total cpu time spent up to now is 84.5 secs Computing kpt #: 74 total cpu time spent up to now is 85.1 secs Computing kpt #: 75 total cpu time spent up to now is 85.7 secs Computing kpt #: 76 total cpu time spent up to now is 86.2 secs Computing kpt #: 77 total cpu time spent up to now is 87.0 secs Computing kpt #: 78 total cpu time spent up to now is 87.7 secs Computing kpt #: 79 total cpu time spent up to now is 88.4 secs Computing kpt #: 80 total cpu time spent up to now is 89.1 secs Computing kpt #: 81 total cpu time spent up to now is 89.9 secs Computing kpt #: 82 total cpu time spent up to now is 90.6 secs Computing kpt #: 83 total cpu time spent up to now is 91.4 secs Computing kpt #: 84 total cpu time spent up to now is 92.2 secs Computing kpt #: 85 total cpu time spent up to now is 93.0 secs Computing kpt #: 86 total cpu time spent up to now is 93.7 secs Computing kpt #: 87 total cpu time spent up to now is 94.3 secs Computing kpt #: 88 total cpu time spent up to now is 95.0 secs Computing kpt #: 89 total cpu time spent up to now is 95.7 secs Computing kpt #: 90 total cpu time spent up to now is 96.4 secs Computing kpt #: 91 total cpu time spent up to now is 97.1 secs Computing kpt #: 92 total cpu time spent up to now is 97.8 secs Computing kpt #: 93 total cpu time spent up to now is 98.5 secs Computing kpt #: 94 total cpu time spent up to now is 99.3 secs Computing kpt #: 95 total cpu time spent up to now is 100.1 secs Computing kpt #: 96 total cpu time spent up to now is 100.9 secs Computing kpt #: 97 total cpu time spent up to now is 101.7 secs Computing kpt #: 98 total cpu time spent up to now is 102.4 secs Computing kpt #: 99 total cpu time spent up to now is 103.1 secs Computing kpt #: 100 total cpu time spent up to now is 103.8 secs Computing kpt #: 101 total cpu time spent up to now is 104.5 secs Computing kpt #: 102 total cpu time spent up to now is 105.2 secs Computing kpt #: 103 total cpu time spent up to now is 105.8 secs Computing kpt #: 104 total cpu time spent up to now is 106.5 secs Computing kpt #: 105 total cpu time spent up to now is 107.1 secs Computing kpt #: 106 total cpu time spent up to now is 107.7 secs Computing kpt #: 107 total cpu time spent up to now is 108.4 secs Computing kpt #: 108 total cpu time spent up to now is 109.0 secs Computing kpt #: 109 total cpu time spent up to now is 109.7 secs Computing kpt #: 110 total cpu time spent up to now is 110.2 secs Computing kpt #: 111 total cpu time spent up to now is 110.9 secs Computing kpt #: 112 total cpu time spent up to now is 111.5 secs Computing kpt #: 113 total cpu time spent up to now is 112.2 secs Computing kpt #: 114 total cpu time spent up to now is 112.8 secs Computing kpt #: 115 total cpu time spent up to now is 113.5 secs Computing kpt #: 116 total cpu time spent up to now is 114.2 secs Computing kpt #: 117 total cpu time spent up to now is 114.9 secs Computing kpt #: 118 total cpu time spent up to now is 115.6 secs Computing kpt #: 119 total cpu time spent up to now is 116.4 secs Computing kpt #: 120 total cpu time spent up to now is 117.1 secs Computing kpt #: 121 total cpu time spent up to now is 117.9 secs Computing kpt #: 122 total cpu time spent up to now is 118.8 secs Computing kpt #: 123 total cpu time spent up to now is 119.8 secs Computing kpt #: 124 total cpu time spent up to now is 120.6 secs Computing kpt #: 125 total cpu time spent up to now is 121.6 secs Computing kpt #: 126 total cpu time spent up to now is 122.5 secs Computing kpt #: 127 total cpu time spent up to now is 123.4 secs Computing kpt #: 128 total cpu time spent up to now is 124.3 secs Computing kpt #: 129 total cpu time spent up to now is 125.2 secs Computing kpt #: 130 total cpu time spent up to now is 126.1 secs Computing kpt #: 131 total cpu time spent up to now is 126.8 secs Computing kpt #: 132 total cpu time spent up to now is 127.6 secs Computing kpt #: 133 total cpu time spent up to now is 128.3 secs Computing kpt #: 134 total cpu time spent up to now is 129.1 secs Computing kpt #: 135 total cpu time spent up to now is 129.9 secs Computing kpt #: 136 total cpu time spent up to now is 130.7 secs Computing kpt #: 137 total cpu time spent up to now is 131.4 secs Computing kpt #: 138 total cpu time spent up to now is 132.4 secs Computing kpt #: 139 total cpu time spent up to now is 133.2 secs Computing kpt #: 140 total cpu time spent up to now is 134.1 secs Computing kpt #: 141 total cpu time spent up to now is 135.1 secs Computing kpt #: 142 total cpu time spent up to now is 136.3 secs Computing kpt #: 143 total cpu time spent up to now is 137.5 secs Computing kpt #: 144 total cpu time spent up to now is 138.7 secs Computing kpt #: 145 total cpu time spent up to now is 139.8 secs Computing kpt #: 146 total cpu time spent up to now is 140.9 secs Computing kpt #: 147 total cpu time spent up to now is 142.1 secs Computing kpt #: 148 total cpu time spent up to now is 143.2 secs Computing kpt #: 149 total cpu time spent up to now is 144.1 secs Computing kpt #: 150 total cpu time spent up to now is 145.2 secs Computing kpt #: 151 total cpu time spent up to now is 146.1 secs Computing kpt #: 152 total cpu time spent up to now is 147.0 secs Computing kpt #: 153 total cpu time spent up to now is 148.0 secs Computing kpt #: 154 total cpu time spent up to now is 149.0 secs Computing kpt #: 155 total cpu time spent up to now is 150.1 secs Computing kpt #: 156 total cpu time spent up to now is 151.2 secs Computing kpt #: 157 total cpu time spent up to now is 152.4 secs Computing kpt #: 158 total cpu time spent up to now is 153.6 secs Computing kpt #: 159 total cpu time spent up to now is 154.7 secs Computing kpt #: 160 total cpu time spent up to now is 155.9 secs Computing kpt #: 161 total cpu time spent up to now is 157.0 secs Computing kpt #: 162 total cpu time spent up to now is 158.2 secs Computing kpt #: 163 total cpu time spent up to now is 159.4 secs Computing kpt #: 164 total cpu time spent up to now is 160.8 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.6 secs Computing kpt #: 166 total cpu time spent up to now is 164.1 secs Computing kpt #: 167 total cpu time spent up to now is 165.3 secs Computing kpt #: 168 total cpu time spent up to now is 166.5 secs Computing kpt #: 169 total cpu time spent up to now is 167.7 secs Computing kpt #: 170 total cpu time spent up to now is 168.8 secs Computing kpt #: 171 total cpu time spent up to now is 170.0 secs Computing kpt #: 172 total cpu time spent up to now is 170.9 secs Computing kpt #: 173 total cpu time spent up to now is 172.1 secs Computing kpt #: 174 total cpu time spent up to now is 173.0 secs Computing kpt #: 175 total cpu time spent up to now is 174.0 secs Computing kpt #: 176 total cpu time spent up to now is 175.1 secs Computing kpt #: 177 total cpu time spent up to now is 176.1 secs Computing kpt #: 178 total cpu time spent up to now is 177.2 secs Computing kpt #: 179 total cpu time spent up to now is 178.2 secs Computing kpt #: 180 total cpu time spent up to now is 179.2 secs Computing kpt #: 181 total cpu time spent up to now is 180.0 secs Computing kpt #: 182 total cpu time spent up to now is 180.9 secs Computing kpt #: 183 total cpu time spent up to now is 181.7 secs Computing kpt #: 184 total cpu time spent up to now is 182.5 secs Computing kpt #: 185 total cpu time spent up to now is 183.3 secs Computing kpt #: 186 total cpu time spent up to now is 184.1 secs Computing kpt #: 187 total cpu time spent up to now is 184.9 secs Computing kpt #: 188 total cpu time spent up to now is 185.7 secs Computing kpt #: 189 total cpu time spent up to now is 186.5 secs Computing kpt #: 190 total cpu time spent up to now is 187.3 secs Computing kpt #: 191 total cpu time spent up to now is 188.2 secs Computing kpt #: 192 total cpu time spent up to now is 189.1 secs Computing kpt #: 193 total cpu time spent up to now is 190.1 secs Computing kpt #: 194 total cpu time spent up to now is 190.9 secs Computing kpt #: 195 total cpu time spent up to now is 191.7 secs Computing kpt #: 196 total cpu time spent up to now is 192.7 secs Computing kpt #: 197 total cpu time spent up to now is 193.6 secs Computing kpt #: 198 total cpu time spent up to now is 194.4 secs Computing kpt #: 199 total cpu time spent up to now is 195.6 secs Computing kpt #: 200 total cpu time spent up to now is 196.8 secs Computing kpt #: 201 total cpu time spent up to now is 198.0 secs Computing kpt #: 202 total cpu time spent up to now is 199.1 secs Computing kpt #: 203 total cpu time spent up to now is 200.1 secs Computing kpt #: 204 total cpu time spent up to now is 201.2 secs Computing kpt #: 205 total cpu time spent up to now is 202.2 secs Computing kpt #: 206 total cpu time spent up to now is 203.1 secs Computing kpt #: 207 total cpu time spent up to now is 204.1 secs Computing kpt #: 208 total cpu time spent up to now is 205.1 secs Computing kpt #: 209 total cpu time spent up to now is 206.1 secs Computing kpt #: 210 total cpu time spent up to now is 207.2 secs Computing kpt #: 211 total cpu time spent up to now is 207.8 secs Computing kpt #: 212 total cpu time spent up to now is 208.5 secs Computing kpt #: 213 total cpu time spent up to now is 209.2 secs Computing kpt #: 214 total cpu time spent up to now is 209.9 secs Computing kpt #: 215 total cpu time spent up to now is 210.6 secs Computing kpt #: 216 total cpu time spent up to now is 211.3 secs Computing kpt #: 217 total cpu time spent up to now is 212.0 secs Computing kpt #: 218 total cpu time spent up to now is 212.7 secs Computing kpt #: 219 total cpu time spent up to now is 213.3 secs Computing kpt #: 220 total cpu time spent up to now is 214.0 secs Computing kpt #: 221 total cpu time spent up to now is 214.6 secs Computing kpt #: 222 total cpu time spent up to now is 215.2 secs Computing kpt #: 223 total cpu time spent up to now is 215.8 secs Computing kpt #: 224 total cpu time spent up to now is 216.4 secs Computing kpt #: 225 total cpu time spent up to now is 217.0 secs Computing kpt #: 226 total cpu time spent up to now is 217.6 secs Computing kpt #: 227 total cpu time spent up to now is 218.2 secs Computing kpt #: 228 total cpu time spent up to now is 218.8 secs Computing kpt #: 229 total cpu time spent up to now is 219.4 secs Computing kpt #: 230 total cpu time spent up to now is 220.0 secs Computing kpt #: 231 total cpu time spent up to now is 220.6 secs Computing kpt #: 232 total cpu time spent up to now is 221.2 secs Computing kpt #: 233 total cpu time spent up to now is 221.8 secs Computing kpt #: 234 total cpu time spent up to now is 222.3 secs Computing kpt #: 235 total cpu time spent up to now is 222.9 secs Computing kpt #: 236 total cpu time spent up to now is 223.5 secs Computing kpt #: 237 total cpu time spent up to now is 224.0 secs Computing kpt #: 238 total cpu time spent up to now is 224.6 secs Computing kpt #: 239 total cpu time spent up to now is 225.2 secs Computing kpt #: 240 total cpu time spent up to now is 225.8 secs Computing kpt #: 241 total cpu time spent up to now is 226.4 secs Computing kpt #: 242 total cpu time spent up to now is 227.0 secs Computing kpt #: 243 total cpu time spent up to now is 227.5 secs Computing kpt #: 244 total cpu time spent up to now is 228.0 secs Computing kpt #: 245 total cpu time spent up to now is 228.6 secs Computing kpt #: 246 total cpu time spent up to now is 229.1 secs Computing kpt #: 247 total cpu time spent up to now is 229.8 secs Computing kpt #: 248 total cpu time spent up to now is 230.4 secs Computing kpt #: 249 total cpu time spent up to now is 231.0 secs Computing kpt #: 250 total cpu time spent up to now is 231.6 secs Computing kpt #: 251 total cpu time spent up to now is 232.2 secs Computing kpt #: 252 total cpu time spent up to now is 232.8 secs Computing kpt #: 253 total cpu time spent up to now is 233.3 secs Computing kpt #: 254 total cpu time spent up to now is 233.9 secs Computing kpt #: 255 total cpu time spent up to now is 234.5 secs Computing kpt #: 256 total cpu time spent up to now is 235.1 secs Computing kpt #: 257 total cpu time spent up to now is 235.8 secs Computing kpt #: 258 total cpu time spent up to now is 236.5 secs Computing kpt #: 259 total cpu time spent up to now is 237.3 secs Computing kpt #: 260 total cpu time spent up to now is 238.0 secs Computing kpt #: 261 total cpu time spent up to now is 238.8 secs Computing kpt #: 262 total cpu time spent up to now is 239.5 secs Computing kpt #: 263 total cpu time spent up to now is 240.2 secs Computing kpt #: 264 total cpu time spent up to now is 240.8 secs Computing kpt #: 265 total cpu time spent up to now is 241.5 secs Computing kpt #: 266 total cpu time spent up to now is 242.2 secs Computing kpt #: 267 total cpu time spent up to now is 242.8 secs Computing kpt #: 268 total cpu time spent up to now is 243.6 secs Computing kpt #: 269 total cpu time spent up to now is 244.3 secs Computing kpt #: 270 total cpu time spent up to now is 245.0 secs Computing kpt #: 271 total cpu time spent up to now is 245.6 secs Computing kpt #: 272 total cpu time spent up to now is 246.3 secs Computing kpt #: 273 total cpu time spent up to now is 246.9 secs Computing kpt #: 274 total cpu time spent up to now is 247.6 secs Computing kpt #: 275 total cpu time spent up to now is 248.2 secs Computing kpt #: 276 total cpu time spent up to now is 248.9 secs Computing kpt #: 277 total cpu time spent up to now is 249.6 secs Computing kpt #: 278 total cpu time spent up to now is 250.2 secs Computing kpt #: 279 total cpu time spent up to now is 250.9 secs Computing kpt #: 280 total cpu time spent up to now is 251.5 secs Computing kpt #: 281 total cpu time spent up to now is 252.1 secs Computing kpt #: 282 total cpu time spent up to now is 252.8 secs Computing kpt #: 283 total cpu time spent up to now is 253.5 secs Computing kpt #: 284 total cpu time spent up to now is 254.2 secs Computing kpt #: 285 total cpu time spent up to now is 254.9 secs Computing kpt #: 286 total cpu time spent up to now is 255.6 secs Computing kpt #: 287 total cpu time spent up to now is 256.3 secs Computing kpt #: 288 total cpu time spent up to now is 257.0 secs Computing kpt #: 289 total cpu time spent up to now is 257.8 secs Computing kpt #: 290 total cpu time spent up to now is 258.5 secs Computing kpt #: 291 total cpu time spent up to now is 259.2 secs Computing kpt #: 292 total cpu time spent up to now is 259.8 secs Computing kpt #: 293 total cpu time spent up to now is 260.6 secs Computing kpt #: 294 total cpu time spent up to now is 261.3 secs Computing kpt #: 295 total cpu time spent up to now is 262.1 secs Computing kpt #: 296 total cpu time spent up to now is 262.7 secs Computing kpt #: 297 total cpu time spent up to now is 263.4 secs Computing kpt #: 298 total cpu time spent up to now is 264.1 secs Computing kpt #: 299 total cpu time spent up to now is 264.7 secs Computing kpt #: 300 total cpu time spent up to now is 265.4 secs Computing kpt #: 301 total cpu time spent up to now is 266.1 secs Computing kpt #: 302 total cpu time spent up to now is 266.8 secs Computing kpt #: 303 total cpu time spent up to now is 267.6 secs Computing kpt #: 304 total cpu time spent up to now is 268.3 secs Computing kpt #: 305 total cpu time spent up to now is 269.1 secs Computing kpt #: 306 total cpu time spent up to now is 269.7 secs Computing kpt #: 307 total cpu time spent up to now is 270.3 secs Computing kpt #: 308 total cpu time spent up to now is 270.9 secs Computing kpt #: 309 total cpu time spent up to now is 271.5 secs Computing kpt #: 310 total cpu time spent up to now is 272.0 secs Computing kpt #: 311 total cpu time spent up to now is 272.6 secs Computing kpt #: 312 total cpu time spent up to now is 273.2 secs Computing kpt #: 313 total cpu time spent up to now is 273.8 secs Computing kpt #: 314 total cpu time spent up to now is 274.4 secs Computing kpt #: 315 total cpu time spent up to now is 275.0 secs Computing kpt #: 316 total cpu time spent up to now is 275.5 secs Computing kpt #: 317 total cpu time spent up to now is 276.0 secs Computing kpt #: 318 total cpu time spent up to now is 276.5 secs Computing kpt #: 319 total cpu time spent up to now is 277.0 secs Computing kpt #: 320 total cpu time spent up to now is 277.5 secs Computing kpt #: 321 total cpu time spent up to now is 278.0 secs Computing kpt #: 322 total cpu time spent up to now is 278.5 secs Computing kpt #: 323 total cpu time spent up to now is 279.1 secs Computing kpt #: 324 total cpu time spent up to now is 279.6 secs Computing kpt #: 325 total cpu time spent up to now is 280.1 secs Computing kpt #: 326 total cpu time spent up to now is 280.6 secs Computing kpt #: 327 total cpu time spent up to now is 281.1 secs Computing kpt #: 328 total cpu time spent up to now is 281.5 secs Computing kpt #: 329 total cpu time spent up to now is 282.1 secs Computing kpt #: 330 total cpu time spent up to now is 282.6 secs Computing kpt #: 331 total cpu time spent up to now is 283.1 secs Computing kpt #: 332 total cpu time spent up to now is 283.5 secs Computing kpt #: 333 total cpu time spent up to now is 284.0 secs Computing kpt #: 334 total cpu time spent up to now is 284.5 secs Computing kpt #: 335 total cpu time spent up to now is 285.1 secs Computing kpt #: 336 total cpu time spent up to now is 285.6 secs Computing kpt #: 337 total cpu time spent up to now is 286.1 secs Computing kpt #: 338 total cpu time spent up to now is 286.6 secs Computing kpt #: 339 total cpu time spent up to now is 287.1 secs Computing kpt #: 340 total cpu time spent up to now is 287.6 secs Computing kpt #: 341 total cpu time spent up to now is 288.1 secs Computing kpt #: 342 total cpu time spent up to now is 288.7 secs Computing kpt #: 343 total cpu time spent up to now is 289.2 secs Computing kpt #: 344 total cpu time spent up to now is 289.7 secs Computing kpt #: 345 total cpu time spent up to now is 290.2 secs Computing kpt #: 346 total cpu time spent up to now is 290.8 secs Computing kpt #: 347 total cpu time spent up to now is 291.4 secs Computing kpt #: 348 total cpu time spent up to now is 292.0 secs Computing kpt #: 349 total cpu time spent up to now is 292.7 secs Computing kpt #: 350 total cpu time spent up to now is 293.3 secs Computing kpt #: 351 total cpu time spent up to now is 293.9 secs Computing kpt #: 352 total cpu time spent up to now is 294.5 secs Computing kpt #: 353 total cpu time spent up to now is 295.3 secs Computing kpt #: 354 total cpu time spent up to now is 296.2 secs Computing kpt #: 355 total cpu time spent up to now is 297.4 secs Computing kpt #: 356 total cpu time spent up to now is 298.7 secs Computing kpt #: 357 total cpu time spent up to now is 299.9 secs Computing kpt #: 358 total cpu time spent up to now is 300.8 secs Computing kpt #: 359 total cpu time spent up to now is 301.8 secs Computing kpt #: 360 total cpu time spent up to now is 302.7 secs Computing kpt #: 361 total cpu time spent up to now is 303.7 secs Computing kpt #: 362 total cpu time spent up to now is 304.7 secs Computing kpt #: 363 total cpu time spent up to now is 305.9 secs Computing kpt #: 364 total cpu time spent up to now is 307.0 secs Computing kpt #: 365 total cpu time spent up to now is 308.0 secs Computing kpt #: 366 total cpu time spent up to now is 309.2 secs Computing kpt #: 367 total cpu time spent up to now is 310.3 secs Computing kpt #: 368 total cpu time spent up to now is 311.5 secs Computing kpt #: 369 total cpu time spent up to now is 312.6 secs Computing kpt #: 370 total cpu time spent up to now is 313.8 secs Computing kpt #: 371 total cpu time spent up to now is 314.5 secs Computing kpt #: 372 total cpu time spent up to now is 315.3 secs Computing kpt #: 373 total cpu time spent up to now is 316.1 secs Computing kpt #: 374 total cpu time spent up to now is 316.8 secs Computing kpt #: 375 total cpu time spent up to now is 317.6 secs Computing kpt #: 376 total cpu time spent up to now is 318.3 secs Computing kpt #: 377 total cpu time spent up to now is 319.1 secs Computing kpt #: 378 total cpu time spent up to now is 319.9 secs Computing kpt #: 379 total cpu time spent up to now is 320.6 secs Computing kpt #: 380 total cpu time spent up to now is 321.6 secs Computing kpt #: 381 total cpu time spent up to now is 322.3 secs Computing kpt #: 382 total cpu time spent up to now is 323.2 secs Computing kpt #: 383 total cpu time spent up to now is 324.1 secs Computing kpt #: 384 total cpu time spent up to now is 325.0 secs Computing kpt #: 385 total cpu time spent up to now is 325.9 secs Computing kpt #: 386 total cpu time spent up to now is 326.9 secs Computing kpt #: 387 total cpu time spent up to now is 327.8 secs Computing kpt #: 388 total cpu time spent up to now is 328.7 secs Computing kpt #: 389 total cpu time spent up to now is 329.3 secs Computing kpt #: 390 total cpu time spent up to now is 329.9 secs Computing kpt #: 391 total cpu time spent up to now is 330.7 secs Computing kpt #: 392 total cpu time spent up to now is 331.4 secs Computing kpt #: 393 total cpu time spent up to now is 332.1 secs Computing kpt #: 394 total cpu time spent up to now is 332.8 secs Computing kpt #: 395 total cpu time spent up to now is 333.6 secs Computing kpt #: 396 total cpu time spent up to now is 334.3 secs Computing kpt #: 397 total cpu time spent up to now is 334.9 secs Computing kpt #: 398 total cpu time spent up to now is 335.6 secs Computing kpt #: 399 total cpu time spent up to now is 336.2 secs Computing kpt #: 400 total cpu time spent up to now is 336.8 secs Computing kpt #: 401 total cpu time spent up to now is 337.6 secs Computing kpt #: 402 total cpu time spent up to now is 338.2 secs Computing kpt #: 403 total cpu time spent up to now is 338.8 secs Computing kpt #: 404 total cpu time spent up to now is 339.4 secs Computing kpt #: 405 total cpu time spent up to now is 340.1 secs Computing kpt #: 406 total cpu time spent up to now is 340.8 secs Computing kpt #: 407 total cpu time spent up to now is 341.4 secs Computing kpt #: 408 total cpu time spent up to now is 342.0 secs Computing kpt #: 409 total cpu time spent up to now is 342.6 secs Computing kpt #: 410 total cpu time spent up to now is 343.2 secs Computing kpt #: 411 total cpu time spent up to now is 343.9 secs Computing kpt #: 412 total cpu time spent up to now is 344.6 secs Computing kpt #: 413 total cpu time spent up to now is 345.4 secs Computing kpt #: 414 total cpu time spent up to now is 346.2 secs Computing kpt #: 415 total cpu time spent up to now is 347.0 secs Computing kpt #: 416 total cpu time spent up to now is 347.7 secs Computing kpt #: 417 total cpu time spent up to now is 348.4 secs Computing kpt #: 418 total cpu time spent up to now is 349.1 secs Computing kpt #: 419 total cpu time spent up to now is 349.8 secs Computing kpt #: 420 total cpu time spent up to now is 350.5 secs Computing kpt #: 421 total cpu time spent up to now is 351.3 secs Computing kpt #: 422 total cpu time spent up to now is 352.0 secs Computing kpt #: 423 total cpu time spent up to now is 352.7 secs Computing kpt #: 424 total cpu time spent up to now is 353.3 secs Computing kpt #: 425 total cpu time spent up to now is 354.5 secs Computing kpt #: 426 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 356.2 secs Computing kpt #: 427 total cpu time spent up to now is 357.3 secs Computing kpt #: 428 total cpu time spent up to now is 358.4 secs Computing kpt #: 429 total cpu time spent up to now is 359.4 secs Computing kpt #: 430 total cpu time spent up to now is 360.4 secs Computing kpt #: 431 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 362.2 secs Computing kpt #: 432 total cpu time spent up to now is 363.7 secs Computing kpt #: 433 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 365.4 secs Computing kpt #: 434 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 367.2 secs Computing kpt #: 435 total cpu time spent up to now is 368.4 secs Computing kpt #: 436 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 370.2 secs Computing kpt #: 437 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.9 secs Computing kpt #: 438 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 373.6 secs Computing kpt #: 439 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 375.5 secs Computing kpt #: 440 total cpu time spent up to now is 377.1 secs Computing kpt #: 441 total cpu time spent up to now is 378.3 secs Computing kpt #: 442 total cpu time spent up to now is 379.1 secs Computing kpt #: 443 total cpu time spent up to now is 379.7 secs Computing kpt #: 444 total cpu time spent up to now is 380.3 secs Computing kpt #: 445 total cpu time spent up to now is 380.9 secs Computing kpt #: 446 total cpu time spent up to now is 381.7 secs Computing kpt #: 447 total cpu time spent up to now is 382.5 secs Computing kpt #: 448 total cpu time spent up to now is 383.3 secs Computing kpt #: 449 total cpu time spent up to now is 384.1 secs Computing kpt #: 450 total cpu time spent up to now is 384.8 secs Computing kpt #: 451 total cpu time spent up to now is 385.6 secs Computing kpt #: 452 total cpu time spent up to now is 386.4 secs Computing kpt #: 453 total cpu time spent up to now is 387.2 secs Computing kpt #: 454 total cpu time spent up to now is 388.0 secs Computing kpt #: 455 total cpu time spent up to now is 388.8 secs Computing kpt #: 456 total cpu time spent up to now is 389.5 secs Computing kpt #: 457 total cpu time spent up to now is 390.3 secs Computing kpt #: 458 total cpu time spent up to now is 391.0 secs Computing kpt #: 459 total cpu time spent up to now is 391.8 secs Computing kpt #: 460 total cpu time spent up to now is 392.5 secs Computing kpt #: 461 total cpu time spent up to now is 393.4 secs Computing kpt #: 462 total cpu time spent up to now is 394.1 secs Computing kpt #: 463 total cpu time spent up to now is 395.1 secs Computing kpt #: 464 total cpu time spent up to now is 396.0 secs Computing kpt #: 465 total cpu time spent up to now is 396.7 secs Computing kpt #: 466 total cpu time spent up to now is 397.4 secs Computing kpt #: 467 total cpu time spent up to now is 398.4 secs Computing kpt #: 468 total cpu time spent up to now is 399.4 secs Computing kpt #: 469 total cpu time spent up to now is 400.2 secs Computing kpt #: 470 total cpu time spent up to now is 400.9 secs Computing kpt #: 471 total cpu time spent up to now is 401.6 secs Computing kpt #: 472 total cpu time spent up to now is 402.3 secs Computing kpt #: 473 total cpu time spent up to now is 402.9 secs Computing kpt #: 474 total cpu time spent up to now is 403.4 secs ethr = 3.33E-11, avg # of iterations = 31.4 total cpu time spent up to now is 403.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1729 PWs) bands (ev): -2.8916 -2.8916 0.9038 0.9038 4.5433 4.5433 7.0536 7.0536 7.0917 7.0917 7.9776 7.9776 8.6656 8.6656 8.6758 8.6758 9.0210 9.0210 9.1638 9.1638 9.9449 9.9449 10.0289 10.0289 11.3805 11.3805 11.7110 11.7110 11.9902 11.9902 14.1634 14.1634 14.2386 14.2386 14.3145 14.3145 15.0406 15.0406 k = 0.0057 0.0100-0.0000 ( 1733 PWs) bands (ev): -2.8902 -2.8902 0.9039 0.9040 4.5448 4.5448 7.0535 7.0536 7.0917 7.0917 7.9770 7.9772 8.6644 8.6645 8.6747 8.6748 9.0204 9.0205 9.1630 9.1636 9.9445 9.9451 10.0284 10.0290 11.3798 11.3803 11.7034 11.7064 11.9828 11.9835 14.1580 14.1591 14.2172 14.2357 14.3052 14.3223 15.0652 15.0663 k = 0.0115 0.0199-0.0000 ( 1733 PWs) bands (ev): -2.8863 -2.8862 0.9044 0.9045 4.5492 4.5494 7.0533 7.0536 7.0919 7.0919 7.9756 7.9760 8.6612 8.6612 8.6719 8.6722 9.0188 9.0191 9.1613 9.1626 9.9440 9.9452 10.0279 10.0291 11.3782 11.3793 11.6832 11.6893 11.9622 11.9635 14.1300 14.1328 14.1880 14.2257 14.2982 14.3285 15.1336 15.1357 k = 0.0172 0.0299-0.0000 ( 1735 PWs) bands (ev): -2.8796 -2.8796 0.9052 0.9054 4.5567 4.5569 7.0528 7.0532 7.0920 7.0920 7.9732 7.9737 8.6550 8.6555 8.6673 8.6684 9.0164 9.0170 9.1594 9.1611 9.9432 9.9449 10.0270 10.0288 11.3758 11.3775 11.6498 11.6589 11.9304 11.9321 14.0692 14.0704 14.1792 14.2273 14.2938 14.3344 15.2328 15.2354 k = 0.0230 0.0398-0.0000 ( 1739 PWs) bands (ev): -2.8703 -2.8703 0.9063 0.9065 4.5673 4.5675 7.0519 7.0523 7.0923 7.0923 7.9699 7.9705 8.6456 8.6468 8.6615 8.6635 9.0126 9.0138 9.1571 9.1591 9.9421 9.9445 10.0258 10.0282 11.3726 11.3747 11.6023 11.6142 11.8901 11.8920 13.9921 13.9929 14.1790 14.2351 14.2906 14.3400 15.3515 15.3545 k = 0.0287 0.0498-0.0000 ( 1737 PWs) bands (ev): -2.8584 -2.8583 0.9077 0.9080 4.5808 4.5811 7.0505 7.0511 7.0931 7.0931 7.9654 7.9662 8.6335 8.6353 8.6547 8.6575 9.0073 9.0093 9.1550 9.1571 9.9408 9.9439 10.0245 10.0275 11.3684 11.3706 11.5406 11.5547 11.8439 11.8461 13.9105 13.9124 14.1808 14.2435 14.2883 14.3445 15.4822 15.4855 k = 0.0345 0.0597-0.0000 ( 1741 PWs) bands (ev): -2.8438 -2.8438 0.9094 0.9097 4.5973 4.5977 7.0483 7.0490 7.0943 7.0943 7.9597 7.9607 8.6185 8.6208 8.6468 8.6502 9.0000 9.0030 9.1534 9.1553 9.9392 9.9431 10.0230 10.0265 11.3630 11.3640 11.4665 11.4810 11.7935 11.7963 13.8309 13.8334 14.1828 14.2488 14.2874 14.3472 15.6204 15.6239 k = 0.0402 0.0697-0.0000 ( 1733 PWs) bands (ev): -2.8266 -2.8265 0.9113 0.9117 4.6169 4.6173 7.0454 7.0461 7.0962 7.0962 7.9526 7.9538 8.6010 8.6037 8.6377 8.6418 8.9906 8.9949 9.1528 9.1543 9.9375 9.9421 10.0214 10.0254 11.3434 11.3549 11.3932 11.3963 11.7398 11.7435 13.7559 13.7588 14.1835 14.2484 14.2885 14.3474 15.7629 15.7665 k = 0.0460 0.0796-0.0000 ( 1739 PWs) bands (ev): -2.8067 -2.8067 0.9134 0.9138 4.6394 4.6399 7.0414 7.0422 7.0986 7.0987 7.9437 7.9451 8.5807 8.5837 8.6274 8.6320 8.9787 8.9845 9.1531 9.1540 9.9353 9.9409 10.0196 10.0240 11.2655 11.2937 11.3530 11.3664 11.6829 11.6881 13.6870 13.6901 14.1820 14.2415 14.2910 14.3447 15.9074 15.9112 k = 0.0517 0.0896-0.0000 ( 1735 PWs) bands (ev): -2.7843 -2.7842 0.9157 0.9162 4.6648 4.6654 7.0365 7.0374 7.1015 7.1016 7.9330 7.9346 8.5583 8.5615 8.6157 8.6207 8.9646 8.9718 9.1549 9.1551 9.9329 9.9396 10.0176 10.0226 11.1622 11.1902 11.3430 11.3566 11.6228 11.6302 13.6249 13.6281 14.1772 14.2284 14.2933 14.3392 16.0523 16.0564 k = 0.0575 0.0995-0.0000 ( 1739 PWs) bands (ev): -2.7592 -2.7592 0.9181 0.9187 4.6933 4.6939 7.0307 7.0317 7.1048 7.1050 7.9199 7.9217 8.5336 8.5370 8.6029 8.6082 8.9479 8.9566 9.1574 9.1579 9.9301 9.9379 10.0155 10.0209 11.0517 11.0804 11.3321 11.3478 11.5597 11.5702 13.5697 13.5729 14.1679 14.2097 14.2942 14.3311 16.1964 16.2006 k = 0.0632 0.1095-0.0000 ( 1743 PWs) bands (ev): -2.7316 -2.7316 0.9207 0.9212 4.7246 4.7253 7.0240 7.0250 7.1084 7.1086 7.9041 7.9061 8.5070 8.5104 8.5888 8.5942 8.9289 8.9389 9.1611 9.1623 9.9269 9.9362 10.0133 10.0192 10.9375 10.9676 11.3184 11.3382 11.4943 11.5093 13.5213 13.5244 14.1529 14.1851 14.2932 14.3209 16.3384 16.3428 k = 0.0690 0.1195-0.0000 ( 1743 PWs) bands (ev): -2.7014 -2.7014 0.9232 0.9238 4.7589 4.7597 7.0163 7.0174 7.1123 7.1126 7.8853 7.8875 8.4785 8.4820 8.5737 8.5791 8.9078 8.9191 9.1660 9.1678 9.9234 9.9343 10.0111 10.0174 10.8221 10.8538 11.2996 11.3264 11.4279 11.4501 13.4791 13.4822 14.1314 14.1549 14.2897 14.3092 16.4775 16.4821 k = 0.0747 0.1294-0.0000 ( 1741 PWs) bands (ev): -2.6687 -2.6686 0.9258 0.9264 4.7960 4.7969 7.0077 7.0088 7.1163 7.1166 7.8627 7.8651 8.4484 8.4519 8.5578 8.5631 8.8849 8.8970 9.1722 9.1745 9.9194 9.9323 10.0087 10.0156 10.7071 10.7408 11.2713 11.3071 11.3661 11.3976 13.4426 13.4456 14.1029 14.1189 14.2836 14.2960 16.6131 16.6179 k = 0.0805 0.1394-0.0000 ( 1745 PWs) bands (ev): -2.6334 -2.6334 0.9283 0.9289 4.8361 4.8370 6.9981 6.9992 7.1202 7.1206 7.8356 7.8382 8.4169 8.4204 8.5412 8.5462 8.8602 8.8729 9.1796 9.1823 9.9148 9.9301 10.0063 10.0136 10.5941 10.6303 11.2282 11.2623 11.3277 11.3575 13.4110 13.4138 14.0675 14.0774 14.2745 14.2813 16.7445 16.7496 k = 0.0862 0.1493-0.0000 ( 1743 PWs) bands (ev): -2.5957 -2.5956 0.9306 0.9313 4.8789 4.8799 6.9875 6.9886 7.1239 7.1244 7.8035 7.8062 8.3845 8.3878 8.5246 8.5291 8.8341 8.8472 9.1880 9.1911 9.9095 9.9279 10.0039 10.0118 10.4843 10.5236 11.1712 11.1961 11.3089 11.3295 13.3836 13.3862 14.0255 14.0308 14.2620 14.2645 16.8715 16.8769 k = 0.0920 0.1593-0.0000 ( 1743 PWs) bands (ev): -2.5555 -2.5554 0.9327 0.9335 4.9246 4.9257 6.9758 6.9769 7.1274 7.1279 7.7654 7.7683 8.3513 8.3546 8.5082 8.5121 8.8067 8.8199 9.1974 9.2009 9.9030 9.9254 10.0012 10.0098 10.3789 10.4224 11.1063 11.1248 11.2941 11.3081 13.3594 13.3618 13.9776 13.9794 14.2451 14.2457 16.9938 16.9996 k = 0.0977 0.1692-0.0000 ( 1743 PWs) bands (ev): -2.5128 -2.5128 0.9346 0.9354 4.9731 4.9742 6.9630 6.9641 7.1303 7.1309 7.7210 7.7239 8.3177 8.3209 8.4924 8.4957 8.7781 8.7912 9.2077 9.2114 9.8950 9.9227 9.9983 10.0078 10.2787 10.3279 11.0380 11.0526 11.2795 11.2895 13.3378 13.3399 13.9237 13.9245 14.2225 14.2254 17.1112 17.1176 k = 0.1034 0.1792-0.0000 ( 1747 PWs) bands (ev): -2.4678 -2.4677 0.9361 0.9369 5.0243 5.0254 6.9490 6.9501 7.1326 7.1332 7.6695 7.6723 8.2842 8.2872 8.4777 8.4803 8.7486 8.7612 9.2186 9.2226 9.8848 9.9199 9.9950 10.0058 10.1845 10.2418 10.9687 10.9807 11.2643 11.2716 13.3179 13.3198 13.8642 13.8669 14.1962 14.2007 17.2236 17.2307 k = 0.1092 0.1891-0.0000 ( 1751 PWs) bands (ev): -2.4203 -2.4203 0.9372 0.9381 5.0782 5.0794 6.9337 6.9347 7.1340 7.1346 7.6106 7.6134 8.2511 8.2540 8.4644 8.4664 8.7182 8.7303 9.2306 9.2347 9.8710 9.9166 9.9911 10.0037 10.0970 10.1661 10.8994 10.9096 11.2484 11.2536 13.2991 13.3006 13.8014 13.8055 14.1657 14.1713 17.3307 17.3389 k = 0.1149 0.1991-0.0000 ( 1757 PWs) bands (ev): -2.3706 -2.3705 0.9378 0.9387 5.1348 5.1360 6.9170 6.9180 7.1342 7.1348 7.5445 7.5471 8.2189 8.2215 8.4529 8.4543 8.6872 8.6986 9.2432 9.2475 9.8518 9.9123 9.9859 10.0009 10.0176 10.1033 10.8310 10.8400 11.2314 11.2352 13.2806 13.2819 13.7360 13.7410 14.1307 14.1371 17.4322 17.4420 k = 0.1207 0.2090-0.0000 ( 1761 PWs) bands (ev): -2.3185 -2.3184 0.9379 0.9387 5.1940 5.1952 6.8990 6.8999 7.1327 7.1334 7.4714 7.4738 8.1879 8.1903 8.4434 8.4442 8.6556 8.6661 9.2565 9.2610 9.8255 9.9030 9.9485 9.9786 9.9997 10.0566 10.7640 10.7721 11.2134 11.2160 13.2619 13.2628 13.6683 13.6740 14.0910 14.0978 17.5268 17.5395 k = 0.1264 0.2190-0.0000 ( 1769 PWs) bands (ev): -2.2642 -2.2641 0.9372 0.9381 5.2557 5.2569 6.8796 6.8804 7.1289 7.1296 7.3923 7.3946 8.1584 8.1606 8.4362 8.4363 8.6234 8.6330 9.2704 9.2750 9.7915 9.8625 9.9181 9.9684 9.9975 10.0270 10.6987 10.7061 11.1941 11.1957 13.2424 13.2428 13.5989 13.6051 14.0463 14.0535 17.6113 17.6303 k = 0.1322 0.2289-0.0000 ( 1769 PWs) bands (ev): -2.2077 -2.2076 0.9358 0.9367 5.3199 5.3212 6.8587 6.8593 7.1206 7.1213 7.3097 7.3118 8.1313 8.1331 8.4307 8.4310 8.5909 8.5996 9.2850 9.2897 9.7522 9.8046 9.9115 9.9563 9.9953 10.0110 10.6353 10.6422 11.1738 11.1746 13.2215 13.2215 13.5284 13.5348 13.9967 14.0040 17.6702 17.7091 k = 0.1379 0.2389-0.0000 ( 1769 PWs) bands (ev): -2.1490 -2.1490 0.9337 0.9346 5.3866 5.3878 6.8364 6.8367 7.1012 7.1017 7.2309 7.2329 8.1065 8.1080 8.4273 8.4281 8.5582 8.5660 9.3002 9.3050 9.7108 9.7498 9.9076 9.9451 9.9931 10.0021 10.5740 10.5804 11.1523 11.1524 13.1984 13.1988 13.4572 13.4636 13.9421 13.9496 17.6284 17.6720 k = 0.1437 0.2489-0.0000 ( 1773 PWs) bands (ev): -2.0883 -2.0882 0.9306 0.9315 5.4556 5.4568 6.8125 6.8127 7.0519 7.0525 7.1751 7.1769 8.0846 8.0858 8.4259 8.4271 8.5252 8.5321 9.3158 9.3208 9.6699 9.6999 9.9045 9.9357 9.9909 9.9963 10.5148 10.5209 11.1289 11.1296 13.1729 13.1739 13.3857 13.3921 13.8827 13.8902 17.4898 17.5128 k = 0.1494 0.2588-0.0000 ( 1777 PWs) bands (ev): -2.0255 -2.0255 0.9266 0.9275 5.5269 5.5281 6.7871 6.7873 6.9673 6.9680 7.1485 7.1501 8.0658 8.0665 8.4261 8.4280 8.4925 8.4983 9.3320 9.3371 9.6311 9.6549 9.9016 9.9280 9.9886 9.9919 10.4578 10.4637 11.1043 11.1056 13.1448 13.1465 13.3146 13.3207 13.8186 13.8260 17.3365 17.3529 k = 0.1552 0.2688-0.0000 ( 1773 PWs) bands (ev): -1.9608 -1.9607 0.9215 0.9224 5.6005 5.6015 6.7603 6.7608 6.8664 6.8671 7.1330 7.1345 8.0502 8.0506 8.4275 8.4308 8.4608 8.4649 9.3486 9.3538 9.5950 9.6144 9.8991 9.9217 9.9862 9.9882 10.4031 10.4088 11.0785 11.0804 13.1136 13.1161 13.2442 13.2498 13.7500 13.7574 17.1833 17.1966 k = 0.1609 0.2787-0.0000 ( 1777 PWs) bands (ev): -1.8942 -1.8941 0.9153 0.9162 5.6760 5.6770 6.7316 6.7326 6.7589 6.7597 7.1199 7.1213 8.0382 8.0382 8.4202 8.4296 8.4370 8.4394 9.3656 9.3710 9.5616 9.5777 9.8966 9.9162 9.9837 9.9847 10.3507 10.3562 11.0514 11.0539 13.0788 13.0825 13.1753 13.1800 13.6773 13.6845 17.0332 17.0446 k = 0.1667 0.2887-0.0000 ( 1777 PWs) bands (ev): -1.8258 -1.8258 0.9080 0.9089 5.7536 5.7543 6.6461 6.6465 6.7042 6.7053 7.1065 7.1080 8.0293 8.0298 8.3911 8.3975 8.4415 8.4418 9.3830 9.3887 9.5313 9.5449 9.8942 9.9114 9.9810 9.9812 10.3006 10.3059 11.0232 11.0262 13.0396 13.0452 13.1087 13.1120 13.6006 13.6077 16.8870 16.8970 k = 0.1724 0.2986-0.0000 ( 1769 PWs) bands (ev): -1.7557 -1.7557 0.8994 0.9003 5.8329 5.8334 6.5325 6.5329 6.6743 6.6760 7.0922 7.0937 8.0243 8.0252 8.3593 8.3648 8.4482 8.4492 9.4007 9.4068 9.5038 9.5157 9.8920 9.9073 9.9776 9.9781 10.2528 10.2580 10.9937 10.9972 12.9948 13.0029 13.0461 13.0471 13.5203 13.5273 16.7451 16.7542 k = 0.1782 0.3086-0.0000 ( 1769 PWs) bands (ev): -1.6840 -1.6839 0.8895 0.8904 5.9137 5.9138 6.4177 6.4180 6.6441 6.6466 7.0763 7.0779 8.0229 8.0242 8.3272 8.3322 8.4565 8.4579 9.4184 9.4253 9.4789 9.4897 9.8899 9.9036 9.9736 9.9748 10.2075 10.2125 10.9630 10.9671 12.9430 12.9533 12.9880 12.9890 13.4368 13.4436 16.6080 16.6162 k = 0.1839 0.3185-0.0000 ( 1765 PWs) bands (ev): -1.6108 -1.6107 0.8783 0.8791 5.9950 5.9956 6.3029 6.3033 6.6138 6.6172 7.0589 7.0604 8.0251 8.0270 8.2957 8.3002 8.4660 8.4676 9.4346 9.4442 9.4563 9.4682 9.8878 9.9003 9.9690 9.9710 10.1649 10.1695 10.9313 10.9358 12.8856 12.8963 12.9351 12.9361 13.3504 13.3570 16.4757 16.4832 k = 0.1897 0.3285-0.0000 ( 1761 PWs) bands (ev): -1.5361 -1.5361 0.8657 0.8665 6.0737 6.0749 6.1919 6.1926 6.5836 6.5883 7.0397 7.0412 8.0310 8.0333 8.2644 8.2686 8.4765 8.4783 9.4360 9.4362 9.4634 9.4641 9.8860 9.8974 9.9634 9.9666 10.1252 10.1294 10.8985 10.9035 12.8263 12.8364 12.8841 12.8843 13.2614 13.2677 16.3484 16.3552 k = 0.1954 0.3384-0.0000 ( 1765 PWs) bands (ev): -1.4603 -1.4603 0.8517 0.8525 6.0620 6.0620 6.1725 6.1761 6.5539 6.5605 7.0187 7.0203 8.0402 8.0430 8.2335 8.2375 8.4878 8.4898 9.4177 9.4203 9.4798 9.4829 9.8841 9.8946 9.9561 9.9607 10.0891 10.0925 10.8648 10.8703 12.7673 12.7767 12.8315 12.8322 13.1701 13.1762 16.2261 16.2324 k = 0.2011 0.3484-0.0000 ( 1769 PWs) bands (ev): -1.3833 -1.3833 0.8362 0.8370 5.9534 5.9535 6.2503 6.2569 6.5251 6.5352 6.9959 6.9976 8.0530 8.0562 8.2032 8.2071 8.4998 8.5019 9.4013 9.4037 9.4986 9.5028 9.8821 9.8921 9.9458 9.9526 10.0577 10.0598 10.8302 10.8361 12.7096 12.7184 12.7771 12.7786 13.0770 13.0828 16.1091 16.1148 k = 0.2069 0.3584-0.0000 ( 1773 PWs) bands (ev): -1.3053 -1.3053 0.8194 0.8201 5.8425 5.8426 6.3278 6.3414 6.4984 6.5158 6.9715 6.9732 8.0691 8.0727 8.1736 8.1774 8.5122 8.5145 9.3867 9.3885 9.5181 9.5230 9.8798 9.8896 9.9312 9.9409 10.0324 10.0329 10.7951 10.8014 12.6537 12.6620 12.7210 12.7232 12.9822 12.9878 15.9972 16.0025 k = 0.2126 0.3683-0.0000 ( 1775 PWs) bands (ev): -1.2265 -1.2265 0.8011 0.8018 5.7330 5.7331 6.3882 6.4179 6.4821 6.5159 6.9455 6.9472 8.0882 8.0922 8.1449 8.1484 8.5250 8.5274 9.3738 9.3748 9.5380 9.5435 9.8765 9.8864 9.9125 9.9253 10.0129 10.0140 10.7596 10.7664 12.5998 12.6076 12.6633 12.6661 12.8862 12.8915 15.8906 15.8954 k = 0.2184 0.3783-0.0000 ( 1775 PWs) bands (ev): -1.1470 -1.1470 0.7814 0.7821 5.6258 5.6259 6.4056 6.4301 6.5317 6.5606 6.9180 6.9198 8.1091 8.1106 8.1209 8.1214 8.5380 8.5405 9.3625 9.3627 9.5581 9.5643 9.8702 9.8777 9.8953 9.9082 9.9995 10.0015 10.7240 10.7311 12.5479 12.5553 12.6043 12.6076 12.7893 12.7942 15.7892 15.7937 k = 0.2241 0.3882-0.0000 ( 1773 PWs) bands (ev): -1.0671 -1.0671 0.7603 0.7610 5.5213 5.5215 6.3948 6.4095 6.6155 6.6350 6.8892 6.8912 8.0881 8.0919 8.1361 8.1414 8.5511 8.5537 9.3523 9.3529 9.5782 9.5853 9.8555 9.8566 9.8896 9.8959 9.9907 9.9931 10.6886 10.6960 12.4981 12.5050 12.5442 12.5479 12.6918 12.6962 15.6932 15.6972 k = 0.2299 0.3982-0.0000 ( 1777 PWs) bands (ev): -0.9870 -0.9869 0.7378 0.7384 5.4200 5.4201 6.3768 6.3872 6.7014 6.7172 6.8598 6.8622 8.0617 8.0655 8.1635 8.1692 8.5640 8.5666 9.3433 9.3446 9.5982 9.6064 9.8285 9.8355 9.8877 9.8903 9.9846 9.9870 10.6537 10.6614 12.4502 12.4564 12.4836 12.4875 12.5943 12.5979 15.6024 15.6061 k = 0.2356 0.4081-0.0000 ( 1777 PWs) bands (ev): -0.9068 -0.9067 0.7140 0.7146 5.3221 5.3222 6.3579 6.3659 6.7807 6.7939 6.8367 6.8388 8.0359 8.0398 8.1934 8.1995 8.5767 8.5794 9.3358 9.3378 9.6176 9.6276 9.8010 9.8119 9.8869 9.8882 9.9801 9.9824 10.6198 10.6277 12.4032 12.4080 12.4232 12.4275 12.4979 12.5000 15.5168 15.5202 k = 0.2414 0.4181-0.0000 ( 1785 PWs) bands (ev): -0.8268 -0.8267 0.6888 0.6894 5.2280 5.2281 6.3395 6.3461 6.7879 6.7890 6.8855 6.8943 8.0109 8.0148 8.2254 8.2319 8.5890 8.5917 9.3296 9.3323 9.6358 9.6486 9.7739 9.7887 9.8865 9.8875 9.9766 9.9788 10.5873 10.5954 12.3504 12.3511 12.3686 12.3734 12.4043 12.4062 15.4365 15.4395 k = 0.2471 0.4280-0.0000 ( 1781 PWs) bands (ev): -0.7473 -0.7472 0.6625 0.6631 5.1380 5.1381 6.3225 6.3281 6.7572 6.7576 6.9678 6.9772 7.9869 7.9908 8.2593 8.2662 8.6009 8.6037 9.3248 9.3282 9.6513 9.6690 9.7480 9.7685 9.8866 9.8876 9.9738 9.9758 10.5570 10.5651 12.2750 12.2798 12.3184 12.3201 12.3251 12.3358 15.3613 15.3641 k = 0.2529 0.4380-0.0000 ( 1781 PWs) bands (ev): -0.6686 -0.6684 0.6351 0.6356 5.0524 5.0526 6.3071 6.3120 6.7234 6.7241 7.0507 7.0599 7.9639 7.9679 8.2948 8.3020 8.6122 8.6149 9.3212 9.3252 9.6614 9.6871 9.7249 9.7539 9.8870 9.8882 9.9715 9.9733 10.5295 10.5376 12.1839 12.1903 12.2511 12.2578 12.2850 12.2927 15.2912 15.2937 k = 0.2586 0.4479-0.0000 ( 1781 PWs) bands (ev): -0.5909 -0.5907 0.6065 0.6070 4.9716 4.9718 6.2935 6.2979 6.6888 6.6897 7.1317 7.1406 7.9418 7.9458 8.3315 8.3389 8.6229 8.6255 9.3191 9.3237 9.6616 9.6883 9.7189 9.7494 9.8876 9.8892 9.9695 9.9711 10.5058 10.5137 12.0882 12.0943 12.1918 12.1992 12.2476 12.2545 15.2262 15.2285 k = 0.2644 0.4579-0.0000 ( 1781 PWs) bands (ev): -0.5145 -0.5143 0.5769 0.5774 4.8958 4.8959 6.2819 6.2859 6.6537 6.6548 7.2100 7.2185 7.9207 7.9248 8.3690 8.3766 8.6328 8.6354 9.3178 9.3229 9.6518 9.6686 9.7342 9.7551 9.8884 9.8904 9.9679 9.9691 10.4867 10.4943 11.9915 11.9972 12.1362 12.1438 12.2121 12.2186 15.1662 15.1682 k = 0.2701 0.4679-0.0000 ( 1785 PWs) bands (ev): -0.4398 -0.4396 0.5465 0.5469 4.8253 4.8255 6.2723 6.2760 6.6186 6.6197 7.2849 7.2931 7.9007 7.9049 8.4070 8.4145 8.6419 8.6444 9.3174 9.3231 9.6364 9.6468 9.7515 9.7662 9.8890 9.8915 9.9664 9.9672 10.4734 10.4806 11.8948 11.9003 12.0840 12.0917 12.1784 12.1845 15.1111 15.1129 k = 0.2759 0.4778-0.0000 ( 1781 PWs) bands (ev): -0.3670 -0.3668 0.5152 0.5156 4.7604 4.7605 6.2647 6.2681 6.5837 6.5848 7.3557 7.3635 7.8817 7.8860 8.4448 8.4523 8.6503 8.6526 9.3181 9.3241 9.6191 9.6258 9.7679 9.7790 9.8900 9.8927 9.9652 9.9655 10.4670 10.4736 11.7987 11.8039 12.0353 12.0431 12.1462 12.1521 15.0609 15.0625 k = 0.2816 0.4878-0.0000 ( 1777 PWs) bands (ev): -0.2967 -0.2964 0.4832 0.4835 4.7013 4.7015 6.2592 6.2625 6.5492 6.5504 7.4218 7.4293 7.8638 7.8681 8.4821 8.4893 8.6579 8.6600 9.3193 9.3257 9.6017 9.6060 9.7827 9.7916 9.8905 9.8935 9.9637 9.9641 10.4688 10.4747 11.7034 11.7083 11.9909 11.9987 12.1155 12.1211 15.0154 15.0169 k = 0.2874 0.4977-0.0000 ( 1787 PWs) bands (ev): -0.2290 -0.2287 0.4505 0.4508 4.6483 4.6484 6.2557 6.2588 6.5154 6.5166 7.4827 7.4897 7.8469 7.8513 8.5181 8.5248 8.6647 8.6666 9.3209 9.3276 9.5847 9.5874 9.7955 9.8028 9.8904 9.8936 9.9618 9.9628 10.4793 10.4846 11.6090 11.6137 11.9511 11.9588 12.0860 12.0914 14.9748 14.9760 k = 0.2931 0.5077-0.0000 ( 1791 PWs) bands (ev): -0.1643 -0.1640 0.4174 0.4176 4.6016 4.6017 6.2542 6.2572 6.4827 6.4839 7.5379 7.5445 7.8312 7.8357 8.5521 8.5582 8.6709 8.6725 9.3228 9.3296 9.5692 9.5707 9.8065 9.8126 9.8896 9.8928 9.9597 9.9615 10.4995 10.5042 11.5158 11.5203 11.9167 11.9243 12.0577 12.0629 14.9388 14.9398 k = 0.2989 0.5176-0.0000 ( 1791 PWs) bands (ev): -0.1030 -0.1027 0.3838 0.3840 4.5612 4.5613 6.2546 6.2575 6.4515 6.4527 7.5869 7.5930 7.8168 7.8213 8.5834 8.5887 8.6767 8.6779 9.3249 9.3318 9.5553 9.5560 9.8158 9.8209 9.8883 9.8913 9.9578 9.9602 10.5296 10.5336 11.4238 11.4281 11.8883 11.8957 12.0304 12.0355 14.9075 14.9084 k = 0.3046 0.5276-0.0000 ( 1791 PWs) bands (ev): -0.0454 -0.0451 0.3499 0.3501 4.5274 4.5275 6.2570 6.2598 6.4220 6.4232 7.6292 7.6349 7.8036 7.8081 8.6111 8.6151 8.6824 8.6830 9.3269 9.3338 9.5434 9.5437 9.8233 9.8277 9.8863 9.8889 9.9559 9.9590 10.5692 10.5728 11.3332 11.3373 11.8665 11.8737 12.0039 12.0089 14.8808 14.8816 k = 0.3103 0.5375-0.0000 ( 1787 PWs) bands (ev): 0.0083 0.0087 0.3158 0.3160 4.5001 4.5001 6.2610 6.2640 6.3949 6.3960 7.6645 7.6699 7.7920 7.7963 8.6339 8.6364 8.6884 8.6886 9.3285 9.3354 9.5336 9.5336 9.8295 9.8333 9.8839 9.8859 9.9542 9.9578 10.6182 10.6213 11.2443 11.2482 11.8521 11.8590 11.9782 11.9830 14.8589 14.8595 k = 0.3161 0.5475-0.0000 ( 1787 PWs) bands (ev): 0.0578 0.0582 0.2816 0.2818 4.4792 4.4793 6.2665 6.2696 6.3707 6.3717 7.6923 7.6978 7.7824 7.7862 8.6506 8.6514 8.6943 8.6953 9.3297 9.3364 9.5259 9.5261 9.8344 9.8377 9.8812 9.8827 9.9527 9.9569 10.6754 10.6783 11.1573 11.1610 11.8455 11.8520 11.9529 11.9577 14.8417 14.8422 k = 0.3218 0.5574-0.0000 ( 1787 PWs) bands (ev): 0.1030 0.1034 0.2474 0.2476 4.4647 4.4647 6.2728 6.2761 6.3505 6.3512 7.7119 7.7179 7.7755 7.7783 8.6605 8.6610 8.7008 8.7023 9.3305 9.3370 9.5207 9.5209 9.8380 9.8408 9.8790 9.8797 9.9517 9.9563 10.7396 10.7423 11.0729 11.0762 11.8474 11.8534 11.9281 11.9329 14.8293 14.8296 k = 0.3276 0.5674-0.0000 ( 1787 PWs) bands (ev): 0.1435 0.1440 0.2134 0.2136 4.4562 4.4563 6.2784 6.2822 6.3361 6.3364 7.7224 7.7298 7.7723 7.7735 8.6649 8.6663 8.7060 8.7075 9.3309 9.3372 9.5178 9.5180 9.8404 9.8428 9.8775 9.8775 9.9511 9.9560 10.8073 10.8102 10.9937 10.9964 11.8581 11.8632 11.9037 11.9088 14.8217 14.8219 k = 0.3333 0.5774-0.0000 ( 1785 PWs) bands (ev): 0.1753 0.1757 0.1838 0.1840 4.4535 4.4535 6.2808 6.2851 6.3305 6.3307 7.7248 7.7334 7.7718 7.7722 8.6660 8.6681 8.7081 8.7095 9.3312 9.3373 9.5171 9.5171 9.8415 9.8434 9.8763 9.8770 9.9508 9.9561 10.8529 10.8571 10.9447 10.9457 11.8742 11.8755 11.8830 11.8915 14.8192 14.8192 k = 0.3333 0.5774-0.0000 ( 1785 PWs) bands (ev): 0.1753 0.1757 0.1838 0.1840 4.4535 4.4535 6.2808 6.2851 6.3305 6.3307 7.7248 7.7334 7.7718 7.7722 8.6660 8.6681 8.7081 8.7095 9.3312 9.3373 9.5171 9.5171 9.8415 9.8434 9.8763 9.8770 9.9508 9.9561 10.8529 10.8571 10.9447 10.9457 11.8742 11.8755 11.8830 11.8915 14.8192 14.8192 k = 0.3218 0.5774-0.0000 ( 1789 PWs) bands (ev): 0.1458 0.1461 0.2113 0.2113 4.4560 4.4561 6.2791 6.2831 6.3354 6.3358 7.7231 7.7313 7.7717 7.7720 8.6646 8.6666 8.7060 8.7075 9.3310 9.3372 9.5174 9.5181 9.8407 9.8428 9.8771 9.8776 9.9510 9.9561 10.8058 10.8085 10.9957 10.9972 11.8539 11.8574 11.9091 11.9134 14.8218 14.8220 k = 0.3103 0.5774-0.0000 ( 1789 PWs) bands (ev): 0.1127 0.1130 0.2381 0.2382 4.4632 4.4632 6.2771 6.2808 6.3473 6.3481 7.7189 7.7270 7.7696 7.7700 8.6594 8.6620 8.7007 8.7024 9.3311 9.3373 9.5192 9.5204 9.8391 9.8414 9.8786 9.8794 9.9515 9.9565 10.7321 10.7341 11.0795 11.0813 11.8291 11.8331 11.9482 11.9518 14.8297 14.8301 k = 0.2989 0.5774-0.0000 ( 1785 PWs) bands (ev): 0.0800 0.0802 0.2607 0.2608 4.4743 4.4743 6.2782 6.2817 6.3633 6.3643 7.7139 7.7221 7.7646 7.7653 8.6489 8.6524 8.6943 8.6958 9.3313 9.3375 9.5218 9.5236 9.8372 9.8395 9.8807 9.8821 9.9523 9.9572 10.6566 10.6583 11.1706 11.1724 11.8037 11.8079 11.9972 12.0004 14.8433 14.8438 k = 0.2874 0.5774-0.0000 ( 1785 PWs) bands (ev): 0.0478 0.0480 0.2791 0.2791 4.4885 4.4886 6.2842 6.2878 6.3821 6.3832 7.7083 7.7169 7.7568 7.7581 8.6317 8.6359 8.6886 8.6897 9.3317 9.3379 9.5251 9.5274 9.8351 9.8374 9.8832 9.8851 9.9533 9.9581 10.5821 10.5836 11.2655 11.2673 11.7777 11.7820 12.0558 12.0588 14.8628 14.8634 k = 0.2759 0.5774-0.0000 ( 1787 PWs) bands (ev): 0.0162 0.0164 0.2935 0.2936 4.5049 4.5050 6.2963 6.2999 6.4033 6.4044 7.7020 7.7110 7.7471 7.7490 8.6076 8.6124 8.6842 8.6849 9.3321 9.3383 9.5286 9.5313 9.8331 9.8352 9.8859 9.8884 9.9545 9.9592 10.5092 10.5105 11.3626 11.3644 11.7510 11.7556 12.1238 12.1267 14.8884 14.8893 k = 0.2644 0.5774-0.0000 ( 1791 PWs) bands (ev): -0.0147 -0.0145 0.3042 0.3043 4.5228 4.5230 6.3151 6.3189 6.4265 6.4276 7.6942 7.7032 7.7371 7.7394 8.5777 8.5829 8.6806 8.6808 9.3323 9.3385 9.5319 9.5352 9.8312 9.8332 9.8887 9.8916 9.9558 9.9605 10.4385 10.4396 11.4605 11.4625 11.7236 11.7286 12.2008 12.2037 14.9207 14.9217 k = 0.2529 0.5774-0.0000 ( 1791 PWs) bands (ev): -0.0448 -0.0446 0.3116 0.3116 4.5413 4.5415 6.3412 6.3452 6.4516 6.4527 7.6838 7.6918 7.7290 7.7313 8.5428 8.5484 8.6772 8.6774 9.3326 9.3387 9.5352 9.5389 9.8294 9.8312 9.8915 9.8949 9.9572 9.9620 10.3699 10.3710 11.5568 11.5609 11.6953 11.7022 12.2865 12.2895 14.9598 14.9611 k = 0.2414 0.5774-0.0000 ( 1787 PWs) bands (ev): -0.0740 -0.0738 0.3158 0.3159 4.5596 4.5597 6.3748 6.3792 6.4787 6.4797 7.6698 7.6763 7.7233 7.7260 8.5038 8.5097 8.6739 8.6744 9.3327 9.3389 9.5380 9.5422 9.8277 9.8295 9.8942 9.8979 9.9589 9.9637 10.3037 10.3047 11.6348 11.6573 11.6674 11.6920 12.3806 12.3837 15.0063 15.0079 k = 0.2299 0.5774-0.0000 ( 1787 PWs) bands (ev): -0.1023 -0.1021 0.3174 0.3174 4.5770 4.5771 6.4161 6.4208 6.5079 6.5088 7.6527 7.6576 7.7197 7.7235 8.4614 8.4674 8.6705 8.6714 9.3324 9.3386 9.5401 9.5448 9.8261 9.8279 9.8966 9.9006 9.9606 9.9655 10.2402 10.2411 11.6277 11.6352 11.7553 11.7638 12.4825 12.4858 15.0605 15.0624 k = 0.2184 0.5774-0.0000 ( 1785 PWs) bands (ev): -0.1295 -0.1294 0.3165 0.3166 4.5929 4.5931 6.4646 6.4697 6.5397 6.5405 7.6332 7.6371 7.7179 7.7229 8.4159 8.4221 8.6672 8.6684 9.3320 9.3382 9.5414 9.5466 9.8246 9.8265 9.8983 9.9027 9.9624 9.9673 10.1796 10.1805 11.5977 11.6031 11.8492 11.8550 12.5918 12.5953 15.1228 15.1251 k = 0.2069 0.5774-0.0000 ( 1789 PWs) bands (ev): -0.1558 -0.1556 0.3137 0.3137 4.6071 4.6073 6.5183 6.5240 6.5756 6.5762 7.6123 7.6154 7.7173 7.7234 8.3679 8.3742 8.6638 8.6653 9.3311 9.3374 9.5418 9.5474 9.8231 9.8251 9.8989 9.9037 9.9641 9.9692 10.1224 10.1234 11.5644 11.5693 11.9400 11.9448 12.7080 12.7118 15.1936 15.1962 k = 0.1954 0.5774-0.0000 ( 1793 PWs) bands (ev): -0.1809 -0.1807 0.3091 0.3091 4.6192 4.6193 6.5721 6.5774 6.6207 6.6222 7.5907 7.5931 7.7177 7.7249 8.3177 8.3242 8.6602 8.6620 9.3300 9.3363 9.5409 9.5470 9.8218 9.8239 9.8975 9.9027 9.9658 9.9711 10.0698 10.0709 11.5292 11.5339 12.0269 12.0314 12.8307 12.8348 15.2730 15.2762 k = 0.1839 0.5774-0.0000 ( 1783 PWs) bands (ev): -0.2048 -0.2047 0.3031 0.3032 4.6291 4.6293 6.6182 6.6222 6.6822 6.6856 7.5687 7.5706 7.7188 7.7272 8.2659 8.2725 8.6567 8.6588 9.3287 9.3351 9.5390 9.5456 9.8205 9.8229 9.8920 9.8978 9.9674 9.9731 10.0238 10.0250 11.4924 11.4969 12.1094 12.1136 12.9595 12.9638 15.3615 15.3651 k = 0.1724 0.5774-0.0000 ( 1779 PWs) bands (ev): -0.2275 -0.2274 0.2961 0.2962 4.6370 4.6372 6.6588 6.6620 6.7570 6.7620 7.5468 7.5483 7.7205 7.7301 8.2126 8.2195 8.6529 8.6552 9.3271 9.3336 9.5356 9.5426 9.8191 9.8218 9.8787 9.8846 9.9682 9.9750 9.9894 9.9898 11.4540 11.4586 12.1870 12.1910 13.0937 13.0983 15.4590 15.4632 k = 0.1609 0.5774-0.0000 ( 1779 PWs) bands (ev): -0.2490 -0.2489 0.2883 0.2883 4.6429 4.6430 6.6980 6.7008 6.8401 6.8462 7.5252 7.5264 7.7226 7.7336 8.1581 8.1654 8.6489 8.6516 9.3252 9.3317 9.5306 9.5381 9.8172 9.8207 9.8549 9.8595 9.9634 9.9683 9.9752 9.9768 11.4144 11.4189 12.2592 12.2631 13.2329 13.2378 15.5655 15.5703 k = 0.1494 0.5774-0.0000 ( 1775 PWs) bands (ev): -0.2692 -0.2691 0.2800 0.2800 4.6470 4.6471 6.7375 6.7402 6.9287 6.9361 7.5043 7.5052 7.7249 7.7376 8.1027 8.1107 8.6448 8.6477 9.3230 9.3297 9.5241 9.5320 9.8102 9.8189 9.8260 9.8280 9.9562 9.9582 9.9751 9.9787 11.3736 11.3781 12.3259 12.3296 13.3766 13.3817 15.6810 15.6866 k = 0.1379 0.5774-0.0000 ( 1771 PWs) bands (ev): -0.2880 -0.2879 0.2714 0.2714 4.6495 4.6497 6.7779 6.7805 7.0214 7.0301 7.4842 7.4850 7.7272 7.7419 8.0468 8.0557 8.6404 8.6436 9.3207 9.3275 9.5159 9.5242 9.7804 9.7882 9.8181 9.8210 9.9532 9.9541 9.9765 9.9805 11.3321 11.3365 12.3869 12.3905 13.5242 13.5295 15.8052 15.8116 k = 0.1264 0.5774-0.0000 ( 1779 PWs) bands (ev): -0.3055 -0.3054 0.2627 0.2627 4.6508 4.6509 6.8193 6.8219 7.1166 7.1269 7.4651 7.4659 7.7291 7.7465 7.9905 8.0009 8.6356 8.6391 9.3177 9.3246 9.5058 9.5145 9.7447 9.7514 9.8166 9.8194 9.9523 9.9529 9.9780 9.9820 11.2902 11.2945 12.4422 12.4455 13.6751 13.6806 15.9376 15.9449 k = 0.1149 0.5774-0.0000 ( 1775 PWs) bands (ev): -0.3215 -0.3214 0.2542 0.2542 4.6510 4.6512 6.8618 6.8645 7.2127 7.2251 7.4472 7.4484 7.7303 7.7514 7.9343 7.9470 8.6305 8.6343 9.3145 9.3217 9.4942 9.5032 9.7101 9.7164 9.8157 9.8184 9.9526 9.9530 9.9795 9.9834 11.2484 11.2526 12.4918 12.4949 13.8284 13.8340 16.0773 16.0859 k = 0.1034 0.5774-0.0000 ( 1779 PWs) bands (ev): -0.3361 -0.3360 0.2459 0.2459 4.6505 4.6506 6.9053 6.9081 7.3076 7.3226 7.4307 7.4334 7.7296 7.7562 7.8786 7.8954 8.6250 8.6290 9.3110 9.3183 9.4812 9.4903 9.6774 9.6837 9.8148 9.8176 9.9531 9.9535 9.9810 9.9847 11.2073 11.2113 12.5359 12.5388 13.9832 13.9890 16.2217 16.2315 k = 0.0920 0.5774-0.0000 ( 1777 PWs) bands (ev): -0.3492 -0.3492 0.2381 0.2381 4.6494 4.6495 6.9499 6.9528 7.3913 7.4048 7.4205 7.4373 7.7247 7.7600 7.8250 7.8492 8.6190 8.6231 9.3068 9.3143 9.4672 9.4763 9.6475 9.6536 9.8141 9.8168 9.9540 9.9545 9.9824 9.9859 11.1677 11.1714 12.5746 12.5772 14.1385 14.1443 16.3161 16.3191 k = 0.0805 0.5774-0.0000 ( 1781 PWs) bands (ev): -0.3609 -0.3608 0.2310 0.2310 4.6479 4.6481 6.9955 6.9985 7.3970 7.4002 7.4902 7.5186 7.7108 7.7530 7.7839 7.8154 8.6122 8.6166 9.3020 9.3096 9.4525 9.4615 9.6206 9.6263 9.8134 9.8160 9.9550 9.9554 9.9836 9.9868 11.1302 11.1337 12.6082 12.6105 14.2925 14.2984 16.2385 16.2388 k = 0.0690 0.5774-0.0000 ( 1777 PWs) bands (ev): -0.3710 -0.3710 0.2245 0.2245 4.6463 4.6464 7.0419 7.0451 7.3868 7.3885 7.5604 7.6005 7.6873 7.7169 7.7762 7.8037 8.6049 8.6093 9.2965 9.3040 9.4381 9.4466 9.5969 9.6022 9.8130 9.8152 9.9560 9.9564 9.9848 9.9876 11.0956 11.0988 12.6368 12.6388 14.4433 14.4491 16.1562 16.1566 k = 0.0575 0.5774-0.0000 ( 1781 PWs) bands (ev): -0.3796 -0.3796 0.2189 0.2189 4.6447 4.6448 7.0891 7.0925 7.3768 7.3779 7.5894 7.6203 7.6983 7.7096 7.7754 7.8142 8.5969 8.6012 9.2902 9.2974 9.4248 9.4324 9.5765 9.5811 9.8125 9.8145 9.9569 9.9573 9.9858 9.9883 11.0648 11.0675 12.6606 12.6623 14.5879 14.5935 16.0852 16.0856 k = 0.0460 0.5774-0.0000 ( 1780 PWs) bands (ev): -0.3867 -0.3866 0.2141 0.2142 4.6432 4.6433 7.1369 7.1406 7.3681 7.3689 7.5629 7.5787 7.7203 7.7581 7.7919 7.8411 8.5886 8.5927 9.2835 9.2900 9.4132 9.4198 9.5597 9.5636 9.8123 9.8139 9.9577 9.9580 9.9868 9.9888 11.0385 11.0407 12.6798 12.6812 14.7222 14.7274 16.0266 16.0270 k = 0.0345 0.5774-0.0000 ( 1790 PWs) bands (ev): -0.3922 -0.3921 0.2104 0.2104 4.6419 4.6420 7.1846 7.1885 7.3604 7.3612 7.5193 7.5298 7.7397 7.7652 7.8464 7.8780 8.5806 8.5841 9.2768 9.2822 9.4042 9.4093 9.5466 9.5496 9.8119 9.8132 9.9583 9.9585 9.9873 9.9889 11.0173 11.0191 12.6946 12.6957 14.8405 14.8449 15.9809 15.9812 k = 0.0230 0.5774-0.0000 ( 1790 PWs) bands (ev): -0.3961 -0.3961 0.2077 0.2077 4.6410 4.6410 7.2317 7.2358 7.3533 7.3541 7.4748 7.4823 7.7510 7.7653 7.8947 7.9127 8.5738 8.5764 9.2713 9.2751 9.3980 9.4015 9.5373 9.5393 9.8119 9.8127 9.9587 9.9589 9.9880 9.9890 11.0019 11.0031 12.7052 12.7058 14.9353 14.9386 15.9481 15.9483 k = 0.0115 0.5774-0.0000 ( 1792 PWs) bands (ev): -0.3985 -0.3985 0.2060 0.2060 4.6404 4.6404 7.2754 7.2792 7.3437 7.3450 7.4379 7.4423 7.7576 7.7640 7.9271 7.9354 8.5692 8.5707 9.2678 9.2698 9.3946 9.3964 9.5320 9.5330 9.8119 9.8124 9.9590 9.9591 9.9885 9.9890 10.9926 10.9932 12.7115 12.7118 14.9978 14.9996 15.9285 15.9286 k = 0.0000 0.5774-0.0000 ( 1792 PWs) bands (ev): -0.3992 -0.3992 0.2055 0.2055 4.6402 4.6402 7.3033 7.3033 7.3335 7.3335 7.4236 7.4236 7.7616 7.7616 7.9409 7.9409 8.5681 8.5681 9.2672 9.2672 9.3941 9.3941 9.5305 9.5305 9.8121 9.8121 9.9592 9.9592 9.9888 9.9888 10.9896 10.9896 12.7137 12.7137 15.0203 15.0203 15.9220 15.9220 k = 0.0000 0.5774-0.0000 ( 1792 PWs) bands (ev): -0.3992 -0.3992 0.2055 0.2055 4.6402 4.6402 7.3033 7.3033 7.3335 7.3335 7.4236 7.4236 7.7616 7.7616 7.9409 7.9409 8.5681 8.5681 9.2672 9.2672 9.3941 9.3941 9.5305 9.5305 9.8121 9.8121 9.9592 9.9592 9.9888 9.9888 10.9896 10.9896 12.7137 12.7137 15.0203 15.0203 15.9220 15.9220 k = 0.0000 0.5774 0.0112 ( 1788 PWs) bands (ev): -0.3986 -0.3986 0.2056 0.2056 4.6389 4.6389 7.2724 7.2744 7.3041 7.3042 7.4788 7.4815 7.7575 7.7580 7.9479 7.9480 8.5661 8.5664 9.2674 9.2677 9.3943 9.3946 9.5314 9.5317 9.8116 9.8123 9.9586 9.9589 9.9902 9.9907 10.9922 10.9922 12.7169 12.7171 15.0097 15.0100 15.9233 15.9236 k = 0.0000 0.5774 0.0225 ( 1784 PWs) bands (ev): -0.3968 -0.3967 0.2059 0.2060 4.6351 4.6351 7.1802 7.1820 7.3055 7.3055 7.5603 7.5638 7.7479 7.7490 7.9673 7.9674 8.5605 8.5611 9.2681 9.2689 9.3951 9.3957 9.5342 9.5348 9.8111 9.8123 9.9574 9.9577 9.9949 9.9959 10.9997 10.9998 12.7268 12.7270 14.9790 14.9794 15.9277 15.9281 k = 0.0000 0.5774 0.0337 ( 1782 PWs) bands (ev): -0.3937 -0.3936 0.2064 0.2065 4.6288 4.6288 7.0826 7.0842 7.3077 7.3078 7.6364 7.6412 7.7395 7.7416 7.9954 7.9955 8.5514 8.5524 9.2695 9.2707 9.3964 9.3974 9.5385 9.5394 9.8102 9.8119 9.9554 9.9557 10.0031 10.0047 11.0123 11.0123 12.7432 12.7436 14.9296 14.9303 15.9349 15.9356 k = 0.0000 0.5774 0.0449 ( 1784 PWs) bands (ev): -0.3893 -0.3893 0.2071 0.2071 4.6201 4.6202 6.9824 6.9839 7.3109 7.3111 7.6835 7.6881 7.7579 7.7595 8.0291 8.0293 8.5392 8.5406 9.2715 9.2730 9.3983 9.3995 9.5443 9.5453 9.8087 9.8109 9.9528 9.9529 10.0145 10.0169 11.0299 11.0299 12.7662 12.7667 14.8639 14.8647 15.9451 15.9459 k = 0.0000 0.5774 0.0562 ( 1784 PWs) bands (ev): -0.3838 -0.3837 0.2079 0.2080 4.6094 4.6095 6.8805 6.8819 7.3152 7.3153 7.6861 7.6881 7.8188 7.8201 8.0666 8.0670 8.5242 8.5261 9.2740 9.2760 9.4007 9.4022 9.5511 9.5522 9.8067 9.8093 9.9493 9.9495 10.0298 10.0327 11.0525 11.0526 12.7959 12.7965 14.7846 14.7855 15.9582 15.9591 k = 0.0000 0.5774 0.0674 ( 1786 PWs) bands (ev): -0.3770 -0.3770 0.2088 0.2089 4.5967 4.5968 6.7776 6.7788 7.3203 7.3203 7.6780 7.6791 7.8860 7.8888 8.1067 8.1073 8.5068 8.5094 9.2772 9.2794 9.4035 9.4053 9.5583 9.5593 9.8040 9.8069 9.9450 9.9455 10.0491 10.0525 11.0801 11.0802 12.8321 12.8328 14.6940 14.6951 15.9741 15.9751 k = 0.0000 0.5774 0.0786 ( 1778 PWs) bands (ev): -0.3691 -0.3690 0.2098 0.2099 4.5824 4.5825 6.6741 6.6752 7.3266 7.3267 7.6700 7.6705 7.9506 7.9546 8.1483 8.1492 8.4877 8.4910 9.2809 9.2835 9.4068 9.4088 9.5656 9.5665 9.8006 9.8037 9.9401 9.9409 10.0727 10.0763 11.1127 11.1128 12.8748 12.8756 14.5947 14.5958 15.9929 15.9939 k = 0.0000 0.5774 0.0899 ( 1780 PWs) bands (ev): -0.3600 -0.3600 0.2108 0.2109 4.5667 4.5669 6.5703 6.5713 7.3335 7.3336 7.6638 7.6640 8.0105 8.0159 8.1905 8.1917 8.4676 8.4720 9.2851 9.2881 9.4105 9.4128 9.5725 9.5731 9.7961 9.7993 9.9344 9.9354 10.1006 10.1044 11.1502 11.1502 12.9238 12.9246 14.4884 14.4896 16.0144 16.0155 k = 0.0000 0.5774 0.1011 ( 1772 PWs) bands (ev): -0.3498 -0.3498 0.2117 0.2118 4.5501 4.5502 6.4665 6.4675 7.3414 7.3416 7.6600 7.6602 8.0650 8.0721 8.2316 8.2335 8.4480 8.4535 9.2899 9.2933 9.4147 9.4173 9.5787 9.5790 9.7907 9.7939 9.9280 9.9293 10.1332 10.1370 11.1926 11.1926 12.9788 12.9797 14.3770 14.3782 16.0386 16.0399 k = 0.0000 0.5774 0.1123 ( 1772 PWs) bands (ev): -0.3386 -0.3385 0.2125 0.2126 4.5327 4.5329 6.3632 6.3640 7.3501 7.3505 7.6589 7.6594 8.1132 8.1227 8.2690 8.2724 8.4315 8.4381 9.2951 9.2988 9.4192 9.4221 9.5839 9.5840 9.7839 9.7871 9.9209 9.9225 10.1698 10.1735 11.2396 11.2396 13.0394 13.0405 14.2617 14.2630 16.0302 16.0320 k = 0.0000 0.5774 0.1236 ( 1768 PWs) bands (ev): -0.3263 -0.3261 0.2131 0.2132 4.5151 4.5153 6.2605 6.2613 7.3598 7.3603 7.6605 7.6614 8.1545 8.1677 8.2961 8.3032 8.4248 8.4316 9.3007 9.3048 9.4241 9.4273 9.5877 9.5883 9.7758 9.7790 9.9131 9.9150 10.2106 10.2142 11.2913 11.2914 13.1052 13.1063 14.1436 14.1450 15.9253 15.9265 k = 0.0000 0.5774 0.1348 ( 1768 PWs) bands (ev): -0.3129 -0.3128 0.2134 0.2135 4.4975 4.4977 6.1588 6.1595 7.3702 7.3710 7.6650 7.6662 8.1873 8.2065 8.3040 8.3190 8.4372 8.4423 9.3067 9.3112 9.4294 9.4329 9.5905 9.5915 9.7663 9.7694 9.9046 9.9068 10.2554 10.2587 11.3475 11.3476 13.1751 13.1762 14.0237 14.0251 15.8237 15.8249 k = 0.0000 0.5774 0.1460 ( 1772 PWs) bands (ev): -0.2987 -0.2985 0.2133 0.2135 4.4803 4.4805 6.0582 6.0589 7.3815 7.3825 7.6722 7.6738 8.2087 8.2376 8.2954 8.3220 8.4675 8.4708 9.3131 9.3180 9.4350 9.4388 9.5921 9.5937 9.7553 9.7582 9.8955 9.8979 10.3038 10.3070 11.4080 11.4082 13.2480 13.2493 13.9028 13.9042 15.7278 15.7289 k = 0.0000 0.5774 0.1573 ( 1770 PWs) bands (ev): -0.2835 -0.2834 0.2128 0.2130 4.4639 4.4641 5.9591 5.9598 7.3937 7.3950 7.6821 7.6840 8.2150 8.2507 8.2900 8.3245 8.5064 8.5089 9.3197 9.3249 9.4409 9.4450 9.5927 9.5947 9.7429 9.7456 9.8860 9.8886 10.3559 10.3589 11.4726 11.4729 13.3224 13.3238 13.7816 13.7831 15.6389 15.6400 k = 0.0000 0.5774 0.1685 ( 1772 PWs) bands (ev): -0.2675 -0.2673 0.2118 0.2120 4.4487 4.4488 5.8617 5.8623 7.4067 7.4082 7.6945 7.6967 8.2062 8.2349 8.3040 8.3320 8.5486 8.5508 9.3266 9.3322 9.4472 9.4515 9.5924 9.5948 9.7290 9.7316 9.8757 9.8785 10.4114 10.4141 11.5413 11.5416 13.3955 13.3970 13.6615 13.6630 15.5587 15.5599 k = 0.0000 0.5774 0.1797 ( 1764 PWs) bands (ev): -0.2507 -0.2505 0.2102 0.2104 4.4349 4.4351 5.7661 5.7667 7.4207 7.4225 7.7094 7.7120 8.1878 8.2095 8.3206 8.3421 8.5921 8.5942 9.3338 9.3397 9.4538 9.4584 9.5913 9.5942 9.7137 9.7161 9.8649 9.8680 10.4701 10.4726 11.6136 11.6140 13.4563 13.4586 13.5516 13.5524 15.4895 15.4906 k = 0.0000 0.5774 0.1910 ( 1764 PWs) bands (ev): -0.2332 -0.2330 0.2079 0.2081 4.4230 4.4231 5.6726 5.6731 7.4353 7.4374 7.7265 7.7294 8.1643 8.1816 8.3337 8.3511 8.6359 8.6379 9.3411 9.3474 9.4606 9.4653 9.5893 9.5925 9.6970 9.6993 9.8536 9.8569 10.5317 10.5340 11.6893 11.6899 13.4029 13.4055 13.5510 13.5517 15.4337 15.4348 k = 0.0000 0.5774 0.2022 ( 1766 PWs) bands (ev): -0.2150 -0.2149 0.2048 0.2050 4.4133 4.4134 5.5812 5.5817 7.4505 7.4529 7.7458 7.7491 8.1382 8.1526 8.3427 8.3575 8.6795 8.6814 9.3485 9.3550 9.4675 9.4724 9.5865 9.5901 9.6794 9.6815 9.8418 9.8452 10.5962 10.5984 11.7683 11.7690 13.2875 13.2899 13.6047 13.6056 15.3942 15.3953 k = 0.0000 0.5774 0.2134 ( 1768 PWs) bands (ev): -0.1963 -0.1961 0.2009 0.2011 4.4060 4.4060 5.4924 5.4928 7.4668 7.4695 7.7670 7.7706 8.1105 8.1229 8.3476 8.3607 8.7227 8.7246 9.3558 9.3625 9.4741 9.4791 9.5832 9.5870 9.6609 9.6627 9.8296 9.8332 10.6633 10.6652 11.8501 11.8510 13.1690 13.1717 13.6502 13.6512 15.3740 15.3751 k = 0.0000 0.5774 0.2247 ( 1768 PWs) bands (ev): -0.1771 -0.1769 0.1960 0.1962 4.4014 4.4014 5.4061 5.4065 7.4840 7.4868 7.7899 7.7939 8.0821 8.0931 8.3485 8.3604 8.7652 8.7672 9.3628 9.3698 9.4803 9.4854 9.5793 9.5833 9.6421 9.6437 9.8171 9.8209 10.7331 10.7349 11.9344 11.9357 13.0509 13.0538 13.6812 13.6823 15.3756 15.3767 k = 0.0000 0.5774 0.2359 ( 1768 PWs) bands (ev): -0.1575 -0.1573 0.1902 0.1904 4.3997 4.3998 5.3226 5.3230 7.5019 7.5050 7.8145 7.8187 8.0533 8.0632 8.3456 8.3566 8.8072 8.8092 9.3695 9.3765 9.4856 9.4905 9.5750 9.5790 9.6239 9.6253 9.8043 9.8083 10.8054 10.8071 12.0209 12.0226 12.9338 12.9370 13.6950 13.6960 15.4008 15.4018 k = 0.0000 0.5774 0.2471 ( 1768 PWs) bands (ev): -0.1376 -0.1374 0.1834 0.1836 4.4013 4.4013 5.2420 5.2423 7.5206 7.5239 7.8406 7.8450 8.0243 8.0334 8.3393 8.3495 8.8484 8.8504 9.3754 9.3823 9.4890 9.4936 9.5700 9.5741 9.6077 9.6090 9.7912 9.7954 10.8801 10.8817 12.1091 12.1114 12.8179 12.8218 13.6907 13.6917 15.4492 15.4502 k = 0.0000 0.5774 0.2584 ( 1768 PWs) bands (ev): -0.1175 -0.1173 0.1755 0.1757 4.4063 4.4063 5.1644 5.1648 7.5400 7.5436 7.8678 7.8725 7.9953 8.0037 8.3296 8.3393 8.8889 8.8910 9.3800 9.3866 9.4896 9.4934 9.5636 9.5681 9.5958 9.5973 9.7780 9.7823 10.9572 10.9586 12.1985 12.2020 12.7034 12.7084 13.6691 13.6701 15.5192 15.5201 k = 0.0000 0.5774 0.2696 ( 1766 PWs) bands (ev): -0.0972 -0.0970 0.1666 0.1668 4.4148 4.4148 5.0901 5.0904 7.5603 7.5641 7.8961 7.9010 7.9664 7.9743 8.3169 8.3262 8.9286 8.9307 9.3824 9.3882 9.4869 9.4895 9.5558 9.5611 9.5898 9.5923 9.7646 9.7691 11.0366 11.0379 12.2877 12.2938 12.5906 12.5982 13.6322 13.6332 15.6077 15.6086 k = 0.0000 0.5774 0.2808 ( 1770 PWs) bands (ev): -0.0769 -0.0767 0.1565 0.1568 4.4271 4.4271 5.0191 5.0194 7.5812 7.5852 7.9250 7.9292 7.9389 7.9452 8.3014 8.3103 8.9676 8.9698 9.3808 9.3852 9.4820 9.4826 9.5476 9.5537 9.5897 9.5930 9.7510 9.7556 11.1183 11.1194 12.3691 12.3862 12.4798 12.4984 13.5824 13.5834 15.7111 15.7119 k = 0.0000 0.5774 0.2921 ( 1770 PWs) bands (ev): -0.0567 -0.0565 0.1454 0.1456 4.4433 4.4433 4.9516 4.9518 7.6028 7.6070 7.9088 7.9159 7.9552 7.9608 8.2834 8.2919 9.0059 9.0081 9.3735 9.3759 9.4763 9.4781 9.5398 9.5465 9.5938 9.5980 9.7373 9.7421 11.2021 11.2032 12.3546 12.3687 12.4813 12.4969 13.5223 13.5233 15.8254 15.8263 k = 0.0000 0.5774 0.3033 ( 1774 PWs) bands (ev): -0.0367 -0.0364 0.1332 0.1334 4.4634 4.4634 4.8876 4.8879 7.6251 7.6295 7.8807 7.8874 7.9852 7.9911 8.2631 8.2713 9.0434 9.0457 9.3591 9.3598 9.4732 9.4772 9.5323 9.5394 9.6008 9.6056 9.7236 9.7285 11.2882 11.2891 12.2564 12.2612 12.5749 12.5813 13.4539 13.4549 15.9469 15.9478 k = 0.0000 0.5774 0.3145 ( 1774 PWs) bands (ev): -0.0169 -0.0166 0.1199 0.1202 4.4875 4.4876 4.8273 4.8276 7.6480 7.6526 7.8529 7.8593 8.0157 8.0218 8.2407 8.2487 9.0804 9.0826 9.3380 9.3386 9.4738 9.4794 9.5246 9.5321 9.6099 9.6151 9.7099 9.7150 11.3764 11.3771 12.1528 12.1552 12.6690 12.6730 13.3791 13.3802 16.0717 16.0726 k = 0.0000 0.5774 0.3258 ( 1778 PWs) bands (ev): 0.0025 0.0027 0.1057 0.1059 4.5157 4.5158 4.7709 4.7711 7.6715 7.6763 7.8255 7.8316 8.0462 8.0524 8.2165 8.2241 9.1165 9.1187 9.3120 9.3133 9.4772 9.4838 9.5172 9.5248 9.6204 9.6257 9.6963 9.7015 11.4666 11.4672 12.0496 12.0510 12.7628 12.7658 13.2992 13.3004 16.1960 16.1970 k = 0.0000 0.5774 0.3370 ( 1774 PWs) bands (ev): 0.0214 0.0217 0.0905 0.0908 4.5480 4.5482 4.7183 4.7185 7.6959 7.7009 7.7985 7.8044 8.0764 8.0829 8.1907 8.1982 9.1520 9.1543 9.2831 9.2849 9.4823 9.4895 9.5098 9.5176 9.6318 9.6372 9.6828 9.6881 11.5590 11.5594 11.9480 11.9487 12.8561 12.8584 13.2155 13.2168 16.3159 16.3169 k = 0.0000 0.5774 0.3482 ( 1774 PWs) bands (ev): 0.0398 0.0400 0.0744 0.0746 4.5845 4.5846 4.6696 4.6698 7.7207 7.7259 7.7720 7.7777 8.1062 8.1129 8.1636 8.1708 9.1865 9.1887 9.2523 9.2543 9.4885 9.4960 9.5025 9.5103 9.6439 9.6494 9.6695 9.6749 11.6534 11.6537 11.8480 11.8483 12.9485 12.9504 13.1287 13.1301 16.4271 16.4282 k = 0.0000 0.5774 0.3595 ( 1780 PWs) bands (ev): 0.0574 0.0574 0.0577 0.0577 4.6250 4.6250 4.6252 4.6252 7.7461 7.7461 7.7515 7.7515 8.1353 8.1353 8.1422 8.1422 9.2199 9.2199 9.2220 9.2220 9.4953 9.4953 9.5030 9.5030 9.6565 9.6565 9.6619 9.6619 11.7498 11.7498 11.7499 11.7499 13.0395 13.0395 13.0411 13.0411 16.5256 16.5256 k = 0.0000 0.5774 0.3595 ( 1780 PWs) bands (ev): 0.0574 0.0574 0.0577 0.0577 4.6250 4.6250 4.6252 4.6252 7.7461 7.7461 7.7515 7.7515 8.1353 8.1353 8.1422 8.1422 9.2199 9.2199 9.2220 9.2220 9.4953 9.4953 9.5030 9.5030 9.6565 9.6565 9.6619 9.6619 11.7498 11.7498 11.7499 11.7499 13.0395 13.0395 13.0411 13.0411 16.5256 16.5256 k = 0.0115 0.5774 0.3595 ( 1780 PWs) bands (ev): 0.0579 0.0579 0.0584 0.0584 4.6263 4.6263 4.6265 4.6265 7.7396 7.7396 7.7493 7.7493 8.1347 8.1347 8.1444 8.1444 9.2182 9.2182 9.2234 9.2234 9.4927 9.4927 9.5069 9.5069 9.6546 9.6546 9.6633 9.6633 11.7330 11.7330 11.7388 11.7388 13.0502 13.0502 13.0620 13.0620 16.5286 16.5286 k = 0.0230 0.5774 0.3595 ( 1772 PWs) bands (ev): 0.0594 0.0594 0.0603 0.0603 4.6302 4.6302 4.6306 4.6306 7.7233 7.7233 7.7397 7.7397 8.1344 8.1344 8.1492 8.1492 9.2159 9.2159 9.2254 9.2254 9.4891 9.4891 9.5144 9.5144 9.6509 9.6509 9.6657 9.6657 11.6910 11.6910 11.7015 11.7015 13.0902 13.0902 13.1125 13.1125 16.5403 16.5403 k = 0.0345 0.5774 0.3595 ( 1770 PWs) bands (ev): 0.0619 0.0619 0.0633 0.0633 4.6368 4.6368 4.6373 4.6373 7.6989 7.6989 7.7218 7.7218 8.1353 8.1353 8.1551 8.1551 9.2133 9.2133 9.2270 9.2270 9.4863 9.4863 9.5233 9.5233 9.6463 9.6463 9.6680 9.6680 11.6293 11.6293 11.6431 11.6431 13.1550 13.1550 13.1862 13.1862 16.5612 16.5612 k = 0.0460 0.5774 0.3595 ( 1768 PWs) bands (ev): 0.0656 0.0656 0.0675 0.0675 4.6460 4.6460 4.6467 4.6467 7.6671 7.6671 7.6955 7.6955 8.1373 8.1373 8.1614 8.1614 9.2108 9.2108 9.2283 9.2283 9.4843 9.4843 9.5335 9.5335 9.6410 9.6410 9.6704 9.6704 11.5542 11.5542 11.5696 11.5696 13.2381 13.2381 13.2767 13.2767 16.5913 16.5913 k = 0.0575 0.5774 0.3595 ( 1772 PWs) bands (ev): 0.0704 0.0704 0.0726 0.0726 4.6579 4.6579 4.6586 4.6586 7.6284 7.6284 7.6614 7.6614 8.1400 8.1400 8.1675 8.1675 9.2082 9.2082 9.2290 9.2290 9.4830 9.4830 9.5449 9.5449 9.6351 9.6351 9.6730 9.6730 11.4709 11.4709 11.4866 11.4866 13.3336 13.3336 13.3783 13.3783 16.6309 16.6309 k = 0.0690 0.5774 0.3595 ( 1772 PWs) bands (ev): 0.0761 0.0761 0.0789 0.0789 4.6724 4.6724 4.6732 4.6732 7.5835 7.5835 7.6202 7.6202 8.1430 8.1430 8.1733 8.1733 9.2058 9.2058 9.2293 9.2293 9.4822 9.4822 9.5571 9.5571 9.6288 9.6288 9.6761 9.6761 11.3834 11.3834 11.3987 11.3987 13.4368 13.4368 13.4866 13.4866 16.6798 16.6798 k = 0.0805 0.5774 0.3595 ( 1776 PWs) bands (ev): 0.0829 0.0829 0.0861 0.0861 4.6894 4.6894 4.6904 4.6904 7.5325 7.5325 7.5723 7.5723 8.1460 8.1460 8.1784 8.1784 9.2036 9.2036 9.2291 9.2291 9.4815 9.4815 9.5697 9.5697 9.6226 9.6226 9.6799 9.6799 11.2946 11.2946 11.3089 11.3089 13.5440 13.5440 13.5982 13.5982 16.7383 16.7383 k = 0.0920 0.5774 0.3595 ( 1772 PWs) bands (ev): 0.0906 0.0906 0.0943 0.0943 4.7091 4.7091 4.7101 4.7101 7.4760 7.4760 7.5182 7.5182 8.1489 8.1489 8.1829 8.1829 9.2015 9.2015 9.2285 9.2285 9.4806 9.4806 9.5810 9.5810 9.6183 9.6183 9.6849 9.6849 11.2067 11.2067 11.2194 11.2194 13.6526 13.6526 13.7106 13.7106 16.8060 16.8060 k = 0.1034 0.5774 0.3595 ( 1772 PWs) bands (ev): 0.0993 0.0993 0.1033 0.1033 4.7314 4.7314 4.7324 4.7324 7.4141 7.4141 7.4583 7.4583 8.1513 8.1513 8.1866 8.1866 9.1996 9.1996 9.2275 9.2275 9.4792 9.4792 9.5861 9.5861 9.6205 9.6205 9.6912 9.6912 11.1210 11.1210 11.1320 11.1320 13.7604 13.7604 13.8217 13.8217 16.8830 16.8830 k = 0.1149 0.5774 0.3595 ( 1776 PWs) bands (ev): 0.1087 0.1087 0.1132 0.1132 4.7562 4.7562 4.7571 4.7571 7.3473 7.3473 7.3931 7.3931 8.1532 8.1532 8.1895 8.1895 9.1978 9.1978 9.2262 9.2262 9.4770 9.4770 9.5823 9.5823 9.6320 9.6320 9.6990 9.6990 11.0385 11.0385 11.0475 11.0475 13.8659 13.8659 13.9301 13.9301 16.9688 16.9688 k = 0.1264 0.5774 0.3595 ( 1780 PWs) bands (ev): 0.1190 0.1190 0.1239 0.1239 4.7835 4.7835 4.7844 4.7844 7.2759 7.2759 7.3231 7.3231 8.1544 8.1544 8.1915 8.1915 9.1963 9.1963 9.2247 9.2247 9.4737 9.4737 9.5740 9.5740 9.6485 9.6485 9.7086 9.7086 10.9599 10.9599 10.9668 10.9668 13.9679 13.9679 14.0345 14.0345 17.0627 17.0627 k = 0.1379 0.5774 0.3595 ( 1780 PWs) bands (ev): 0.1299 0.1299 0.1352 0.1352 4.8133 4.8133 4.8140 4.8140 7.2003 7.2003 7.2486 7.2486 8.1551 8.1551 8.1929 8.1929 9.1950 9.1950 9.2233 9.2233 9.4692 9.4692 9.5640 9.5640 9.6672 9.6672 9.7200 9.7200 10.8854 10.8854 10.8904 10.8904 14.0657 14.0657 14.1343 14.1343 17.1641 17.1641 k = 0.1494 0.5774 0.3595 ( 1780 PWs) bands (ev): 0.1414 0.1414 0.1471 0.1471 4.8455 4.8455 4.8460 4.8460 7.1210 7.1210 7.1704 7.1704 8.1554 8.1554 8.1936 8.1936 9.1941 9.1941 9.2219 9.2219 9.4635 9.4635 9.5530 9.5530 9.6873 9.6873 9.7331 9.7331 10.8151 10.8151 10.8187 10.8187 14.1585 14.1585 14.2287 14.2287 17.2718 17.2718 k = 0.1609 0.5774 0.3595 ( 1776 PWs) bands (ev): 0.1534 0.1534 0.1595 0.1595 4.8800 4.8800 4.8803 4.8803 7.0385 7.0385 7.0888 7.0888 8.1551 8.1551 8.1938 8.1938 9.1935 9.1935 9.2208 9.2208 9.4567 9.4567 9.5415 9.5415 9.7085 9.7085 9.7479 9.7479 10.7485 10.7485 10.7522 10.7522 14.2460 14.2460 14.3176 14.3176 17.3845 17.3845 k = 0.1724 0.5774 0.3595 ( 1776 PWs) bands (ev): 0.1658 0.1658 0.1723 0.1723 4.9165 4.9165 4.9171 4.9171 6.9532 6.9532 7.0044 7.0044 8.1544 8.1544 8.1934 8.1934 9.1933 9.1933 9.2199 9.2199 9.4487 9.4487 9.5295 9.5295 9.7306 9.7306 9.7643 9.7643 10.6855 10.6855 10.6908 10.6908 14.3280 14.3280 14.4006 14.4006 17.5006 17.5006 k = 0.1839 0.5774 0.3595 ( 1770 PWs) bands (ev): 0.1785 0.1785 0.1854 0.1854 4.9551 4.9551 4.9562 4.9562 6.8657 6.8657 6.9179 6.9179 8.1534 8.1534 8.1926 8.1926 9.1936 9.1936 9.2197 9.2197 9.4399 9.4399 9.5173 9.5173 9.7535 9.7535 9.7819 9.7819 10.6264 10.6264 10.6341 10.6341 14.4045 14.4045 14.4777 14.4777 17.6186 17.6186 k = 0.1954 0.5774 0.3595 ( 1774 PWs) bands (ev): 0.1913 0.1913 0.1985 0.1985 4.9956 4.9956 4.9974 4.9974 6.7767 6.7767 6.8300 6.8300 8.1519 8.1519 8.1913 8.1913 9.1942 9.1942 9.2198 9.2198 9.4302 9.4302 9.5048 9.5048 9.7771 9.7771 9.8007 9.8007 10.5712 10.5712 10.5815 10.5815 14.4754 14.4754 14.5491 14.5491 17.7364 17.7364 k = 0.2069 0.5774 0.3595 ( 1770 PWs) bands (ev): 0.2042 0.2042 0.2117 0.2117 5.0379 5.0379 5.0407 5.0407 6.6867 6.6867 6.7413 6.7413 8.1502 8.1502 8.1898 8.1898 9.1953 9.1953 9.2207 9.2207 9.4198 9.4198 9.4924 9.4924 9.8013 9.8013 9.8204 9.8204 10.5197 10.5197 10.5330 10.5330 14.5407 14.5407 14.6147 14.6147 17.8523 17.8523 k = 0.2184 0.5774 0.3595 ( 1766 PWs) bands (ev): 0.2169 0.2169 0.2247 0.2247 5.0818 5.0818 5.0859 5.0859 6.5966 6.5966 6.6525 6.6525 8.1485 8.1485 8.1882 8.1882 9.1968 9.1968 9.2223 9.2223 9.4089 9.4089 9.4801 9.4801 9.8259 9.8259 9.8408 9.8408 10.4716 10.4716 10.4880 10.4880 14.6005 14.6005 14.6747 14.6747 17.9643 17.9643 k = 0.2299 0.5774 0.3595 ( 1762 PWs) bands (ev): 0.2292 0.2292 0.2373 0.2373 5.1270 5.1270 5.1327 5.1327 6.5069 6.5069 6.5646 6.5646 8.1466 8.1466 8.1864 8.1864 9.1989 9.1989 9.2246 9.2246 9.3976 9.3976 9.4679 9.4679 9.8510 9.8510 9.8619 9.8619 10.4266 10.4266 10.4464 10.4464 14.6550 14.6550 14.7292 14.7292 18.0704 18.0704 k = 0.2414 0.5774 0.3595 ( 1766 PWs) bands (ev): 0.2411 0.2411 0.2495 0.2495 5.1731 5.1731 5.1809 5.1809 6.4184 6.4184 6.4783 6.4783 8.1445 8.1445 8.1844 8.1844 9.2012 9.2012 9.2278 9.2278 9.3859 9.3859 9.4561 9.4561 9.8761 9.8761 9.8834 9.8834 10.3845 10.3845 10.4080 10.4080 14.7040 14.7040 14.7783 14.7783 18.1666 18.1666 k = 0.2529 0.5774 0.3595 ( 1770 PWs) bands (ev): 0.2523 0.2523 0.2610 0.2610 5.2197 5.2197 5.2302 5.2302 6.3320 6.3320 6.3947 6.3947 8.1426 8.1426 8.1826 8.1826 9.2040 9.2040 9.2318 9.2318 9.3739 9.3739 9.4447 9.4447 9.9004 9.9004 9.9059 9.9059 10.3449 10.3449 10.3726 10.3726 14.7477 14.7477 14.8220 14.8220 18.2497 18.2497 k = 0.2644 0.5774 0.3595 ( 1770 PWs) bands (ev): 0.2627 0.2627 0.2716 0.2716 5.2661 5.2661 5.2800 5.2800 6.2487 6.2487 6.3149 6.3149 8.1407 8.1407 8.1807 8.1807 9.2071 9.2071 9.2368 9.2368 9.3619 9.3619 9.4340 9.4340 9.9228 9.9228 9.9302 9.9302 10.3079 10.3079 10.3404 10.3404 14.7860 14.7860 14.8602 14.8602 18.3214 18.3214 k = 0.2759 0.5774 0.3595 ( 1766 PWs) bands (ev): 0.2721 0.2721 0.2811 0.2811 5.3113 5.3113 5.3295 5.3295 6.1698 6.1698 6.2404 6.2404 8.1390 8.1390 8.1790 8.1790 9.2104 9.2104 9.2428 9.2428 9.3498 9.3498 9.4242 9.4242 9.9433 9.9433 9.9557 9.9557 10.2732 10.2732 10.3114 10.3114 14.8189 14.8189 14.8931 14.8931 18.3817 18.3817 k = 0.2874 0.5774 0.3595 ( 1768 PWs) bands (ev): 0.2802 0.2802 0.2894 0.2894 5.3537 5.3537 5.3775 5.3775 6.0970 6.0970 6.1731 6.1731 8.1374 8.1374 8.1775 8.1775 9.2136 9.2136 9.2498 9.2498 9.3377 9.3377 9.4154 9.4154 9.9622 9.9622 9.9811 9.9811 10.2408 10.2408 10.2857 10.2857 14.8461 14.8461 14.9203 14.9203 18.4300 18.4300 k = 0.2989 0.5774 0.3595 ( 1772 PWs) bands (ev): 0.2869 0.2869 0.2962 0.2962 5.3915 5.3915 5.4218 5.4218 6.0327 6.0327 6.1154 6.1154 8.1361 8.1361 8.1761 8.1761 9.2167 9.2167 9.2577 9.2577 9.3256 9.3256 9.4079 9.4079 9.9788 9.9788 10.0058 10.0058 10.2110 10.2110 10.2641 10.2641 14.8676 14.8676 14.9418 14.9418 18.4662 18.4662 k = 0.3103 0.5774 0.3595 ( 1776 PWs) bands (ev): 0.2919 0.2919 0.3013 0.3013 5.4218 5.4218 5.4591 5.4591 5.9807 5.9807 6.0704 6.0704 8.1351 8.1351 8.1751 8.1751 9.2193 9.2193 9.2667 9.2667 9.3136 9.3136 9.4021 9.4021 9.9920 9.9920 10.0284 10.0284 10.1849 10.1849 10.2474 10.2474 14.8832 14.8832 14.9574 14.9574 18.4904 18.4904 k = 0.3218 0.5774 0.3595 ( 1776 PWs) bands (ev): 0.2950 0.2950 0.3045 0.3045 5.4416 5.4416 5.4848 5.4848 5.9460 5.9460 6.0416 6.0416 8.1344 8.1344 8.1745 8.1745 9.2211 9.2211 9.2764 9.2764 9.3021 9.3021 9.3984 9.3984 10.0007 10.0007 10.0463 10.0463 10.1651 10.1651 10.2368 10.2368 14.8927 14.8927 14.9670 14.9670 18.5036 18.5036 k = 0.3333 0.5774 0.3595 ( 1776 PWs) bands (ev): 0.2961 0.2961 0.3056 0.3056 5.4484 5.4484 5.4940 5.4940 5.9338 5.9338 6.0318 6.0318 8.1342 8.1342 8.1742 8.1742 9.2217 9.2217 9.2840 9.2840 9.2938 9.2938 9.3971 9.3971 10.0037 10.0037 10.0538 10.0538 10.1571 10.1571 10.2332 10.2332 14.8960 14.8960 14.9702 14.9702 18.5074 18.5074 k = 0.3333 0.5774 0.3595 ( 1776 PWs) bands (ev): 0.2961 0.2961 0.3056 0.3056 5.4484 5.4484 5.4940 5.4940 5.9338 5.9338 6.0318 6.0318 8.1342 8.1342 8.1742 8.1742 9.2217 9.2217 9.2840 9.2840 9.2938 9.2938 9.3971 9.3971 10.0037 10.0037 10.0538 10.0538 10.1571 10.1571 10.2332 10.2332 14.8960 14.8960 14.9702 14.9702 18.5074 18.5074 k = 0.3276 0.5674 0.3595 ( 1776 PWs) bands (ev): 0.2950 0.2950 0.3045 0.3045 5.4420 5.4420 5.4853 5.4853 5.9456 5.9456 6.0414 6.0414 8.1345 8.1345 8.1745 8.1745 9.2210 9.2210 9.2757 9.2757 9.3028 9.3028 9.3985 9.3985 10.0007 10.0007 10.0464 10.0464 10.1649 10.1649 10.2366 10.2366 14.8926 14.8926 14.9668 14.9668 18.5045 18.5045 k = 0.3218 0.5574 0.3595 ( 1776 PWs) bands (ev): 0.2914 0.2914 0.3008 0.3008 5.4249 5.4249 5.4629 5.4629 5.9777 5.9777 6.0680 6.0680 8.1353 8.1353 8.1753 8.1753 9.2187 9.2187 9.2645 9.2645 9.3158 9.3158 9.4028 9.4028 9.9925 9.9925 10.0292 10.0292 10.1838 10.1838 10.2466 10.2466 14.8828 14.8828 14.9569 14.9569 18.4964 18.4964 k = 0.3161 0.5475 0.3595 ( 1768 PWs) bands (ev): 0.2852 0.2852 0.2945 0.2945 5.4009 5.4009 5.4328 5.4328 6.0240 6.0240 6.1082 6.1082 8.1366 8.1366 8.1766 8.1766 9.2151 9.2151 9.2532 9.2532 9.3303 9.3303 9.4099 9.4099 9.9802 9.9802 10.0081 10.0081 10.2080 10.2080 10.2618 10.2618 14.8664 14.8664 14.9404 14.9404 18.4851 18.4851 k = 0.3103 0.5375 0.3595 ( 1768 PWs) bands (ev): 0.2762 0.2762 0.2854 0.2854 5.3739 5.3739 5.4001 5.4001 6.0796 6.0796 6.1581 6.1581 8.1384 8.1384 8.1784 8.1784 9.2101 9.2101 9.2421 9.2421 9.3459 9.3459 9.4197 9.4197 9.9651 9.9651 9.9853 9.9853 10.2347 10.2347 10.2807 10.2807 14.8435 14.8435 14.9174 14.9174 18.4723 18.4723 k = 0.3046 0.5276 0.3595 ( 1768 PWs) bands (ev): 0.2643 0.2643 0.2733 0.2733 5.3465 5.3465 5.3682 5.3682 6.1412 6.1412 6.2152 6.2152 8.1407 8.1407 8.1807 8.1807 9.2040 9.2040 9.2311 9.2311 9.3626 9.3626 9.4319 9.4319 9.9484 9.9484 9.9625 9.9625 10.2628 10.2628 10.3025 10.3025 14.8142 14.8142 14.8879 14.8879 18.4594 18.4594 k = 0.2989 0.5176 0.3595 ( 1768 PWs) bands (ev): 0.2495 0.2495 0.2583 0.2583 5.3210 5.3210 5.3391 5.3391 6.2068 6.2068 6.2772 6.2772 8.1435 8.1435 8.1835 8.1835 9.1971 9.1971 9.2204 9.2204 9.3802 9.3802 9.4463 9.4463 9.9307 9.9307 9.9402 9.9402 10.2919 10.2919 10.3262 10.3262 14.7788 14.7788 14.8521 14.8521 18.4472 18.4472 k = 0.2931 0.5077 0.3595 ( 1770 PWs) bands (ev): 0.2315 0.2315 0.2401 0.2401 5.2988 5.2988 5.3141 5.3141 6.2752 6.2752 6.3428 6.3428 8.1469 8.1469 8.1869 8.1869 9.1895 9.1895 9.2100 9.2100 9.3986 9.3986 9.4624 9.4624 9.9124 9.9124 9.9195 9.9195 10.3216 10.3216 10.3514 10.3514 14.7375 14.7375 14.8104 14.8104 18.4362 18.4362 k = 0.2874 0.4977 0.3595 ( 1774 PWs) bands (ev): 0.2105 0.2105 0.2188 0.2188 5.2806 5.2806 5.2939 5.2939 6.3454 6.3454 6.4108 6.4108 8.1508 8.1508 8.1907 8.1907 9.1815 9.1815 9.1999 9.1999 9.4174 9.4174 9.4799 9.4799 9.8937 9.8937 9.9012 9.9012 10.3519 10.3519 10.3779 10.3779 14.6905 14.6905 14.7630 14.7630 18.4263 18.4263 k = 0.2816 0.4878 0.3595 ( 1774 PWs) bands (ev): 0.1864 0.1864 0.1944 0.1944 5.2673 5.2673 5.2790 5.2790 6.4169 6.4169 6.4806 6.4806 8.1553 8.1553 8.1950 8.1950 9.1733 9.1733 9.1900 9.1900 9.4366 9.4366 9.4985 9.4985 9.8756 9.8756 9.8855 9.8855 10.3828 10.3828 10.4054 10.4054 14.6385 14.6385 14.7104 14.7104 18.4173 18.4173 k = 0.2759 0.4778 0.3595 ( 1774 PWs) bands (ev): 0.1592 0.1592 0.1669 0.1669 5.2592 5.2592 5.2698 5.2698 6.4890 6.4890 6.5515 6.5515 8.1604 8.1604 8.1999 8.1999 9.1649 9.1649 9.1806 9.1806 9.4553 9.4553 9.5171 9.5171 9.8598 9.8598 9.8726 9.8726 10.4141 10.4141 10.4336 10.4336 14.5817 14.5817 14.6530 14.6530 18.4086 18.4086 k = 0.2701 0.4679 0.3595 ( 1776 PWs) bands (ev): 0.1290 0.1290 0.1364 0.1364 5.2565 5.2565 5.2663 5.2663 6.5613 6.5613 6.6230 6.6230 8.1661 8.1661 8.2053 8.2053 9.1563 9.1563 9.1715 9.1715 9.4729 9.4729 9.5348 9.5348 9.8476 9.8476 9.8633 9.8633 10.4459 10.4459 10.4626 10.4626 14.5206 14.5206 14.5913 14.5913 18.3994 18.3994 k = 0.2644 0.4579 0.3595 ( 1776 PWs) bands (ev): 0.0960 0.0960 0.1029 0.1029 5.2594 5.2594 5.2686 5.2686 6.6335 6.6335 6.6945 6.6945 8.1723 8.1723 8.2112 8.2112 9.1479 9.1479 9.1629 9.1629 9.4882 9.4882 9.5501 9.5501 9.8407 9.8407 9.8587 9.8587 10.4782 10.4782 10.4922 10.4922 14.4559 14.4559 14.5259 14.5259 18.3888 18.3888 k = 0.2586 0.4479 0.3595 ( 1776 PWs) bands (ev): 0.0601 0.0601 0.0667 0.0667 5.2679 5.2679 5.2768 5.2768 6.7053 6.7053 6.7657 6.7657 8.1789 8.1789 8.2174 8.2174 9.1395 9.1395 9.1548 9.1548 9.5003 9.5003 9.5612 9.5612 9.8412 9.8412 9.8602 9.8602 10.5109 10.5109 10.5225 10.5225 14.3879 14.3879 14.4573 14.4573 18.3734 18.3734 k = 0.2529 0.4380 0.3595 ( 1780 PWs) bands (ev): 0.0217 0.0217 0.0279 0.0279 5.2820 5.2820 5.2906 5.2906 6.7762 6.7762 6.8363 6.8363 8.1860 8.1860 8.2239 8.2239 9.1311 9.1311 9.1470 9.1470 9.5079 9.5079 9.5667 9.5667 9.8507 9.8507 9.8690 9.8690 10.5442 10.5442 10.5533 10.5533 14.3172 14.3172 14.3859 14.3859 18.3526 18.3526 k = 0.2471 0.4280 0.3595 ( 1784 PWs) bands (ev): -0.0192 -0.0192 -0.0134 -0.0134 5.3014 5.3014 5.3101 5.3101 6.8460 6.8460 6.9058 6.9058 8.1936 8.1936 8.2308 8.2308 9.1229 9.1229 9.1398 9.1398 9.5104 9.5104 9.5658 9.5658 9.8699 9.8699 9.8861 9.8861 10.5779 10.5779 10.5848 10.5848 14.2442 14.2442 14.3124 14.3124 18.3287 18.3287 k = 0.2414 0.4181 0.3595 ( 1784 PWs) bands (ev): -0.0624 -0.0624 -0.0569 -0.0569 5.3262 5.3262 5.3349 5.3349 6.9144 6.9144 6.9739 6.9739 8.2015 8.2015 8.2380 8.2380 9.1149 9.1149 9.1331 9.1331 9.5079 9.5079 9.5593 9.5593 9.8986 9.8986 9.9117 9.9117 10.6121 10.6121 10.6170 10.6170 14.1695 14.1695 14.2371 14.2371 18.3014 18.3014 k = 0.2356 0.4081 0.3595 ( 1786 PWs) bands (ev): -0.1075 -0.1075 -0.1024 -0.1024 5.3562 5.3562 5.3649 5.3649 6.9811 6.9811 7.0403 7.0403 8.2098 8.2098 8.2453 8.2453 9.1072 9.1072 9.1271 9.1271 9.5010 9.5010 9.5485 9.5485 9.9354 9.9354 9.9452 9.9452 10.6466 10.6466 10.6499 10.6499 14.0936 14.0936 14.1606 14.1606 18.2709 18.2709 k = 0.2299 0.3982 0.3595 ( 1786 PWs) bands (ev): -0.1545 -0.1545 -0.1497 -0.1497 5.3910 5.3910 5.4000 5.4000 7.0458 7.0458 7.1047 7.1047 8.2183 8.2183 8.2527 8.2527 9.0998 9.0998 9.1216 9.1216 9.4905 9.4905 9.5345 9.5345 9.9794 9.9794 9.9863 9.9863 10.6809 10.6809 10.6841 10.6841 14.0168 14.0168 14.0833 14.0833 18.2375 18.2375 k = 0.2241 0.3882 0.3595 ( 1786 PWs) bands (ev): -0.2030 -0.2030 -0.1986 -0.1986 5.4305 5.4305 5.4397 5.4397 7.1083 7.1083 7.1668 7.1668 8.2270 8.2270 8.2600 8.2600 9.0926 9.0926 9.1166 9.1166 9.4773 9.4773 9.5186 9.5186 10.0297 10.0297 10.0341 10.0341 10.7150 10.7150 10.7197 10.7197 13.9396 13.9396 14.0057 14.0057 18.2015 18.2015 k = 0.2184 0.3783 0.3595 ( 1790 PWs) bands (ev): -0.2530 -0.2530 -0.2489 -0.2489 5.4744 5.4744 5.4838 5.4838 7.1684 7.1684 7.2264 7.2264 8.2357 8.2357 8.2672 8.2672 9.0858 9.0858 9.1122 9.1122 9.4622 9.4622 9.5015 9.5015 10.0855 10.0855 10.0881 10.0881 10.7493 10.7493 10.7561 10.7561 13.8625 13.8625 13.9282 13.9282 18.1635 18.1635 k = 0.2126 0.3683 0.3595 ( 1786 PWs) bands (ev): -0.3040 -0.3040 -0.3003 -0.3003 5.5225 5.5225 5.5322 5.5322 7.2259 7.2259 7.2833 7.2833 8.2443 8.2443 8.2742 8.2742 9.0794 9.0794 9.1085 9.1085 9.4460 9.4460 9.4839 9.4839 10.1464 10.1464 10.1479 10.1479 10.7838 10.7838 10.7933 10.7933 13.7858 13.7858 13.8512 13.8512 18.1241 18.1241 k = 0.2069 0.3584 0.3595 ( 1786 PWs) bands (ev): -0.3559 -0.3559 -0.3525 -0.3525 5.5744 5.5744 5.5844 5.5844 7.2807 7.2807 7.3374 7.3374 8.2529 8.2529 8.2808 8.2808 9.0733 9.0733 9.1054 9.1054 9.4287 9.4287 9.4659 9.4659 10.2118 10.2118 10.2131 10.2131 10.8187 10.8187 10.8310 10.8310 13.7099 13.7099 13.7751 13.7751 18.0838 18.0838 k = 0.2011 0.3484 0.3595 ( 1786 PWs) bands (ev): -0.4085 -0.4085 -0.4054 -0.4054 5.6299 5.6299 5.6402 5.6402 7.3327 7.3327 7.3885 7.3885 8.2610 8.2610 8.2870 8.2870 9.0677 9.0677 9.1029 9.1029 9.4112 9.4112 9.4481 9.4481 10.2816 10.2816 10.2834 10.2834 10.8539 10.8539 10.8694 10.8694 13.6353 13.6353 13.7003 13.7003 18.0432 18.0432 k = 0.1954 0.3384 0.3595 ( 1786 PWs) bands (ev): -0.4616 -0.4616 -0.4588 -0.4588 5.6888 5.6888 5.6993 5.6993 7.3817 7.3817 7.4365 7.4365 8.2688 8.2688 8.2925 8.2925 9.0626 9.0626 9.1010 9.1010 9.3937 9.3937 9.4306 9.4306 10.3558 10.3558 10.3580 10.3580 10.8893 10.8893 10.9082 10.9082 13.5623 13.5623 13.6273 13.6273 18.0028 18.0028 k = 0.1897 0.3285 0.3595 ( 1786 PWs) bands (ev): -0.5150 -0.5150 -0.5124 -0.5124 5.7507 5.7507 5.7615 5.7615 7.4278 7.4278 7.4814 7.4814 8.2760 8.2760 8.2974 8.2974 9.0581 9.0581 9.0998 9.0998 9.3762 9.3762 9.4136 9.4136 10.4340 10.4340 10.4369 10.4369 10.9247 10.9247 10.9476 10.9476 13.4914 13.4914 13.5565 13.5565 17.9631 17.9631 k = 0.1839 0.3185 0.3595 ( 1786 PWs) bands (ev): -0.5684 -0.5684 -0.5660 -0.5660 5.8153 5.8153 5.8263 5.8263 7.4709 7.4709 7.5232 7.5232 8.2825 8.2825 8.3016 8.3016 9.0541 9.0541 9.0991 9.0991 9.3591 9.3591 9.3972 9.3972 10.5155 10.5155 10.5199 10.5199 10.9600 10.9600 10.9876 10.9876 13.4231 13.4231 13.4884 13.4884 17.9245 17.9245 k = 0.1782 0.3086 0.3595 ( 1782 PWs) bands (ev): -0.6217 -0.6217 -0.6195 -0.6195 5.8824 5.8824 5.8937 5.8937 7.5111 7.5111 7.5620 7.5620 8.2882 8.2882 8.3049 8.3049 9.0507 9.0507 9.0990 9.0990 9.3426 9.3426 9.3816 9.3816 10.5999 10.5999 10.6066 10.6066 10.9953 10.9953 11.0284 11.0284 13.3578 13.3578 13.4233 13.4233 17.8874 17.8874 k = 0.1724 0.2986 0.3595 ( 1778 PWs) bands (ev): -0.6746 -0.6746 -0.6727 -0.6727 5.9517 5.9517 5.9632 5.9632 7.5484 7.5484 7.5977 7.5977 8.2930 8.2930 8.3073 8.3073 9.0481 9.0481 9.0995 9.0995 9.3267 9.3267 9.3667 9.3667 10.6861 10.6861 10.6966 10.6966 11.0302 11.0302 11.0701 11.0701 13.2960 13.2960 13.3618 13.3618 17.8522 17.8522 k = 0.1667 0.2887 0.3595 ( 1778 PWs) bands (ev): -0.7271 -0.7271 -0.7254 -0.7254 6.0229 6.0229 6.0346 6.0346 7.5830 7.5830 7.6306 7.6306 8.2966 8.2966 8.3086 8.3086 9.0462 9.0462 9.1005 9.1005 9.3116 9.3116 9.3527 9.3527 10.7729 10.7729 10.7892 10.7892 11.0649 11.0649 11.1135 11.1135 13.2383 13.2383 13.3045 13.3045 17.8191 17.8191 k = 0.1609 0.2787 0.3595 ( 1774 PWs) bands (ev): -0.7790 -0.7790 -0.7775 -0.7775 6.0958 6.0958 6.1076 6.1076 7.6149 7.6149 7.6607 7.6607 8.2992 8.2992 8.3089 8.3089 9.0450 9.0450 9.1021 9.1021 9.2973 9.2973 9.3396 9.3396 10.8582 10.8582 10.8831 10.8831 11.1000 11.1000 11.1599 11.1599 13.1852 13.1852 13.2518 13.2518 17.7885 17.7885 k = 0.1552 0.2688 0.3595 ( 1774 PWs) bands (ev): -0.8302 -0.8302 -0.8288 -0.8288 6.1700 6.1700 6.1819 6.1819 7.6441 7.6441 7.6881 7.6881 8.3004 8.3004 8.3082 8.3082 9.0446 9.0446 9.1041 9.1041 9.2839 9.2839 9.3274 9.3274 10.9390 10.9390 10.9752 10.9752 11.1377 11.1377 11.2116 11.2116 13.1374 13.1374 13.2044 13.2044 17.7607 17.7607 k = 0.1494 0.2588 0.3595 ( 1774 PWs) bands (ev): -0.8804 -0.8804 -0.8792 -0.8792 6.2453 6.2453 6.2574 6.2574 7.6709 7.6709 7.7129 7.7129 8.3004 8.3004 8.3063 8.3063 9.0451 9.0451 9.1064 9.1064 9.2715 9.2715 9.3160 9.3160 11.0110 11.0110 11.0576 11.0576 11.1855 11.1855 11.2721 11.2721 13.0956 13.0956 13.1628 13.1628 17.7359 17.7359 k = 0.1437 0.2489 0.3595 ( 1774 PWs) bands (ev): -0.9295 -0.9295 -0.9285 -0.9285 6.3215 6.3215 6.3336 6.3336 7.6953 7.6953 7.7354 7.7354 8.2991 8.2991 8.3034 8.3034 9.0463 9.0463 9.1092 9.1092 9.2600 9.2600 9.3055 9.3055 11.0703 11.0703 11.1165 11.1165 11.2559 11.2559 11.3445 11.3445 13.0602 13.0602 13.1276 13.1276 17.7143 17.7143 k = 0.1379 0.2389 0.3595 ( 1774 PWs) bands (ev): -0.9776 -0.9776 -0.9766 -0.9766 6.3983 6.3983 6.4105 6.4105 7.7175 7.7175 7.7557 7.7557 8.2964 8.2964 8.2994 8.2994 9.0484 9.0484 9.1122 9.1122 9.2496 9.2496 9.2959 9.2959 11.1157 11.1157 11.1520 11.1520 11.3483 11.3483 11.4289 11.4289 13.0320 13.0320 13.0994 13.0994 17.6962 17.6962 k = 0.1322 0.2289 0.3595 ( 1772 PWs) bands (ev): -1.0243 -1.0243 -1.0235 -1.0235 6.4755 6.4755 6.4877 6.4877 7.7376 7.7376 7.7738 7.7738 8.2925 8.2925 8.2944 8.2944 9.0513 9.0513 9.1156 9.1156 9.2402 9.2402 9.2870 9.2870 11.1487 11.1487 11.1744 11.1744 11.4516 11.4516 11.5231 11.5231 13.0114 13.0114 13.0785 13.0785 17.6816 17.6816 k = 0.1264 0.2190 0.3595 ( 1772 PWs) bands (ev): -1.0697 -1.0697 -1.0690 -1.0690 6.5528 6.5528 6.5649 6.5649 7.7557 7.7557 7.7900 7.7900 8.2872 8.2872 8.2885 8.2885 9.0549 9.0549 9.1192 9.1192 9.2317 9.2317 9.2789 9.2789 11.1715 11.1715 11.1887 11.1887 11.5600 11.5600 11.6243 11.6243 12.9988 12.9988 13.0654 13.0654 17.6708 17.6708 k = 0.1207 0.2090 0.3595 ( 1768 PWs) bands (ev): -1.1137 -1.1137 -1.1130 -1.1130 6.6301 6.6301 6.6421 6.6421 7.7720 7.7720 7.8043 7.8043 8.2807 8.2807 8.2817 8.2817 9.0592 9.0592 9.1230 9.1230 9.2241 9.2241 9.2714 9.2714 11.1857 11.1857 11.1967 11.1967 11.6713 11.6713 11.7300 11.7300 12.9945 12.9945 13.0600 13.0600 17.6639 17.6639 k = 0.1149 0.1991 0.3595 ( 1770 PWs) bands (ev): -1.1561 -1.1561 -1.1555 -1.1555 6.7069 6.7069 6.7188 6.7188 7.7865 7.7865 7.8170 7.8170 8.2729 8.2729 8.2741 8.2741 9.0642 9.0642 9.1268 9.1268 9.2174 9.2174 9.2646 9.2646 11.1925 11.1925 11.1990 11.1990 11.7845 11.7845 11.8389 11.8389 12.9983 12.9983 13.0625 13.0625 17.6610 17.6610 k = 0.1092 0.1891 0.3595 ( 1770 PWs) bands (ev): -1.1968 -1.1968 -1.1963 -1.1963 6.7832 6.7832 6.7950 6.7950 7.7995 7.7995 7.8281 7.8281 8.2641 8.2641 8.2655 8.2655 9.0698 9.0698 9.1308 9.1308 9.2117 9.2117 9.2583 9.2583 11.1927 11.1927 11.1960 11.1960 11.8988 11.8988 11.9497 11.9497 13.0100 13.0100 13.0724 13.0724 17.6619 17.6619 k = 0.1034 0.1792 0.3595 ( 1766 PWs) bands (ev): -1.2359 -1.2359 -1.2355 -1.2355 6.8588 6.8588 6.8704 6.8704 7.8109 7.8109 7.8378 7.8378 8.2543 8.2543 8.2560 8.2560 9.0759 9.0759 9.1349 9.1349 9.2067 9.2067 9.2525 9.2525 11.1870 11.1870 11.1882 11.1882 12.0138 12.0138 12.0619 12.0619 13.0291 13.0291 13.0893 13.0893 17.6667 17.6667 k = 0.0977 0.1692 0.3595 ( 1766 PWs) bands (ev): -1.2732 -1.2732 -1.2728 -1.2728 6.9333 6.9333 6.9446 6.9446 7.8211 7.8211 7.8462 7.8462 8.2437 8.2437 8.2456 8.2456 9.0824 9.0824 9.1388 9.1388 9.2026 9.2026 9.2472 9.2472 11.1759 11.1759 11.1764 11.1764 12.1292 12.1292 12.1747 12.1747 13.0549 13.0549 13.1125 13.1125 17.6748 17.6748 k = 0.0920 0.1593 0.3595 ( 1766 PWs) bands (ev): -1.3086 -1.3086 -1.3083 -1.3083 7.0067 7.0067 7.0176 7.0176 7.8299 7.8299 7.8533 7.8533 8.2321 8.2321 8.2343 8.2343 9.0893 9.0893 9.1427 9.1427 9.1991 9.1991 9.2422 9.2422 11.1600 11.1600 11.1613 11.1613 12.2446 12.2446 12.2876 12.2876 13.0864 13.0864 13.1412 13.1412 17.6859 17.6859 k = 0.0862 0.1493 0.3595 ( 1762 PWs) bands (ev): -1.3422 -1.3422 -1.3419 -1.3419 7.0787 7.0787 7.0893 7.0893 7.8376 7.8376 7.8594 7.8594 8.2198 8.2198 8.2222 8.2222 9.0964 9.0964 9.1465 9.1465 9.1963 9.1963 9.2376 9.2376 11.1409 11.1409 11.1427 11.1427 12.3596 12.3596 12.4004 12.4004 13.1226 13.1226 13.1744 13.1744 17.6987 17.6987 k = 0.0805 0.1394 0.3595 ( 1766 PWs) bands (ev): -1.3739 -1.3739 -1.3736 -1.3736 7.1491 7.1491 7.1593 7.1593 7.8443 7.8443 7.8644 7.8644 8.2066 8.2066 8.2092 8.2092 9.1036 9.1036 9.1501 9.1501 9.1940 9.1940 9.2332 9.2332 11.1194 11.1194 11.1213 11.1213 12.4737 12.4737 12.5123 12.5123 13.1625 13.1625 13.2111 13.2111 17.7114 17.7114 k = 0.0747 0.1294 0.3595 ( 1764 PWs) bands (ev): -1.4035 -1.4035 -1.4033 -1.4033 7.2177 7.2177 7.2275 7.2275 7.8500 7.8500 7.8686 7.8686 8.1925 8.1925 8.1955 8.1955 9.1110 9.1110 9.1535 9.1535 9.1924 9.1924 9.2291 9.2291 11.0961 11.0961 11.0980 11.0980 12.5865 12.5865 12.6230 12.6230 13.2051 13.2051 13.2503 13.2503 17.7215 17.7215 k = 0.0690 0.1195 0.3595 ( 1764 PWs) bands (ev): -1.4311 -1.4311 -1.4309 -1.4309 7.2845 7.2845 7.2937 7.2937 7.8548 7.8548 7.8719 7.8719 8.1776 8.1776 8.1808 8.1808 9.1183 9.1183 9.1566 9.1566 9.1913 9.1913 9.2252 9.2252 11.0716 11.0716 11.0734 11.0734 12.6974 12.6974 12.7318 12.7318 13.2492 13.2492 13.2910 13.2910 17.7248 17.7248 k = 0.0632 0.1095 0.3595 ( 1768 PWs) bands (ev): -1.4566 -1.4566 -1.4565 -1.4565 7.3491 7.3491 7.3578 7.3578 7.8590 7.8590 7.8746 7.8746 8.1617 8.1617 8.1652 8.1652 9.1255 9.1255 9.1593 9.1593 9.1906 9.1906 9.2215 9.2215 11.0467 11.0467 11.0482 11.0482 12.8058 12.8058 12.8381 12.8381 13.2940 13.2940 13.3324 13.3324 17.7171 17.7171 k = 0.0575 0.0995 0.3595 ( 1760 PWs) bands (ev): -1.4801 -1.4801 -1.4799 -1.4799 7.4116 7.4116 7.4197 7.4197 7.8625 7.8625 7.8767 7.8767 8.1450 8.1450 8.1487 8.1487 9.1326 9.1326 9.1619 9.1619 9.1902 9.1902 9.2179 9.2179 11.0219 11.0219 11.0231 11.0231 12.9107 12.9107 12.9411 12.9411 13.3385 13.3385 13.3738 13.3738 17.6953 17.6953 k = 0.0517 0.0896 0.3595 ( 1760 PWs) bands (ev): -1.5013 -1.5013 -1.5012 -1.5012 7.4717 7.4717 7.4792 7.4792 7.8655 7.8655 7.8782 7.8782 8.1271 8.1271 8.1310 8.1310 9.1394 9.1394 9.1642 9.1642 9.1901 9.1901 9.2145 9.2145 10.9977 10.9977 10.9987 10.9987 13.0110 13.0110 13.0396 13.0396 13.3821 13.3821 13.4143 13.4143 17.6592 17.6592 k = 0.0460 0.0796 0.3595 ( 1756 PWs) bands (ev): -1.5205 -1.5205 -1.5204 -1.5204 7.5293 7.5293 7.5361 7.5361 7.8680 7.8680 7.8793 7.8793 8.1082 8.1082 8.1121 8.1121 9.1460 9.1460 9.1664 9.1664 9.1902 9.1902 9.2112 9.2112 10.9746 10.9746 10.9754 10.9754 13.1056 13.1056 13.1324 13.1324 13.4241 13.4241 13.4536 13.4536 17.6117 17.6117 k = 0.0402 0.0697 0.3595 ( 1752 PWs) bands (ev): -1.5374 -1.5374 -1.5373 -1.5373 7.5844 7.5844 7.5905 7.5905 7.8701 7.8701 7.8800 7.8800 8.0880 8.0880 8.0920 8.0920 9.1522 9.1522 9.1684 9.1684 9.1902 9.1902 9.2080 9.2080 10.9532 10.9532 10.9537 10.9537 13.1928 13.1928 13.2180 13.2180 13.4644 13.4644 13.4914 13.4914 17.5567 17.5567 k = 0.0345 0.0597 0.3595 ( 1756 PWs) bands (ev): -1.5521 -1.5521 -1.5520 -1.5520 7.6367 7.6367 7.6420 7.6420 7.8718 7.8718 7.8804 7.8804 8.0664 8.0664 8.0703 8.0703 9.1578 9.1578 9.1702 9.1702 9.1901 9.1901 9.2049 9.2049 10.9337 10.9337 10.9341 10.9341 13.2709 13.2709 13.2945 13.2945 13.5027 13.5027 13.5274 13.5274 17.4983 17.4983 k = 0.0287 0.0498 0.3595 ( 1760 PWs) bands (ev): -1.5646 -1.5646 -1.5645 -1.5645 7.6862 7.6862 7.6908 7.6908 7.8732 7.8732 7.8805 7.8805 8.0433 8.0433 8.0471 8.0471 9.1629 9.1629 9.1720 9.1720 9.1898 9.1898 9.2020 9.2020 10.9166 10.9166 10.9169 10.9169 13.3382 13.3382 13.3599 13.3599 13.5391 13.5391 13.5615 13.5615 17.4405 17.4405 k = 0.0230 0.0398 0.3595 ( 1764 PWs) bands (ev): -1.5748 -1.5748 -1.5748 -1.5748 7.7329 7.7329 7.7367 7.7367 7.8745 7.8745 7.8804 7.8804 8.0186 8.0186 8.0222 8.0222 9.1674 9.1674 9.1739 9.1739 9.1894 9.1894 9.1992 9.1992 10.9022 10.9022 10.9024 10.9024 13.3932 13.3932 13.4122 13.4122 13.5735 13.5735 13.5929 13.5929 17.3870 17.3870 k = 0.0172 0.0299 0.3595 ( 1764 PWs) bands (ev): -1.5828 -1.5828 -1.5827 -1.5827 7.7765 7.7765 7.7796 7.7796 7.8756 7.8756 7.8803 7.8803 7.9923 7.9923 7.9957 7.9957 9.1712 9.1712 9.1758 9.1758 9.1889 9.1889 9.1967 9.1967 10.8907 10.8907 10.8908 10.8908 13.4354 13.4354 13.4507 13.4507 13.6049 13.6049 13.6204 13.6204 17.3414 17.3414 k = 0.0115 0.0199 0.3595 ( 1764 PWs) bands (ev): -1.5885 -1.5885 -1.5885 -1.5885 7.8168 7.8168 7.8192 7.8192 7.8764 7.8764 7.8801 7.8801 7.9646 7.9646 7.9678 7.9678 9.1742 9.1742 9.1774 9.1774 9.1885 9.1885 9.1943 9.1943 10.8823 10.8823 10.8824 10.8824 13.4653 13.4653 13.4759 13.4759 13.6310 13.6310 13.6417 13.6417 17.3066 17.3066 k = 0.0057 0.0100 0.3595 ( 1768 PWs) bands (ev): -1.5919 -1.5919 -1.5919 -1.5919 7.8522 7.8522 7.8537 7.8537 7.8768 7.8768 7.8803 7.8803 7.9370 7.9370 7.9398 7.9398 9.1764 9.1764 9.1782 9.1782 9.1888 9.1888 9.1920 9.1920 10.8773 10.8773 10.8773 10.8773 13.4838 13.4838 13.4891 13.4891 13.6491 13.6491 13.6545 13.6545 17.2848 17.2848 k = 0.0000 0.0000 0.3595 ( 1760 PWs) bands (ev): -1.5930 -1.5930 -1.5930 -1.5930 7.8711 7.8711 7.8711 7.8711 7.8801 7.8801 7.8801 7.8801 7.9214 7.9214 7.9214 7.9214 9.1780 9.1780 9.1780 9.1780 9.1902 9.1902 9.1902 9.1902 10.8756 10.8756 10.8756 10.8756 13.4916 13.4916 13.4916 13.4916 13.6572 13.6572 13.6572 13.6572 17.2776 17.2776 k = 0.0000 0.0000 0.3595 ( 1760 PWs) bands (ev): -1.5930 -1.5930 -1.5930 -1.5930 7.8711 7.8711 7.8711 7.8711 7.8801 7.8801 7.8801 7.8801 7.9214 7.9214 7.9214 7.9214 9.1780 9.1780 9.1780 9.1780 9.1902 9.1902 9.1902 9.1902 10.8756 10.8756 10.8756 10.8756 13.4916 13.4916 13.4916 13.4916 13.6572 13.6572 13.6572 13.6572 17.2776 17.2776 k = 0.0000 0.0000 0.3482 ( 1772 PWs) bands (ev): -1.6703 -1.6703 -1.5138 -1.5138 7.8166 7.8166 7.8358 7.8358 7.8491 7.8491 7.9228 7.9228 7.9272 7.9272 7.9849 7.9849 9.1512 9.1512 9.1629 9.1629 9.2050 9.2050 9.2172 9.2172 10.8292 10.8292 10.9329 10.9329 13.4379 13.4379 13.5432 13.5432 13.6071 13.6071 13.7050 13.7050 17.1723 17.1723 k = 0.0000 0.0000 0.3370 ( 1772 PWs) bands (ev): -1.7454 -1.7454 -1.4326 -1.4326 7.7421 7.7421 7.7903 7.7903 7.7933 7.7933 7.9710 7.9710 7.9743 7.9743 8.0410 8.0410 9.1247 9.1247 9.1364 9.1364 9.2323 9.2323 9.2451 9.2451 10.7936 10.7936 11.0012 11.0012 13.3821 13.3821 13.5548 13.5548 13.5925 13.5925 13.7505 13.7505 17.0658 17.0658 k = 0.0000 0.0000 0.3258 ( 1772 PWs) bands (ev): -1.8184 -1.8184 -1.3496 -1.3496 7.6497 7.6497 7.7423 7.7423 7.7500 7.7500 8.0179 8.0179 8.0241 8.0241 8.0880 8.0880 9.0987 9.0987 9.1103 9.1103 9.2599 9.2599 9.2733 9.2733 10.7681 10.7681 11.0801 11.0801 13.3243 13.3243 13.5003 13.5003 13.6395 13.6395 13.7936 13.7936 16.9589 16.9589 k = 0.0000 0.0000 0.3145 ( 1766 PWs) bands (ev): -1.8893 -1.8893 -1.2647 -1.2647 7.5467 7.5467 7.6971 7.6971 7.7082 7.7082 8.0650 8.0650 8.0748 8.0748 8.1261 8.1261 9.0732 9.0732 9.0849 9.0849 9.2876 9.2876 9.3019 9.3019 10.7523 10.7523 11.1692 11.1692 13.2647 13.2647 13.4439 13.4439 13.6843 13.6843 13.8344 13.8344 16.8522 16.8522 k = 0.0000 0.0000 0.3033 ( 1766 PWs) bands (ev): -1.9580 -1.9580 -1.1781 -1.1781 7.4354 7.4354 7.6536 7.6536 7.6675 7.6675 8.1123 8.1123 8.1255 8.1255 8.1563 8.1563 9.0480 9.0480 9.0600 9.0600 9.3154 9.3154 9.3308 9.3308 10.7450 10.7450 11.2676 11.2676 13.2034 13.2034 13.3855 13.3855 13.7266 13.7266 13.8728 13.8728 16.7460 16.7460 k = 0.0000 0.0000 0.2921 ( 1778 PWs) bands (ev): -2.0244 -2.0244 -1.0899 -1.0899 7.3170 7.3170 7.6115 7.6115 7.6278 7.6278 8.1597 8.1597 8.1694 8.1694 8.1861 8.1861 9.0233 9.0233 9.0355 9.0355 9.3432 9.3432 9.3600 9.3600 10.7455 10.7455 11.3745 11.3745 13.1407 13.1407 13.3254 13.3254 13.7667 13.7667 13.9088 13.9088 16.6410 16.6410 k = 0.0000 0.0000 0.2808 ( 1778 PWs) bands (ev): -2.0886 -2.0886 -1.0001 -1.0001 7.1930 7.1930 7.5708 7.5708 7.5893 7.5893 8.1882 8.1882 8.2074 8.2074 8.2341 8.2341 8.9992 8.9992 9.0119 9.0119 9.3711 9.3711 9.3895 9.3895 10.7530 10.7530 11.4888 11.4888 13.0767 13.0767 13.2637 13.2637 13.8044 13.8044 13.9426 13.9426 16.5373 16.5373 k = 0.0000 0.0000 0.2696 ( 1778 PWs) bands (ev): -2.1505 -2.1505 -0.9089 -0.9089 7.0641 7.0641 7.5316 7.5316 7.5519 7.5519 8.1973 8.1973 8.2550 8.2550 8.2864 8.2864 8.9759 8.9759 8.9890 8.9890 9.3989 9.3989 9.4193 9.4193 10.7666 10.7666 11.6095 11.6095 13.0118 13.0118 13.2005 13.2005 13.8398 13.8398 13.9741 13.9741 16.4355 16.4355 k = 0.0000 0.0000 0.2584 ( 1772 PWs) bands (ev): -2.2100 -2.2100 -0.8164 -0.8164 6.9313 6.9313 7.4938 7.4938 7.5159 7.5159 8.2006 8.2006 8.3023 8.3023 8.3395 8.3395 8.9532 8.9532 8.9670 8.9670 9.4269 9.4269 9.4495 9.4495 10.7854 10.7854 11.7352 11.7352 12.9463 12.9463 13.1362 13.1362 13.8730 13.8730 14.0035 14.0035 16.3357 16.3357 k = 0.0000 0.0000 0.2471 ( 1772 PWs) bands (ev): -2.2672 -2.2672 -0.7227 -0.7227 6.7955 6.7955 7.4574 7.4574 7.4811 7.4811 8.1993 8.1993 8.3493 8.3493 8.3927 8.3927 8.9311 8.9311 8.9457 8.9457 9.4547 9.4547 9.4798 9.4798 10.8087 10.8087 11.8646 11.8646 12.8809 12.8809 13.0708 13.0708 13.9041 13.9041 14.0307 14.0307 16.2382 16.2382 k = 0.0000 0.0000 0.2359 ( 1772 PWs) bands (ev): -2.3219 -2.3219 -0.6280 -0.6280 6.6575 6.6575 7.4224 7.4224 7.4476 7.4476 8.1943 8.1943 8.3956 8.3956 8.4460 8.4460 8.9098 8.9098 8.9255 8.9255 9.4825 9.4825 9.5104 9.5104 10.8356 10.8356 11.9961 11.9961 12.8164 12.8164 13.0046 13.0046 13.9330 13.9330 14.0560 14.0560 16.1433 16.1433 k = 0.0000 0.0000 0.2247 ( 1766 PWs) bands (ev): -2.3743 -2.3743 -0.5325 -0.5325 6.5179 6.5179 7.3888 7.3888 7.4155 7.4155 8.1869 8.1869 8.4411 8.4411 8.4990 8.4990 8.8892 8.8892 8.9063 8.9063 9.5102 9.5102 9.5412 9.5412 10.8655 10.8655 12.1272 12.1272 12.7549 12.7549 12.9378 12.9378 13.9599 13.9599 14.0792 14.0792 16.0510 16.0510 k = 0.0000 0.0000 0.2134 ( 1766 PWs) bands (ev): -2.4242 -2.4242 -0.4364 -0.4364 6.3776 6.3776 7.3568 7.3568 7.3847 7.3847 8.1765 8.1765 8.4853 8.4853 8.5516 8.5516 8.8693 8.8693 8.8884 8.8884 9.5378 9.5378 9.5721 9.5721 10.8979 10.8979 12.2522 12.2522 12.7010 12.7010 12.8707 12.8707 13.9848 13.9848 14.1007 14.1007 15.9617 15.9617 k = 0.0000 0.0000 0.2022 ( 1766 PWs) bands (ev): -2.4717 -2.4717 -0.3398 -0.3398 6.2373 6.2373 7.3262 7.3262 7.3553 7.3553 8.1643 8.1643 8.5280 8.5280 8.6037 8.6037 8.8504 8.8504 8.8720 8.8720 9.5654 9.5654 9.6033 9.6033 10.9320 10.9320 12.3560 12.3560 12.6697 12.6697 12.8035 12.8035 14.0079 14.0079 14.1204 14.1204 15.8755 15.8755 k = 0.0000 0.0000 0.1910 ( 1772 PWs) bands (ev): -2.5167 -2.5167 -0.2431 -0.2431 6.0974 6.0974 7.2972 7.2972 7.3274 7.3274 8.1508 8.1508 8.5686 8.5686 8.6549 8.6549 8.8321 8.8321 8.8574 8.8574 9.5929 9.5929 9.6346 9.6346 10.9672 10.9672 12.4024 12.4024 12.6964 12.6964 12.7365 12.7365 14.0291 14.0291 14.1385 14.1385 15.7926 15.7926 k = 0.0000 0.0000 0.1797 ( 1772 PWs) bands (ev): -2.5592 -2.5592 -0.1466 -0.1466 5.9589 5.9589 7.2697 7.2697 7.3009 7.3009 8.1364 8.1364 8.6064 8.6064 8.7051 8.7051 8.8149 8.8149 8.8453 8.8453 9.6204 9.6204 9.6660 9.6660 11.0034 11.0034 12.3828 12.3828 12.6699 12.6699 12.7894 12.7894 14.0486 14.0486 14.1550 14.1550 15.7130 15.7130 k = 0.0000 0.0000 0.1685 ( 1772 PWs) bands (ev): -2.5992 -2.5992 -0.0506 -0.0506 5.8222 5.8222 7.2439 7.2439 7.2759 7.2759 8.1214 8.1214 8.6400 8.6400 8.7540 8.7540 8.7985 8.7985 8.8366 8.8366 9.6477 9.6477 9.6975 9.6975 11.0399 11.0399 12.3341 12.3341 12.6042 12.6042 12.9114 12.9114 14.0666 14.0666 14.1700 14.1700 15.6371 15.6371 k = 0.0000 0.0000 0.1573 ( 1772 PWs) bands (ev): -2.6367 -2.6367 0.0446 0.0446 5.6881 5.6881 7.2196 7.2196 7.2525 7.2525 8.1062 8.1062 8.6679 8.6679 8.7828 8.7828 8.8016 8.8016 8.8331 8.8331 9.6750 9.6750 9.7289 9.7289 11.0764 11.0764 12.2761 12.2761 12.5396 12.5396 13.0419 13.0419 14.0830 14.0830 14.1837 14.1837 15.5649 15.5649 k = 0.0000 0.0000 0.1460 ( 1772 PWs) bands (ev): -2.6717 -2.6717 0.1384 0.1384 5.5571 5.5571 7.1969 7.1969 7.2305 7.2305 8.0911 8.0911 8.6877 8.6877 8.7685 8.7685 8.8363 8.8363 8.8472 8.8472 9.7021 9.7021 9.7602 9.7602 11.1122 11.1122 12.2154 12.2154 12.4765 12.4765 13.1742 13.1742 14.0979 14.0979 14.1961 14.1961 15.4967 15.4967 k = 0.0000 0.0000 0.1348 ( 1771 PWs) bands (ev): -2.7041 -2.7041 0.2303 0.2303 5.4301 5.4301 7.1758 7.1758 7.2102 7.2102 8.0764 8.0764 8.6986 8.6986 8.7550 8.7550 8.8478 8.8478 8.8905 8.8905 9.7290 9.7290 9.7911 9.7911 11.1472 11.1472 12.1544 12.1544 12.4152 12.4152 13.3051 13.3051 14.1115 14.1115 14.2073 14.2073 15.4325 15.4325 k = 0.0000 0.0000 0.1236 ( 1771 PWs) bands (ev): -2.7339 -2.7339 0.3198 0.3198 5.3078 5.3078 7.1564 7.1564 7.1914 7.1914 8.0621 8.0621 8.7019 8.7019 8.7424 8.7424 8.8655 8.8655 8.9315 8.9315 9.7556 9.7556 9.8216 9.8216 11.1809 11.1809 12.0946 12.0946 12.3562 12.3562 13.4330 13.4330 14.1238 14.1238 14.2174 14.2174 15.3725 15.3725 k = 0.0000 0.0000 0.1123 ( 1771 PWs) bands (ev): -2.7612 -2.7612 0.4062 0.4062 5.1910 5.1910 7.1386 7.1386 7.1742 7.1742 8.0487 8.0487 8.7003 8.7003 8.7309 8.7309 8.8866 8.8866 8.9697 8.9697 9.7817 9.7817 9.8513 9.8513 11.2128 11.2128 12.0367 12.0367 12.2998 12.2998 13.5563 13.5563 14.1350 14.1350 14.2265 14.2265 15.3170 15.3170 k = 0.0000 0.0000 0.1011 ( 1759 PWs) bands (ev): -2.7859 -2.7859 0.4887 0.4887 5.0807 5.0807 7.1226 7.1226 7.1587 7.1587 8.0359 8.0359 8.6964 8.6964 8.7206 8.7206 8.9087 8.9087 9.0052 9.0052 9.8072 9.8072 9.8801 9.8801 11.2432 11.2432 11.9815 11.9815 12.2466 12.2466 13.6737 13.6737 14.1451 14.1451 14.2347 14.2347 15.2661 15.2661 k = 0.0000 0.0000 0.0899 ( 1747 PWs) bands (ev): -2.8081 -2.8081 0.5666 0.5666 4.9777 4.9777 7.1083 7.1083 7.1448 7.1448 8.0242 8.0242 8.6916 8.6916 8.7115 8.7115 8.9304 8.9304 9.0375 9.0375 9.8317 9.8317 9.9074 9.9074 11.2709 11.2709 11.9298 11.9298 12.1971 12.1971 13.7838 13.7838 14.1544 14.1544 14.2421 14.2421 15.2200 15.2200 k = 0.0000 0.0000 0.0786 ( 1747 PWs) bands (ev): -2.8276 -2.8276 0.6388 0.6388 4.8830 4.8830 7.0955 7.0955 7.1324 7.1324 8.0137 8.0137 8.6863 8.6863 8.7031 8.7031 8.9504 8.9504 9.0664 9.0664 9.8549 9.8549 9.9330 9.9330 11.2959 11.2959 11.8821 11.8821 12.1516 12.1516 13.8848 13.8848 14.1630 14.1630 14.2490 14.2490 15.1787 15.1787 k = 0.0000 0.0000 0.0674 ( 1723 PWs) bands (ev): -2.8445 -2.8445 0.7044 0.7044 4.7978 4.7978 7.0846 7.0846 7.1218 7.1218 8.0043 8.0043 8.6814 8.6814 8.6961 8.6961 8.9690 8.9690 9.0924 9.0924 9.8765 9.8765 9.9565 9.9565 11.3182 11.3182 11.8390 11.8390 12.1109 12.1109 13.9747 13.9747 14.1716 14.1716 14.2555 14.2555 15.1426 15.1426 k = 0.0000 0.0000 0.0562 ( 1717 PWs) bands (ev): -2.8589 -2.8589 0.7624 0.7624 4.7231 4.7231 7.0752 7.0752 7.1127 7.1127 7.9964 7.9964 8.6768 8.6768 8.6899 8.6899 8.9846 8.9846 9.1140 9.1140 9.8961 9.8961 9.9776 9.9776 11.3371 11.3371 11.8013 11.8013 12.0753 12.0753 14.0505 14.0505 14.1811 14.1811 14.2623 14.2623 15.1118 15.1118 k = 0.0000 0.0000 0.0449 ( 1717 PWs) bands (ev): -2.8707 -2.8707 0.8116 0.8116 4.6601 4.6601 7.0675 7.0675 7.1052 7.1052 7.9897 7.9897 8.6729 8.6729 8.6849 8.6849 8.9975 8.9975 9.1319 9.1319 9.9129 9.9129 9.9954 9.9954 11.3527 11.3527 11.7696 11.7696 12.0453 12.0453 14.1073 14.1073 14.1941 14.1941 14.2704 14.2704 15.0863 15.0863 k = 0.0000 0.0000 0.0337 ( 1717 PWs) bands (ev): -2.8798 -2.8798 0.8512 0.8512 4.6098 4.6098 7.0615 7.0615 7.0994 7.0994 7.9844 7.9844 8.6698 8.6698 8.6809 8.6809 9.0077 9.0077 9.1458 9.1458 9.9266 9.9266 10.0098 10.0098 11.3649 11.3649 11.7443 11.7443 12.0215 12.0215 14.1406 14.1406 14.2118 14.2118 14.2817 14.2817 15.0664 15.0664 k = 0.0000 0.0000 0.0225 ( 1729 PWs) bands (ev): -2.8863 -2.8863 0.8802 0.8802 4.5731 4.5731 7.0570 7.0570 7.0951 7.0951 7.9806 7.9806 8.6674 8.6674 8.6780 8.6780 9.0151 9.0151 9.1558 9.1558 9.9365 9.9365 10.0202 10.0202 11.3736 11.3736 11.7259 11.7259 12.0042 12.0042 14.1555 14.1555 14.2276 14.2276 14.2964 14.2964 15.0521 15.0521 k = 0.0000 0.0000 0.0112 ( 1729 PWs) bands (ev): -2.8903 -2.8903 0.8978 0.8978 4.5508 4.5508 7.0545 7.0545 7.0926 7.0926 7.9783 7.9783 8.6660 8.6660 8.6763 8.6763 9.0195 9.0195 9.1618 9.1618 9.9428 9.9428 10.0267 10.0267 11.3788 11.3788 11.7147 11.7147 11.9937 11.9937 14.1617 14.1617 14.2361 14.2361 14.3094 14.3094 15.0435 15.0435 k = 0.0000 0.0000 0.0000 ( 1729 PWs) bands (ev): -2.8916 -2.8916 0.9038 0.9038 4.5433 4.5433 7.0536 7.0536 7.0917 7.0917 7.9776 7.9776 8.6656 8.6656 8.6758 8.6758 9.0210 9.0210 9.1638 9.1638 9.9449 9.9449 10.0289 10.0289 11.3805 11.3805 11.7110 11.7110 11.9902 11.9902 14.1634 14.1634 14.2386 14.2386 14.3145 14.3145 15.0406 15.0406 k = 0.0000 0.0000 0.0000 ( 1729 PWs) bands (ev): -2.8916 -2.8916 0.9038 0.9038 4.5433 4.5433 7.0536 7.0536 7.0917 7.0917 7.9776 7.9776 8.6656 8.6656 8.6758 8.6758 9.0210 9.0210 9.1638 9.1638 9.9449 9.9449 10.0289 10.0289 11.3805 11.3805 11.7110 11.7110 11.9902 11.9902 14.1634 14.1634 14.2386 14.2386 14.3145 14.3145 15.0406 15.0406 k =-0.0098 0.0057 0.0000 ( 1737 PWs) bands (ev): -2.8903 -2.8903 0.9039 0.9040 4.5447 4.5448 7.0535 7.0537 7.0917 7.0917 7.9771 7.9771 8.6645 8.6646 8.6746 8.6748 9.0202 9.0205 9.1629 9.1635 9.9448 9.9448 10.0284 10.0290 11.3797 11.3802 11.7049 11.7056 11.9832 11.9834 14.1516 14.1556 14.2303 14.2443 14.2992 14.3173 15.0649 15.0654 k =-0.0196 0.0113 0.0000 ( 1731 PWs) bands (ev): -2.8864 -2.8864 0.9044 0.9045 4.5490 4.5492 7.0534 7.0537 7.0917 7.0917 7.9758 7.9758 8.6612 8.6618 8.6719 8.6720 9.0187 9.0195 9.1616 9.1628 9.9446 9.9447 10.0279 10.0290 11.3779 11.3790 11.6870 11.6886 11.9631 11.9636 14.1141 14.1252 14.2258 14.2421 14.2855 14.3130 15.1320 15.1330 k =-0.0294 0.0170 0.0000 ( 1725 PWs) bands (ev): -2.8800 -2.8800 0.9052 0.9053 4.5563 4.5566 7.0531 7.0536 7.0918 7.0918 7.9736 7.9737 8.6550 8.6568 8.6672 8.6681 9.0163 9.0175 9.1598 9.1615 9.9442 9.9443 10.0271 10.0288 11.3749 11.3767 11.6567 11.6594 11.9321 11.9325 14.0527 14.0683 14.2264 14.2354 14.2860 14.3105 15.2288 15.2304 k =-0.0392 0.0226 0.0000 ( 1731 PWs) bands (ev): -2.8710 -2.8709 0.9063 0.9064 4.5665 4.5668 7.0524 7.0530 7.0919 7.0919 7.9704 7.9704 8.6455 8.6489 8.6613 8.6634 9.0125 9.0145 9.1577 9.1596 9.9435 9.9437 10.0259 10.0282 11.3703 11.3731 11.6130 11.6173 11.8927 11.8929 13.9766 13.9931 14.2301 14.2321 14.2938 14.3122 15.3443 15.3464 k =-0.0490 0.0283 0.0000 ( 1735 PWs) bands (ev): -2.8594 -2.8593 0.9077 0.9078 4.5796 4.5800 7.0511 7.0519 7.0923 7.0924 7.9661 7.9661 8.6331 8.6378 8.6545 8.6578 9.0072 9.0101 9.1557 9.1576 9.9426 9.9429 10.0245 10.0274 11.3632 11.3675 11.5560 11.5624 11.8479 11.8482 13.8931 13.9092 14.2322 14.2351 14.3050 14.3179 15.4706 15.4731 k =-0.0588 0.0340 0.0000 ( 1735 PWs) bands (ev): -2.8452 -2.8452 0.9093 0.9094 4.5956 4.5961 7.0491 7.0502 7.0933 7.0934 7.9605 7.9606 8.6178 8.6237 8.6471 8.6513 9.0001 9.0042 9.1544 9.1559 9.9415 9.9419 10.0230 10.0264 11.3510 11.3577 11.4881 11.4976 11.7998 11.8006 13.8065 13.8220 14.2340 14.2405 14.3186 14.3271 15.6024 15.6053 k =-0.0686 0.0396 0.0000 ( 1735 PWs) bands (ev): -2.8285 -2.8285 0.9112 0.9113 4.6145 4.6151 7.0462 7.0474 7.0950 7.0951 7.9536 7.9537 8.5997 8.6065 8.6389 8.6438 8.9909 8.9965 9.1538 9.1548 9.9402 9.9407 10.0212 10.0252 11.3237 11.3332 11.4213 11.4342 11.7499 11.7512 13.7189 13.7338 14.2367 14.2457 14.3340 14.3392 15.7359 15.7391 k =-0.0784 0.0453 0.0000 ( 1737 PWs) bands (ev): -2.8093 -2.8092 0.9133 0.9134 4.6363 4.6370 7.0422 7.0436 7.0974 7.0976 7.9450 7.9452 8.5790 8.5866 8.6299 8.6353 8.9794 8.9866 9.1543 9.1545 9.9385 9.9392 10.0192 10.0238 11.2621 11.2684 11.3837 11.3937 11.6986 11.7003 13.6312 13.6454 14.2397 14.2503 14.3511 14.3538 15.8680 15.8714 k =-0.0882 0.0509 0.0000 ( 1737 PWs) bands (ev): -2.7875 -2.7875 0.9155 0.9157 4.6610 4.6618 7.0369 7.0385 7.1006 7.1008 7.9347 7.9349 8.5554 8.5636 8.6200 8.6259 8.9657 8.9744 9.1553 9.1559 9.9368 9.9378 10.0172 10.0225 11.1711 11.1733 11.3680 11.3739 11.6457 11.6478 13.5437 13.5574 14.2423 14.2539 14.3695 14.3705 15.9957 15.9993 k =-0.0980 0.0566 0.0000 ( 1741 PWs) bands (ev): -2.7632 -2.7632 0.9179 0.9181 4.6885 4.6894 7.0304 7.0322 7.1045 7.1047 7.9221 7.9222 8.5294 8.5380 8.6093 8.6156 8.9497 8.9599 9.1572 9.1587 9.9348 9.9360 10.0150 10.0209 11.0673 11.0675 11.3573 11.3609 11.5912 11.5934 13.4566 13.4698 14.2442 14.2561 14.3889 14.3890 16.1164 16.1201 k =-0.1078 0.0623 0.0000 ( 1745 PWs) bands (ev): -2.7364 -2.7364 0.9204 0.9206 4.7189 4.7198 7.0225 7.0245 7.1091 7.1093 7.9067 7.9068 8.5015 8.5104 8.5979 8.6046 8.9316 8.9431 9.1605 9.1627 9.9324 9.9340 10.0126 10.0192 10.9575 10.9583 11.3474 11.3496 11.5351 11.5373 13.3697 13.3825 14.2448 14.2567 14.4087 14.4095 16.2274 16.2310 k =-0.1176 0.0679 0.0000 ( 1748 PWs) bands (ev): -2.7071 -2.7071 0.9229 0.9231 4.7521 4.7531 7.0131 7.0152 7.1142 7.1144 7.8881 7.8883 8.4718 8.4808 8.5859 8.5929 8.9115 8.9241 9.1649 9.1679 9.9298 9.9318 10.0102 10.0175 10.8465 10.8476 11.3372 11.3379 11.4775 11.4793 13.2831 13.2953 14.2437 14.2553 14.4296 14.4308 16.3257 16.3294 k =-0.1275 0.0736 0.0000 ( 1752 PWs) bands (ev): -2.6754 -2.6753 0.9254 0.9256 4.7881 4.7892 7.0021 7.0043 7.1198 7.1200 7.8658 7.8659 8.4410 8.4500 8.5734 8.5806 8.8897 8.9031 9.1705 9.1742 9.9268 9.9294 10.0077 10.0157 10.7367 10.7378 11.3245 11.3259 11.4194 11.4201 13.1965 13.2084 14.2403 14.2514 14.4514 14.4527 16.4091 16.4125 k =-0.1373 0.0792 0.0000 ( 1752 PWs) bands (ev): -2.6412 -2.6411 0.9278 0.9281 4.8269 4.8281 6.9890 6.9914 7.1260 7.1262 7.8392 7.8393 8.4097 8.4185 8.5605 8.5679 8.8663 8.8802 9.1771 9.1814 9.9235 9.9269 10.0052 10.0140 10.6300 10.6305 11.3057 11.3115 11.3614 11.3645 13.1100 13.1214 14.2342 14.2446 14.4738 14.4751 16.4752 16.4784 k =-0.1471 0.0849 0.0000 ( 1754 PWs) bands (ev): -2.6045 -2.6045 0.9301 0.9303 4.8685 4.8697 6.9736 6.9761 7.1326 7.1328 7.8077 7.8079 8.3787 8.3872 8.5472 8.5548 8.8415 8.8557 9.1847 9.1895 9.9198 9.9241 10.0025 10.0122 10.5272 10.5277 11.2689 11.2807 11.3167 11.3251 13.0235 13.0345 14.2247 14.2344 14.4967 14.4978 16.5232 16.5260 k =-0.1569 0.0906 0.0000 ( 1750 PWs) bands (ev): -2.5655 -2.5654 0.9321 0.9323 4.9128 4.9141 6.9554 6.9579 7.1397 7.1399 7.7712 7.7714 8.3487 8.3568 8.5338 8.5415 8.8155 8.8298 9.1934 9.1986 9.9154 9.9210 9.9998 10.0105 10.4289 10.4310 11.2123 11.2228 11.2967 11.3032 12.9370 12.9476 14.2115 14.2205 14.5199 14.5209 16.5531 16.5555 k =-0.1667 0.0962 0.0000 ( 1752 PWs) bands (ev): -2.5241 -2.5240 0.9338 0.9341 4.9598 4.9612 6.9336 6.9362 7.1470 7.1472 7.7298 7.7299 8.3205 8.3281 8.5203 8.5281 8.7884 8.8025 9.2026 9.2082 9.9102 9.9174 9.9970 10.0087 10.3365 10.3409 11.1488 11.1585 11.2809 11.2859 12.8505 12.8608 14.1940 14.2023 14.5433 14.5441 16.5664 16.5683 k =-0.1765 0.1019 0.0000 ( 1756 PWs) bands (ev): -2.4803 -2.4803 0.9351 0.9354 5.0094 5.0109 6.9075 6.9101 7.1547 7.1548 7.6839 7.6841 8.2945 8.3016 8.5068 8.5147 8.7602 8.7739 9.2124 9.2184 9.9039 9.9135 9.9939 10.0069 10.2506 10.2582 11.0828 11.0923 11.2646 11.2689 12.7642 12.7741 14.1719 14.1795 14.5668 14.5674 16.5654 16.5668 k =-0.1863 0.1075 0.0000 ( 1758 PWs) bands (ev): -2.4343 -2.4342 0.9359 0.9362 5.0617 5.0633 6.8759 6.8786 7.1625 7.1626 7.6348 7.6352 8.2710 8.2776 8.4935 8.5014 8.7313 8.7445 9.2229 9.2292 9.8961 9.9088 9.9905 10.0052 10.1718 10.1839 11.0154 11.0250 11.2474 11.2512 12.6780 12.6875 14.1449 14.1518 14.5904 14.5907 16.5528 16.5537 k =-0.1961 0.1132 0.0000 ( 1760 PWs) bands (ev): -2.3859 -2.3859 0.9362 0.9365 5.1165 5.1182 6.8378 6.8404 7.1705 7.1705 7.5842 7.5848 8.2501 8.2562 8.4805 8.4884 8.7019 8.7145 9.2340 9.2405 9.8857 9.9030 9.9863 10.0033 10.1006 10.1193 10.9472 10.9572 11.2287 11.2323 12.5921 12.6012 14.1127 14.1190 14.6138 14.6139 16.5314 16.5317 k =-0.2059 0.1189 0.0000 ( 1760 PWs) bands (ev): -2.3354 -2.3353 0.9357 0.9360 5.1739 5.1756 6.7919 6.7944 7.1786 7.1786 7.5342 7.5350 8.2315 8.2372 8.4678 8.4758 8.6720 8.6838 9.2455 9.2522 9.8712 9.8946 9.9806 10.0004 10.0390 10.0667 10.8785 10.8889 11.2085 11.2119 12.5066 12.5154 14.0753 14.0811 14.6369 14.6370 16.5034 16.5034 k =-0.2157 0.1245 0.0000 ( 1762 PWs) bands (ev): -2.2826 -2.2825 0.9345 0.9348 5.2338 5.2356 6.7371 6.7394 7.1867 7.1867 7.4868 7.4879 8.2151 8.2204 8.4557 8.4636 8.6415 8.6525 9.2574 9.2643 9.8508 9.8810 9.9716 9.9815 10.0049 10.0291 10.8095 10.8205 11.1866 11.1898 12.4217 12.4301 14.0326 14.0379 14.6597 14.6600 16.4705 16.4710 k =-0.2255 0.1302 0.0000 ( 1762 PWs) bands (ev): -2.2277 -2.2276 0.9323 0.9326 5.2961 5.2979 6.6730 6.6750 7.1948 7.1948 7.4436 7.4451 8.2004 8.2054 8.4444 8.4522 8.6108 8.6210 9.2696 9.2768 9.8237 9.8571 9.9481 9.9586 10.0011 10.0078 10.7404 10.7522 11.1627 11.1659 12.3375 12.3456 13.9848 13.9897 14.6822 14.6827 16.4349 16.4357 k =-0.2353 0.1358 0.0000 ( 1766 PWs) bands (ev): -2.1707 -2.1706 0.9291 0.9294 5.3608 5.3626 6.5994 6.6012 7.2027 7.2029 7.4059 7.4077 8.1871 8.1919 8.4338 8.4416 8.5799 8.5893 9.2821 9.2895 9.7916 9.8225 9.9284 9.9451 9.9972 9.9993 10.6713 10.6840 11.1366 11.1398 12.2542 12.2619 13.9322 13.9367 14.7043 14.7049 16.3977 16.3988 k =-0.2451 0.1415 0.0000 ( 1770 PWs) bands (ev): -2.1117 -2.1116 0.9248 0.9250 5.4277 5.4295 6.5172 6.5186 7.2105 7.2108 7.3741 7.3762 8.1751 8.1797 8.4241 8.4319 8.5489 8.5576 9.2946 9.3022 9.7573 9.7836 9.9174 9.9339 9.9910 9.9979 10.6025 10.6163 11.1083 11.1116 12.1720 12.1793 13.8752 13.8794 14.7260 14.7267 16.3600 16.3613 k =-0.2549 0.1472 0.0000 ( 1764 PWs) bands (ev): -2.0506 -2.0505 0.9191 0.9193 5.4969 5.4986 6.4274 6.4284 7.2180 7.2185 7.3483 7.3507 8.1640 8.1685 8.4155 8.4232 8.5180 8.5260 9.3075 9.3152 9.7232 9.7452 9.9102 9.9251 9.9865 9.9966 10.5341 10.5493 11.0778 11.0811 12.0912 12.0981 13.8143 13.8182 14.7471 14.7479 16.3224 16.3239 k =-0.2647 0.1528 0.0000 ( 1758 PWs) bands (ev): -1.9877 -1.9876 0.9120 0.9122 5.5681 5.5697 6.3318 6.3323 7.2251 7.2258 7.3279 7.3305 8.1536 8.1579 8.4081 8.4156 8.4871 8.4944 9.3204 9.3284 9.6903 9.7087 9.9049 9.9181 9.9826 9.9955 10.4662 10.4830 11.0446 11.0480 12.0119 12.0183 13.7501 13.7538 14.7677 14.7686 16.2856 16.2872 k =-0.2745 0.1585 0.0000 ( 1758 PWs) bands (ev): -1.9229 -1.9228 0.9032 0.9035 5.6413 5.6425 6.2317 6.2319 7.2316 7.2327 7.3123 7.3151 8.1435 8.1478 8.4019 8.4092 8.4562 8.4629 9.3333 9.3416 9.6592 9.6746 9.9003 9.9120 9.9787 9.9945 10.3990 10.4179 11.0086 11.0121 11.9342 11.9403 13.6834 13.6869 14.7877 14.7887 16.2499 16.2517 k =-0.2843 0.1641 0.0000 ( 1760 PWs) bands (ev): -1.8564 -1.8563 0.8928 0.8930 5.7162 5.7166 6.1282 6.1296 7.2375 7.2391 7.3012 7.3039 8.1338 8.1380 8.3971 8.4040 8.4254 8.4320 9.3461 9.3547 9.6300 9.6428 9.8962 9.9066 9.9745 9.9935 10.3325 10.3542 10.9698 10.9734 11.8585 11.8641 13.6149 13.6181 14.8070 14.8080 16.2158 16.2177 k =-0.2941 0.1698 0.0000 ( 1768 PWs) bands (ev): -1.7882 -1.7881 0.8804 0.8806 5.7899 5.7918 6.0240 6.0281 7.2425 7.2449 7.2940 7.2965 8.1240 8.1282 8.3934 8.3952 8.3967 8.4048 9.3587 9.3677 9.6027 9.6132 9.8924 9.9017 9.9695 9.9925 10.2670 10.2923 10.9278 10.9316 11.7850 11.7902 13.5453 13.5484 14.8256 14.8267 16.1834 16.1854 k =-0.3039 0.1755 0.0000 ( 1768 PWs) bands (ev): -1.7184 -1.7183 0.8661 0.8662 5.8456 5.8589 5.9296 5.9454 7.2468 7.2500 7.2903 7.2923 8.1142 8.1185 8.3646 8.3691 8.3919 8.3997 9.3711 9.3805 9.5772 9.5858 9.8888 9.8974 9.9633 9.9917 10.2026 10.2330 10.8829 10.8868 11.7139 11.7186 13.4756 13.4786 14.8436 14.8446 16.1530 16.1550 k =-0.3137 0.1811 0.0000 ( 1772 PWs) bands (ev): -1.6471 -1.6470 0.8494 0.8496 5.7929 5.8021 5.9610 5.9730 7.2504 7.2547 7.2893 7.2908 8.1041 8.1086 8.3345 8.3391 8.3916 8.3991 9.3831 9.3932 9.5533 9.5601 9.8853 9.8932 9.9548 9.9910 10.1394 10.1774 10.8350 10.8389 11.6453 11.6495 13.4065 13.4092 14.8607 14.8618 16.1246 16.1265 k =-0.3235 0.1868 0.0000 ( 1776 PWs) bands (ev): -1.5745 -1.5743 0.8305 0.8307 5.6952 5.7005 6.0401 6.0486 7.2538 7.2591 7.2904 7.2915 8.0936 8.0985 8.3048 8.3093 8.3930 8.4002 9.3948 9.4056 9.5309 9.5359 9.8817 9.8893 9.9422 9.9904 10.0776 10.1273 10.7840 10.7880 11.5795 11.5833 13.3386 13.3412 14.8771 14.8782 16.0982 16.1002 k =-0.3333 0.1924 0.0000 ( 1780 PWs) bands (ev): -1.5006 -1.5005 0.8092 0.8093 5.5950 5.5989 6.1226 6.1301 7.2575 7.2636 7.2929 7.2938 8.0828 8.0881 8.2754 8.2800 8.3959 8.4030 9.4057 9.4175 9.5098 9.5132 9.8777 9.8856 9.9229 9.9898 10.0178 10.0856 10.7301 10.7342 11.5167 11.5200 13.2728 13.2752 14.8926 14.8938 16.0740 16.0759 k =-0.3431 0.1981 0.0000 ( 1780 PWs) bands (ev): -1.4256 -1.4255 0.7853 0.7854 5.4965 5.4996 6.2067 6.2139 7.2617 7.2683 7.2962 7.2972 8.0713 8.0774 8.2464 8.2513 8.4006 8.4075 9.4157 9.4291 9.4903 9.4916 9.8727 9.8818 9.8947 9.9606 9.9894 10.0546 10.6736 10.6777 11.4570 11.4599 13.2095 13.2118 14.9074 14.9085 16.0520 16.0538 k =-0.3529 0.2038 0.0000 ( 1784 PWs) bands (ev): -1.3497 -1.3496 0.7587 0.7588 5.4011 5.4037 6.2918 6.2991 7.2664 7.2734 7.3000 7.3015 8.0591 8.0660 8.2177 8.2232 8.4067 8.4135 9.4240 9.4400 9.4714 9.4729 9.8571 9.8622 9.8789 9.9106 9.9888 10.0340 10.6147 10.6187 11.4005 11.4031 13.1492 13.1514 14.9213 14.9224 16.0320 16.0338 k =-0.3627 0.2094 0.0000 ( 1784 PWs) bands (ev): -1.2730 -1.2729 0.7294 0.7295 5.3094 5.3117 6.3776 6.3851 7.2716 7.2785 7.3043 7.3067 8.0459 8.0541 8.1895 8.1957 8.4145 8.4211 9.4276 9.4466 9.4558 9.4602 9.8149 9.8303 9.8755 9.8840 9.9885 10.0212 10.5539 10.5578 11.3475 11.3497 13.0925 13.0944 14.9343 14.9354 16.0142 16.0159 k =-0.3725 0.2151 0.0000 ( 1776 PWs) bands (ev): -1.1958 -1.1956 0.6973 0.6974 5.2222 5.2241 6.4638 6.4717 7.2770 7.2834 7.3092 7.3132 8.0315 8.0414 8.1616 8.1690 8.4237 8.4301 9.4212 9.4316 9.4575 9.4623 9.7706 9.7823 9.8724 9.8759 9.9884 10.0131 10.4916 10.4954 11.2980 11.2999 13.0395 13.0412 14.9465 14.9475 15.9983 16.0000 k =-0.3824 0.2208 0.0000 ( 1780 PWs) bands (ev): -1.1182 -1.1180 0.6625 0.6625 5.1398 5.1415 6.5500 6.5584 7.2821 7.2876 7.3148 7.3209 8.0157 8.0276 8.1343 8.1432 8.4341 8.4403 9.4077 9.4139 9.4614 9.4715 9.7261 9.7326 9.8692 9.8714 9.9882 10.0074 10.4287 10.4322 11.2521 11.2537 12.9904 12.9921 14.9578 14.9587 15.9844 15.9860 k =-0.3922 0.2264 0.0000 ( 1780 PWs) bands (ev): -1.0406 -1.0404 0.6249 0.6249 5.0628 5.0643 6.6358 6.6450 7.2867 7.2911 7.3214 7.3300 7.9982 8.0126 8.1078 8.1186 8.4458 8.4518 9.3924 9.3967 9.4664 9.4802 9.6834 9.6846 9.8659 9.8678 9.9880 10.0035 10.3658 10.3689 11.2098 11.2112 12.9455 12.9470 14.9682 14.9691 15.9724 15.9738 k =-0.4020 0.2321 0.0000 ( 1780 PWs) bands (ev): -0.9632 -0.9631 0.5848 0.5848 4.9914 4.9928 6.7209 6.7310 7.2905 7.2940 7.3290 7.3402 7.9786 7.9957 8.0826 8.0953 8.4584 8.4642 9.3769 9.3802 9.4703 9.4880 9.6392 9.6437 9.8626 9.8645 9.9880 10.0006 10.3039 10.3066 11.1712 11.1724 12.9048 12.9061 14.9777 14.9786 15.9620 15.9634 k =-0.4118 0.2377 0.0000 ( 1780 PWs) bands (ev): -0.8865 -0.8864 0.5422 0.5423 4.9260 4.9272 6.8047 6.8159 7.2935 7.2961 7.3374 7.3515 7.9568 7.9763 8.0593 8.0737 8.4718 8.4773 9.3616 9.3643 9.4718 9.4946 9.5972 9.6086 9.8590 9.8611 9.9880 9.9983 10.2439 10.2461 11.1364 11.1374 12.8683 12.8695 14.9863 14.9871 15.9533 15.9546 k =-0.4216 0.2434 0.0000 ( 1776 PWs) bands (ev): -0.8109 -0.8108 0.4976 0.4977 4.8669 4.8679 6.8865 6.8991 7.2958 7.2978 7.3463 7.3635 7.9323 7.9538 8.0385 8.0538 8.4856 8.4907 9.3468 9.3492 9.4694 9.4989 9.5602 9.5800 9.8552 9.8575 9.9880 9.9965 10.1870 10.1887 11.1054 11.1062 12.8359 12.8370 14.9941 14.9948 15.9461 15.9472 k =-0.4314 0.2491 0.0000 ( 1782 PWs) bands (ev): -0.7372 -0.7370 0.4515 0.4515 4.8142 4.8152 6.9656 6.9801 7.2976 7.2991 7.3553 7.3759 7.9054 7.9279 8.0206 8.0359 8.4995 8.5042 9.3321 9.3345 9.4617 9.4960 9.5333 9.5597 9.8506 9.8532 9.9880 9.9950 10.1344 10.1355 11.0781 11.0788 12.8077 12.8086 15.0009 15.0015 15.9402 15.9412 k =-0.4412 0.2547 0.0000 ( 1776 PWs) bands (ev): -0.6660 -0.6658 0.4044 0.4045 4.7683 4.7691 7.0410 7.0580 7.2989 7.3001 7.3641 7.3888 7.8761 7.8988 8.0056 8.0199 8.5131 8.5174 9.3181 9.3205 9.4490 9.4780 9.5252 9.5479 9.8456 9.8484 9.9881 9.9939 10.0875 10.0879 11.0545 11.0551 12.7835 12.7843 15.0068 15.0074 15.9355 15.9364 k =-0.4510 0.2604 0.0000 ( 1780 PWs) bands (ev): -0.5986 -0.5984 0.3576 0.3576 4.7292 4.7298 7.1114 7.1314 7.2999 7.3008 7.3725 7.4018 7.8449 7.8672 7.9933 8.0059 8.5259 8.5297 9.3048 9.3072 9.4340 9.4547 9.5261 9.5419 9.8396 9.8426 9.9881 9.9928 10.0470 10.0471 11.0346 11.0351 12.7632 12.7639 15.0118 15.0123 15.9319 15.9326 k =-0.4608 0.2660 0.0000 ( 1782 PWs) bands (ev): -0.5365 -0.5364 0.3125 0.3125 4.6970 4.6975 7.1751 7.1987 7.3006 7.3013 7.3807 7.4148 7.8128 7.8340 7.9834 7.9939 8.5375 8.5407 9.2926 9.2949 9.4198 9.4340 9.5286 9.5393 9.8329 9.8358 9.9878 9.9915 10.0144 10.0148 11.0184 11.0188 12.7468 12.7473 15.0160 15.0163 15.9292 15.9298 k =-0.4706 0.2717 0.0000 ( 1784 PWs) bands (ev): -0.4822 -0.4821 0.2714 0.2714 4.6719 4.6723 7.2299 7.2566 7.3012 7.3016 7.3897 7.4274 7.7816 7.8009 7.9759 7.9840 8.5473 8.5498 9.2823 9.2843 9.4081 9.4175 9.5310 9.5381 9.8259 9.8284 9.9840 9.9862 9.9936 9.9948 11.0058 11.0061 12.7341 12.7345 15.0192 15.0195 15.9272 15.9277 k =-0.4804 0.2774 0.0000 ( 1780 PWs) bands (ev): -0.4387 -0.4386 0.2374 0.2375 4.6540 4.6542 7.2734 7.2988 7.3020 7.3020 7.4022 7.4380 7.7545 7.7701 7.9710 7.9765 8.5549 8.5566 9.2744 9.2759 9.3998 9.4056 9.5332 9.5375 9.8197 9.8215 9.9708 9.9717 9.9905 9.9919 10.9970 10.9971 12.7251 12.7254 15.0215 15.0217 15.9259 15.9262 k =-0.4902 0.2830 0.0000 ( 1792 PWs) bands (ev): -0.4101 -0.4101 0.2145 0.2146 4.6432 4.6433 7.3012 7.3016 7.3043 7.3198 7.4202 7.4427 7.7366 7.7458 7.9685 7.9713 8.5598 8.5607 9.2695 9.2703 9.3953 9.3980 9.5347 9.5367 9.8152 9.8162 9.9615 9.9620 9.9904 9.9911 10.9916 10.9917 12.7198 12.7199 15.0229 15.0230 15.9252 15.9254 k =-0.5000 0.2887 0.0000 ( 1792 PWs) bands (ev): -0.4001 -0.4001 0.2064 0.2064 4.6396 4.6396 7.3017 7.3017 7.3198 7.3198 7.4366 7.4366 7.7332 7.7332 7.9686 7.9686 8.5618 8.5618 9.2681 9.2681 9.3946 9.3946 9.5359 9.5359 9.8140 9.8140 9.9588 9.9588 9.9906 9.9906 10.9898 10.9898 12.7180 12.7180 15.0234 15.0234 15.9251 15.9251 k =-0.5000 0.2887 0.0000 ( 1792 PWs) bands (ev): -0.4001 -0.4001 0.2064 0.2064 4.6396 4.6396 7.3017 7.3017 7.3198 7.3198 7.4366 7.4366 7.7332 7.7332 7.9686 7.9686 8.5618 8.5618 9.2681 9.2681 9.3946 9.3946 9.5359 9.5359 9.8140 9.8140 9.9588 9.9588 9.9906 9.9906 10.9898 10.9898 12.7180 12.7180 15.0234 15.0234 15.9251 15.9251 k =-0.4943 0.2986-0.0000 ( 1792 PWs) bands (ev): -0.3993 -0.3993 0.2069 0.2070 4.6398 4.6398 7.2723 7.2734 7.3358 7.3359 7.4507 7.4508 7.7275 7.7360 7.9523 7.9669 8.5612 8.5663 9.2689 9.2703 9.3947 9.3972 9.5373 9.5384 9.8140 9.8142 9.9586 9.9587 9.9901 9.9910 10.9928 10.9933 12.7159 12.7161 15.0006 15.0028 15.9316 15.9317 k =-0.4885 0.3086-0.0000 ( 1790 PWs) bands (ev): -0.3969 -0.3969 0.2086 0.2086 4.6405 4.6405 7.2289 7.2304 7.3483 7.3484 7.4849 7.4862 7.7182 7.7357 7.9193 7.9488 8.5646 8.5739 9.2724 9.2753 9.3975 9.4026 9.5427 9.5448 9.8140 9.8145 9.9584 9.9585 9.9895 9.9912 11.0022 11.0032 12.7097 12.7100 14.9378 14.9418 15.9514 15.9515 k =-0.4828 0.3185-0.0000 ( 1790 PWs) bands (ev): -0.3930 -0.3930 0.2113 0.2113 4.6414 4.6414 7.1823 7.1840 7.3570 7.3572 7.5265 7.5313 7.7046 7.7304 7.8742 7.9188 8.5708 8.5832 9.2779 9.2822 9.4032 9.4105 9.5521 9.5551 9.8142 9.8149 9.9579 9.9580 9.9886 9.9912 11.0178 11.0191 12.6992 12.6997 14.8427 14.8480 15.9843 15.9845 k =-0.4770 0.3285-0.0000 ( 1780 PWs) bands (ev): -0.3875 -0.3875 0.2150 0.2151 4.6427 4.6427 7.1349 7.1367 7.3656 7.3658 7.5641 7.5797 7.6888 7.7136 7.8272 7.8837 8.5787 8.5929 9.2844 9.2898 9.4119 9.4210 9.5653 9.5692 9.8146 9.8156 9.9574 9.9575 9.9879 9.9912 11.0390 11.0408 12.6845 12.6852 14.7241 14.7302 16.0303 16.0305 k =-0.4713 0.3384-0.0000 ( 1781 PWs) bands (ev): -0.3804 -0.3804 0.2197 0.2198 4.6442 4.6442 7.0873 7.0892 7.3750 7.3752 7.5733 7.6254 7.6737 7.6884 7.7968 7.8513 8.5872 8.6023 9.2909 9.2972 9.4230 9.4334 9.5821 9.5867 9.8150 9.8162 9.9566 9.9567 9.9868 9.9909 11.0655 11.0676 12.6653 12.6661 14.5895 14.5962 16.0893 16.0896 k =-0.4655 0.3484-0.0000 ( 1777 PWs) bands (ev): -0.3718 -0.3718 0.2253 0.2255 4.6458 4.6459 7.0404 7.0423 7.3859 7.3860 7.5344 7.5953 7.6788 7.7199 7.7895 7.8269 8.5956 8.6109 9.2970 9.3038 9.4362 9.4472 9.6026 9.6077 9.8155 9.8168 9.9557 9.9558 9.9856 9.9903 11.0964 11.0988 12.6415 12.6426 14.4447 14.4516 16.1612 16.1616 k =-0.4598 0.3584-0.0000 ( 1781 PWs) bands (ev): -0.3617 -0.3616 0.2318 0.2320 4.6474 4.6475 6.9940 6.9960 7.3979 7.3980 7.4672 7.5118 7.7109 7.7605 7.8030 7.8154 8.6035 8.6185 9.3024 9.3094 9.4505 9.4618 9.6262 9.6316 9.8160 9.8176 9.9547 9.9547 9.9842 9.9896 11.1311 11.1337 12.6129 12.6141 14.2937 14.3007 16.2458 16.2463 k =-0.4540 0.3683-0.0000 ( 1777 PWs) bands (ev): -0.3500 -0.3500 0.2389 0.2391 4.6489 4.6489 6.9486 6.9505 7.3856 7.4072 7.4122 7.4241 7.7258 7.7765 7.8382 7.8383 8.6107 8.6253 9.3072 9.3142 9.4653 9.4763 9.6530 9.6585 9.8167 9.8184 9.9537 9.9537 9.9830 9.9889 11.1687 11.1714 12.5794 12.5807 14.1395 14.1465 16.3429 16.3434 k =-0.4483 0.3783-0.0000 ( 1779 PWs) bands (ev): -0.3369 -0.3369 0.2467 0.2469 4.6500 4.6500 6.9040 6.9060 7.2968 7.3219 7.4275 7.4284 7.7297 7.7712 7.8861 7.8876 8.6173 8.6312 9.3112 9.3183 9.4796 9.4900 9.6827 9.6881 9.8174 9.8192 9.9527 9.9528 9.9814 9.9878 11.2084 11.2113 12.5406 12.5421 13.9841 13.9910 16.2248 16.2361 k =-0.4425 0.3882-0.0000 ( 1775 PWs) bands (ev): -0.3223 -0.3222 0.2549 0.2552 4.6505 4.6506 6.8606 6.8626 7.2039 7.2240 7.4443 7.4449 7.7295 7.7638 7.9388 7.9419 8.6234 8.6365 9.3148 9.3218 9.4929 9.5026 9.7152 9.7203 9.8183 9.8202 9.9521 9.9522 9.9798 9.9866 11.2495 11.2526 12.4965 12.4981 13.8291 13.8359 16.0766 16.0863 k =-0.4368 0.3982-0.0000 ( 1779 PWs) bands (ev): -0.3062 -0.3062 0.2635 0.2637 4.6502 4.6503 6.8181 6.8202 7.1096 7.1259 7.4625 7.4630 7.7278 7.7567 7.9933 7.9975 8.6289 8.6414 9.3179 9.3248 9.5049 9.5137 9.7497 9.7545 9.8193 9.8211 9.9519 9.9520 9.9781 9.9851 11.2914 11.2945 12.4468 12.4485 13.6756 13.6824 15.9358 15.9442 k =-0.4310 0.4081-0.0000 ( 1771 PWs) bands (ev): -0.2887 -0.2887 0.2721 0.2724 4.6490 4.6490 6.7768 6.7790 7.0159 7.0292 7.4818 7.4822 7.7255 7.7504 8.0485 8.0534 8.6342 8.6458 9.3210 9.3278 9.5154 9.5232 9.7855 9.7904 9.8209 9.8223 9.9530 9.9530 9.9766 9.9837 11.3333 11.3365 12.3914 12.3933 13.5247 13.5312 15.8030 15.8103 k =-0.4253 0.4181-0.0000 ( 1775 PWs) bands (ev): -0.2699 -0.2699 0.2807 0.2810 4.6464 4.6465 6.7364 6.7388 6.9244 6.9354 7.5022 7.5025 7.7230 7.7447 8.1037 8.1092 8.6390 8.6499 9.3233 9.3301 9.5240 9.5308 9.8149 9.8210 9.8286 9.8290 9.9564 9.9569 9.9752 9.9820 11.3749 11.3781 12.3302 12.3322 13.3770 13.3833 15.6787 15.6851 k =-0.4195 0.4280-0.0000 ( 1779 PWs) bands (ev): -0.2497 -0.2497 0.2890 0.2894 4.6423 4.6424 6.6969 6.6995 6.8367 6.8457 7.5235 7.5236 7.7206 7.7396 8.1585 8.1645 8.6435 8.6537 9.3255 9.3321 9.5309 9.5368 9.8200 9.8235 9.8579 9.8598 9.9638 9.9670 9.9757 9.9802 11.4156 11.4189 12.2634 12.2654 13.2332 13.2393 15.5632 15.5687 k =-0.4138 0.4380-0.0000 ( 1779 PWs) bands (ev): -0.2282 -0.2282 0.2968 0.2972 4.6364 4.6365 6.6576 6.6609 6.7545 6.7615 7.5454 7.5454 7.7185 7.7353 8.2125 8.2190 8.6478 8.6573 9.3274 9.3341 9.5362 9.5413 9.8216 9.8246 9.8814 9.8835 9.9678 9.9780 9.9891 9.9913 11.4553 11.4585 12.1910 12.1930 13.0939 13.0998 15.4567 15.4616 k =-0.4080 0.4479-0.0000 ( 1783 PWs) bands (ev): -0.2055 -0.2055 0.3038 0.3042 4.6285 4.6286 6.6169 6.6214 6.6804 6.6850 7.5674 7.5677 7.7168 7.7316 8.2655 8.2723 8.6519 8.6608 9.3291 9.3357 9.5399 9.5441 9.8229 9.8257 9.8938 9.8960 9.9669 9.9762 10.0250 10.0260 11.4936 11.4969 12.1132 12.1152 12.9596 12.9652 15.3593 15.3635 k =-0.4023 0.4579-0.0000 ( 1793 PWs) bands (ev): -0.1815 -0.1815 0.3097 0.3101 4.6186 4.6187 6.5705 6.5771 6.6197 6.6213 7.5896 7.5903 7.7157 7.7287 8.3171 8.3243 8.6557 8.6640 9.3304 9.3369 9.5419 9.5455 9.8241 9.8268 9.8986 9.9007 9.9652 9.9741 10.0714 10.0717 11.5305 11.5338 12.0306 12.0325 12.8308 12.8361 15.2710 15.2747 k =-0.3966 0.4679-0.0000 ( 1789 PWs) bands (ev): -0.1564 -0.1564 0.3143 0.3147 4.6065 4.6066 6.5169 6.5242 6.5749 6.5751 7.6115 7.6127 7.7154 7.7266 8.3670 8.3745 8.6595 8.6672 9.3316 9.3381 9.5429 9.5459 9.8254 9.8280 9.8995 9.9016 9.9635 9.9722 10.1240 10.1242 11.5659 11.5692 11.9435 11.9453 12.7080 12.7131 15.1917 15.1949 k =-0.3908 0.4778-0.0000 ( 1785 PWs) bands (ev): -0.1302 -0.1302 0.3172 0.3176 4.5924 4.5925 6.4634 6.4701 6.5391 6.5393 7.6325 7.6345 7.7161 7.7254 8.4148 8.4226 8.6632 8.6703 9.3325 9.3390 9.5427 9.5450 9.8269 9.8293 9.8985 9.9007 9.9617 9.9702 10.1808 10.1815 11.5996 11.6029 11.8528 11.8545 12.5917 12.5966 15.1212 15.1239 k =-0.3851 0.4878-0.0000 ( 1787 PWs) bands (ev): -0.1029 -0.1029 0.3180 0.3184 4.5765 4.5765 6.4152 6.4212 6.5074 6.5077 7.6520 7.6553 7.7183 7.7255 8.4602 8.4681 8.6667 8.6734 9.3330 9.3394 9.5414 9.5433 9.8283 9.8306 9.8965 9.8986 9.9599 9.9682 10.2411 10.2422 11.6311 11.6344 11.7596 11.7611 12.4823 12.4870 15.0591 15.0613 k =-0.3793 0.4977-0.0000 ( 1787 PWs) bands (ev): -0.0746 -0.0746 0.3164 0.3169 4.5591 4.5591 6.3742 6.3796 6.4782 6.4787 7.6692 7.6743 7.7225 7.7270 8.5025 8.5106 8.6702 8.6764 9.3333 9.3396 9.5393 9.5407 9.8300 9.8320 9.8939 9.8960 9.9582 9.9662 10.3044 10.3058 11.6472 11.6479 11.6793 11.6806 12.3804 12.3849 15.0051 15.0070 k =-0.3736 0.5077-0.0000 ( 1791 PWs) bands (ev): -0.0454 -0.0453 0.3121 0.3126 4.5409 4.5409 6.3407 6.3457 6.4511 6.4517 7.6830 7.6905 7.7292 7.7308 8.5414 8.5496 8.6737 8.6795 9.3332 9.3395 9.5365 9.5375 9.8317 9.8334 9.8910 9.8931 9.9565 9.9643 10.3703 10.3720 11.5607 11.5619 11.6960 11.6994 12.2863 12.2908 14.9588 14.9603 k =-0.3678 0.5176-0.0000 ( 1791 PWs) bands (ev): -0.0153 -0.0152 0.3048 0.3052 4.5224 4.5225 6.3148 6.3195 6.4260 6.4266 7.6932 7.7028 7.7373 7.7384 8.5762 8.5843 8.6773 8.6828 9.3330 9.3392 9.5332 9.5339 9.8335 9.8349 9.8880 9.8900 9.9551 9.9625 10.4386 10.4407 11.4626 11.4638 11.7238 11.7272 12.2005 12.2050 14.9198 14.9211 k =-0.3621 0.5276-0.0000 ( 1787 PWs) bands (ev): 0.0156 0.0157 0.2941 0.2945 4.5046 4.5046 6.2961 6.3005 6.4029 6.4035 7.7007 7.7113 7.7463 7.7486 8.6060 8.6139 8.6815 8.6866 9.3327 9.3388 9.5298 9.5302 9.8355 9.8365 9.8850 9.8870 9.9538 9.9610 10.5092 10.5116 11.3641 11.3653 11.7511 11.7546 12.1234 12.1280 14.8878 14.8887 k =-0.3563 0.5375-0.0000 ( 1785 PWs) bands (ev): 0.0472 0.0473 0.2796 0.2801 4.4882 4.4882 6.2842 6.2884 6.3818 6.3823 7.7070 7.7176 7.7556 7.7582 8.6301 8.6374 8.6865 8.6910 9.3323 9.3383 9.5261 9.5263 9.8376 9.8381 9.8822 9.8840 9.9527 9.9596 10.5820 10.5847 11.2667 11.2678 11.7777 11.7812 12.0554 12.0602 14.8623 14.8630 k =-0.3506 0.5475-0.0000 ( 1785 PWs) bands (ev): 0.0794 0.0795 0.2612 0.2617 4.4740 4.4741 6.2782 6.2823 6.3630 6.3635 7.7126 7.7228 7.7634 7.7658 8.6476 8.6536 8.6931 8.6966 9.3319 9.3378 9.5227 9.5228 9.8396 9.8397 9.8797 9.8813 9.9519 9.9583 10.6563 10.6593 11.1715 11.1727 11.8035 11.8071 11.9968 12.0019 14.8430 14.8435 k =-0.3448 0.5574-0.0000 ( 1789 PWs) bands (ev): 0.1122 0.1123 0.2386 0.2391 4.4630 4.4631 6.2772 6.2813 6.3471 6.3473 7.7178 7.7276 7.7686 7.7706 8.6584 8.6628 8.7003 8.7026 9.3315 9.3375 9.5198 9.5198 9.8409 9.8415 9.8776 9.8790 9.9511 9.9572 10.7317 10.7351 11.0801 11.0813 11.8288 11.8323 11.9478 11.9533 14.8295 14.8298 k =-0.3391 0.5674-0.0000 ( 1789 PWs) bands (ev): 0.1453 0.1454 0.2117 0.2121 4.4559 4.4560 6.2792 6.2835 6.3353 6.3353 7.7223 7.7317 7.7711 7.7725 8.6640 8.6670 8.7060 8.7075 9.3313 9.3373 9.5177 9.5177 9.8416 9.8429 9.8764 9.8775 9.9508 9.9565 10.8055 10.8093 10.9960 10.9970 11.8536 11.8567 11.9087 11.9149 14.8217 14.8218 k =-0.3333 0.5774-0.0000 ( 1785 PWs) bands (ev): 0.1753 0.1757 0.1838 0.1840 4.4535 4.4535 6.2808 6.2851 6.3305 6.3307 7.7248 7.7334 7.7718 7.7722 8.6660 8.6681 8.7081 8.7095 9.3312 9.3373 9.5171 9.5171 9.8415 9.8434 9.8763 9.8770 9.9508 9.9561 10.8529 10.8571 10.9447 10.9457 11.8742 11.8755 11.8830 11.8915 14.8192 14.8192 k =-0.3333 0.5774-0.0000 ( 1785 PWs) bands (ev): 0.1753 0.1757 0.1838 0.1840 4.4535 4.4535 6.2808 6.2851 6.3305 6.3307 7.7248 7.7334 7.7718 7.7722 8.6660 8.6681 8.7081 8.7095 9.3312 9.3373 9.5171 9.5171 9.8415 9.8434 9.8763 9.8770 9.9508 9.9561 10.8529 10.8571 10.9447 10.9457 11.8742 11.8755 11.8830 11.8915 14.8192 14.8192 k =-0.3333 0.5774 0.0112 ( 1785 PWs) bands (ev): 0.1756 0.1760 0.1841 0.1843 4.4550 4.4551 6.2781 6.2824 6.3278 6.3280 7.7263 7.7349 7.7733 7.7737 8.6637 8.6661 8.7049 8.7066 9.3313 9.3374 9.5169 9.5169 9.8413 9.8434 9.8764 9.8772 9.9506 9.9560 10.8485 10.8526 10.9399 10.9409 11.8833 11.8846 11.8916 11.9000 14.8267 14.8268 k =-0.3333 0.5774 0.0225 ( 1779 PWs) bands (ev): 0.1764 0.1768 0.1849 0.1851 4.4597 4.4598 6.2702 6.2744 6.3199 6.3200 7.7309 7.7394 7.7776 7.7780 8.6540 8.6569 8.6989 8.7012 9.3315 9.3376 9.5163 9.5164 9.8405 9.8433 9.8766 9.8781 9.9504 9.9558 10.8357 10.8396 10.9260 10.9269 11.9099 11.9111 11.9168 11.9249 14.8492 14.8492 k =-0.3333 0.5774 0.0337 ( 1779 PWs) bands (ev): 0.1778 0.1781 0.1863 0.1865 4.4676 4.4676 6.2571 6.2612 6.3069 6.3070 7.7382 7.7466 7.7846 7.7850 8.6313 8.6343 8.6963 8.6986 9.3317 9.3378 9.5153 9.5154 9.8392 9.8429 9.8768 9.8793 9.9498 9.9552 10.8156 10.8191 10.9044 10.9052 11.9526 11.9536 11.9574 11.9652 14.8864 14.8864 k =-0.3333 0.5774 0.0449 ( 1785 PWs) bands (ev): 0.1797 0.1800 0.1882 0.1884 4.4785 4.4785 6.2392 6.2432 6.2890 6.2891 7.7483 7.7564 7.7941 7.7945 8.5953 8.5980 8.6982 8.7004 9.3321 9.3381 9.5138 9.5141 9.8371 9.8418 9.8772 9.8808 9.9489 9.9543 10.7899 10.7929 10.8771 10.8777 12.0092 12.0102 12.0116 12.0190 14.9380 14.9380 k =-0.3333 0.5774 0.0562 ( 1785 PWs) bands (ev): 0.1821 0.1824 0.1906 0.1908 4.4925 4.4925 6.2170 6.2207 6.2667 6.2668 7.7606 7.7685 7.8058 7.8063 8.5478 8.5504 8.7030 8.7050 9.3324 9.3385 9.5117 9.5122 9.8344 9.8402 9.8778 9.8825 9.9479 9.9533 10.7600 10.7626 10.8457 10.8463 12.0777 12.0781 12.0787 12.0848 15.0035 15.0035 k =-0.3333 0.5774 0.0674 ( 1782 PWs) bands (ev): 0.1850 0.1853 0.1936 0.1938 4.5096 4.5097 6.1907 6.1943 6.2405 6.2406 7.7750 7.7827 7.8195 7.8200 8.4908 8.4933 8.7097 8.7118 9.3328 9.3388 9.5091 9.5097 9.8309 9.8377 9.8786 9.8843 9.9467 9.9521 10.7274 10.7296 10.8120 10.8125 12.1544 12.1571 12.1575 12.1610 15.0823 15.0824 k =-0.3333 0.5774 0.0786 ( 1782 PWs) bands (ev): 0.1884 0.1887 0.1970 0.1972 4.5299 4.5299 6.1610 6.1644 6.2107 6.2108 7.7911 7.7985 7.8347 7.8353 8.4254 8.4280 8.7181 8.7202 9.3331 9.3391 9.5059 9.5067 9.8264 9.8338 9.8798 9.8862 9.9454 9.9509 10.6933 10.6950 10.7771 10.7775 12.2399 12.2448 12.2450 12.2466 15.1739 15.1740 k =-0.3333 0.5774 0.0899 ( 1782 PWs) bands (ev): 0.1922 0.1925 0.2008 0.2010 4.5532 4.5532 6.1283 6.1314 6.1780 6.1780 7.8085 7.8156 7.8510 7.8518 8.3528 8.3555 8.7279 8.7302 9.3333 9.3393 9.5019 9.5030 9.8208 9.8284 9.8815 9.8883 9.9441 9.9495 10.6586 10.6599 10.7419 10.7422 12.3332 12.3384 12.3406 12.3413 15.2774 15.2775 k =-0.3333 0.5774 0.1011 ( 1782 PWs) bands (ev): 0.1964 0.1967 0.2051 0.2053 4.5796 4.5796 6.0931 6.0960 6.1428 6.1428 7.8270 7.8337 7.8681 7.8692 8.2740 8.2770 8.7392 8.7416 9.3333 9.3393 9.4971 9.4986 9.8139 9.8214 9.8837 9.8906 9.9427 9.9482 10.6239 10.6248 10.7070 10.7072 12.4333 12.4383 12.4430 12.4434 15.3923 15.3924 k =-0.3333 0.5774 0.1123 ( 1782 PWs) bands (ev): 0.2010 0.2013 0.2097 0.2099 4.6090 4.6090 6.0558 6.0585 6.1055 6.1055 7.8461 7.8526 7.8855 7.8871 8.1900 8.1935 8.7517 8.7543 9.3331 9.3390 9.4916 9.4934 9.8057 9.8128 9.8866 9.8932 9.9415 9.9469 10.5897 10.5903 10.6728 10.6730 12.5395 12.5442 12.5514 12.5516 15.5178 15.5179 k =-0.3333 0.5774 0.1236 ( 1782 PWs) bands (ev): 0.2060 0.2063 0.2147 0.2149 4.6415 4.6415 6.0171 6.0196 6.0668 6.0668 7.8657 7.8718 7.9018 7.9046 8.1022 8.1069 8.7655 8.7684 9.3327 9.3385 9.4852 9.4875 9.7960 9.8024 9.8901 9.8963 9.9404 9.9458 10.5564 10.5567 10.6397 10.6398 12.6511 12.6555 12.6651 12.6652 15.6532 15.6533 k =-0.3333 0.5774 0.1348 ( 1776 PWs) bands (ev): 0.2112 0.2115 0.2200 0.2201 4.6770 4.6770 5.9774 5.9797 6.0270 6.0271 7.8855 7.8911 7.9128 7.9187 8.0144 8.0224 8.7806 8.7837 9.3319 9.3377 9.4780 9.4809 9.7848 9.7904 9.8943 9.9001 9.9395 9.9449 10.5241 10.5241 10.6077 10.6078 12.7675 12.7716 12.7837 12.7838 15.7978 15.7980 k =-0.3333 0.5774 0.1460 ( 1776 PWs) bands (ev): 0.2167 0.2170 0.2255 0.2257 4.7155 4.7155 5.9371 5.9391 5.9865 5.9866 7.8832 7.8902 7.9082 7.9125 7.9629 7.9729 8.7968 8.8002 9.3308 9.3365 9.4700 9.4736 9.7720 9.7767 9.8993 9.9045 9.9389 9.9444 10.4928 10.4931 10.5770 10.5770 12.8881 12.8920 12.9065 12.9066 15.9510 15.9512 k =-0.3333 0.5774 0.1573 ( 1773 PWs) bands (ev): 0.2223 0.2226 0.2312 0.2314 4.7570 4.7570 5.8965 5.8984 5.9458 5.9460 7.7998 7.8030 7.9261 7.9312 7.9720 7.9771 8.8142 8.8179 9.3294 9.3350 9.4613 9.4657 9.7577 9.7613 9.9051 9.9096 9.9388 9.9442 10.4628 10.4634 10.5476 10.5476 13.0125 13.0161 13.0330 13.0333 16.1121 16.1123 k =-0.3333 0.5774 0.1685 ( 1776 PWs) bands (ev): 0.2281 0.2284 0.2370 0.2372 4.8014 4.8015 5.8560 5.8577 5.9053 5.9055 7.7022 7.7039 7.9454 7.9502 7.9888 7.9923 8.8324 8.8365 9.3276 9.3330 9.4519 9.4572 9.7421 9.7446 9.9115 9.9155 9.9391 9.9444 10.4340 10.4348 10.5193 10.5193 13.1401 13.1435 13.1629 13.1632 16.2806 16.2809 k =-0.3333 0.5774 0.1797 ( 1764 PWs) bands (ev): 0.2341 0.2343 0.2430 0.2432 4.8488 4.8489 5.8161 5.8177 5.8653 5.8655 7.6008 7.6017 7.9643 7.9689 8.0066 8.0093 8.8520 8.8564 9.3256 9.3309 9.4423 9.4485 9.7248 9.7261 9.9188 9.9222 9.9401 9.9453 10.4067 10.4077 10.4924 10.4924 13.2704 13.2735 13.2955 13.2959 16.4559 16.4562 k =-0.3333 0.5774 0.1910 ( 1764 PWs) bands (ev): 0.2400 0.2402 0.2490 0.2491 4.8991 4.8992 5.7770 5.7784 5.8262 5.8264 7.4973 7.4978 7.9827 7.9870 8.0241 8.0265 8.8725 8.8774 9.3231 9.3281 9.4318 9.4392 9.7062 9.7063 9.9267 9.9294 9.9417 9.9467 10.3807 10.3819 10.4667 10.4667 13.4027 13.4056 13.4303 13.4309 16.6375 16.6379 k =-0.3333 0.5774 0.2022 ( 1764 PWs) bands (ev): 0.2459 0.2461 0.2549 0.2551 4.9522 4.9524 5.7391 5.7404 5.7882 5.7885 7.3927 7.3930 8.0004 8.0043 8.0413 8.0434 8.8940 8.8993 9.3202 9.3250 9.4211 9.4297 9.6852 9.6863 9.9351 9.9369 9.9442 9.9486 10.3560 10.3574 10.4422 10.4422 13.5364 13.5392 13.5668 13.5674 16.8248 16.8253 k =-0.3333 0.5774 0.2134 ( 1764 PWs) bands (ev): 0.2517 0.2519 0.2608 0.2609 5.0082 5.0084 5.7026 5.7037 5.7516 5.7520 7.2875 7.2876 8.0173 8.0210 8.0578 8.0597 8.9163 8.9222 9.3170 9.3216 9.4101 9.4201 9.6628 9.6652 9.9434 9.9441 9.9490 9.9512 10.3326 10.3342 10.4188 10.4188 13.6710 13.6735 13.7041 13.7048 17.0174 17.0180 k =-0.3333 0.5774 0.2247 ( 1770 PWs) bands (ev): 0.2574 0.2576 0.2665 0.2667 5.0670 5.0672 5.6678 5.6688 5.7167 5.7172 7.1820 7.1820 8.0333 8.0367 8.0735 8.0753 8.9394 8.9459 9.3136 9.3179 9.3989 9.4105 9.6394 9.6432 9.9477 9.9525 9.9550 9.9568 10.3104 10.3121 10.3965 10.3966 13.8054 13.8078 13.8416 13.8423 17.2148 17.2155 k =-0.3333 0.5774 0.2359 ( 1764 PWs) bands (ev): 0.2629 0.2631 0.2721 0.2722 5.1285 5.1288 5.6349 5.6358 5.6839 5.6844 7.0765 7.0766 8.0485 8.0516 8.0886 8.0902 8.9633 8.9705 9.3100 9.3141 9.3878 9.4012 9.6150 9.6202 9.9520 9.9574 9.9639 9.9661 10.2895 10.2913 10.3753 10.3754 13.9389 13.9411 13.9784 13.9791 17.4164 17.4173 k =-0.3333 0.5774 0.2471 ( 1758 PWs) bands (ev): 0.2681 0.2683 0.2774 0.2775 5.1926 5.1931 5.6042 5.6050 5.6531 5.6538 6.9714 6.9716 8.0626 8.0654 8.1025 8.1040 8.9880 8.9959 9.3064 9.3101 9.3767 9.3922 9.5899 9.5966 9.9567 9.9619 9.9742 9.9761 10.2698 10.2717 10.3551 10.3552 14.0704 14.0724 14.1133 14.1141 17.6218 17.6229 k =-0.3333 0.5774 0.2584 ( 1752 PWs) bands (ev): 0.2730 0.2732 0.2823 0.2824 5.2593 5.2599 5.5758 5.5765 5.6249 5.6257 6.8670 6.8672 8.0756 8.0782 8.1155 8.1169 9.0131 9.0219 9.3027 9.3061 9.3659 9.3836 9.5640 9.5724 9.9617 9.9667 9.9847 9.9863 10.2513 10.2533 10.3360 10.3361 14.1986 14.2004 14.2452 14.2459 17.8303 17.8317 k =-0.3333 0.5774 0.2696 ( 1755 PWs) bands (ev): 0.2776 0.2777 0.2869 0.2870 5.3284 5.3293 5.5500 5.5506 5.5992 5.6004 6.7634 6.7637 8.0874 8.0897 8.1273 8.1285 9.0383 9.0482 9.2992 9.3022 9.3551 9.3755 9.5377 9.5479 9.9672 9.9719 9.9952 9.9967 10.2340 10.2361 10.3179 10.3180 14.3221 14.3238 14.3725 14.3733 18.0412 18.0431 k =-0.3333 0.5774 0.2808 ( 1761 PWs) bands (ev): 0.2817 0.2819 0.2911 0.2912 5.3992 5.4007 5.5267 5.5272 5.5767 5.5785 6.6610 6.6613 8.0980 8.1000 8.1378 8.1390 9.0642 9.0751 9.2957 9.2984 9.3445 9.3679 9.5111 9.5234 9.9730 9.9773 10.0057 10.0070 10.2179 10.2200 10.3009 10.3010 14.4392 14.4406 14.4935 14.4943 18.2534 18.2562 k =-0.3333 0.5774 0.2921 ( 1761 PWs) bands (ev): 0.2854 0.2855 0.2949 0.2949 5.4695 5.4725 5.5066 5.5070 5.5589 5.5623 6.5598 6.5601 8.1073 8.1090 8.1472 8.1482 9.0901 9.1024 9.2926 9.2949 9.3341 9.3609 9.4847 9.4992 9.9789 9.9829 10.0160 10.0171 10.2032 10.2053 10.2852 10.2854 14.5479 14.5492 14.6062 14.6070 18.4650 18.4700 k =-0.3333 0.5774 0.3033 ( 1770 PWs) bands (ev): 0.2886 0.2887 0.2980 0.2981 5.4885 5.4889 5.5180 5.5234 5.5682 5.5740 6.4601 6.4605 8.1153 8.1167 8.1553 8.1561 9.1158 9.1296 9.2898 9.2917 9.3237 9.3542 9.4590 9.4758 9.9846 9.9882 10.0255 10.0264 10.1901 10.1920 10.2709 10.2711 14.6461 14.6471 14.7084 14.7090 18.6650 18.6809 k =-0.3333 0.5774 0.3145 ( 1770 PWs) bands (ev): 0.2913 0.2913 0.3007 0.3008 5.4743 5.4745 5.5160 5.5181 5.6382 5.6407 6.3622 6.3626 8.1219 8.1231 8.1620 8.1626 9.1412 9.1566 9.2875 9.2890 9.3132 9.3472 9.4352 9.4538 9.9903 9.9933 10.0345 10.0352 10.1788 10.1805 10.2584 10.2585 14.7313 14.7321 14.7973 14.7979 18.6947 18.7072 k =-0.3333 0.5774 0.3258 ( 1776 PWs) bands (ev): 0.2934 0.2934 0.3028 0.3029 5.4630 5.4632 5.5071 5.5081 5.7180 5.7195 6.2664 6.2668 8.1271 8.1280 8.1672 8.1677 9.1657 9.1826 9.2857 9.2867 9.3026 9.3384 9.4150 9.4340 9.9953 9.9977 10.0422 10.0427 10.1694 10.1709 10.2479 10.2480 14.8010 14.8017 14.8704 14.8709 18.6185 18.6234 k =-0.3333 0.5774 0.3370 ( 1776 PWs) bands (ev): 0.2949 0.2949 0.3044 0.3044 5.4549 5.4550 5.4999 5.5005 5.8001 5.8011 6.1734 6.1739 8.1309 8.1315 8.1710 8.1714 9.1886 9.2059 9.2844 9.2851 9.2927 9.3260 9.4012 9.4173 9.9995 10.0012 10.0483 10.0487 10.1625 10.1636 10.2399 10.2400 14.8529 14.8534 14.9249 14.9253 18.5577 18.5603 k =-0.3333 0.5774 0.3482 ( 1776 PWs) bands (ev): 0.2958 0.2958 0.3053 0.3053 5.4500 5.4501 5.4955 5.4957 5.8809 5.8817 6.0861 6.0866 8.1333 8.1336 8.1734 8.1735 9.2085 9.2216 9.2838 9.2854 9.2864 9.3099 9.3955 9.4047 10.0024 10.0032 10.0523 10.0525 10.1583 10.1589 10.2349 10.2349 14.8851 14.8853 14.9587 14.9589 18.5199 18.5210 k =-0.3333 0.5774 0.3595 ( 1776 PWs) bands (ev): 0.2961 0.2961 0.3056 0.3056 5.4484 5.4484 5.4940 5.4940 5.9338 5.9338 6.0318 6.0318 8.1342 8.1342 8.1742 8.1742 9.2217 9.2217 9.2840 9.2840 9.2938 9.2938 9.3971 9.3971 10.0037 10.0037 10.0538 10.0538 10.1571 10.1571 10.2332 10.2332 14.8960 14.8960 14.9702 14.9702 18.5074 18.5074 k =-0.3333 0.5774 0.3595 ( 1776 PWs) bands (ev): 0.2961 0.2961 0.3056 0.3056 5.4484 5.4484 5.4940 5.4940 5.9338 5.9338 6.0318 6.0318 8.1342 8.1342 8.1742 8.1742 9.2217 9.2217 9.2840 9.2840 9.2938 9.2938 9.3971 9.3971 10.0037 10.0037 10.0538 10.0538 10.1571 10.1571 10.2332 10.2332 14.8960 14.8960 14.9702 14.9702 18.5074 18.5074 k =-0.3391 0.5674 0.3595 ( 1776 PWs) bands (ev): 0.2950 0.2950 0.3045 0.3045 5.4417 5.4417 5.4850 5.4850 5.9458 5.9458 6.0415 6.0415 8.1343 8.1343 8.1743 8.1743 9.2212 9.2212 9.2772 9.2772 9.3015 9.3015 9.3984 9.3984 10.0005 10.0005 10.0465 10.0465 10.1650 10.1650 10.2370 10.2370 14.8930 14.8930 14.9672 14.9672 18.5028 18.5028 k =-0.3448 0.5574 0.3595 ( 1776 PWs) bands (ev): 0.2919 0.2919 0.3013 0.3013 5.4220 5.4220 5.4594 5.4594 5.9804 5.9804 6.0701 6.0701 8.1347 8.1347 8.1748 8.1748 9.2195 9.2195 9.2676 9.2676 9.3131 9.3131 9.4021 9.4021 9.9917 9.9917 10.0287 10.0287 10.1848 10.1848 10.2479 10.2479 14.8838 14.8838 14.9580 14.9580 18.4889 18.4889 k =-0.3506 0.5475 0.3595 ( 1772 PWs) bands (ev): 0.2868 0.2868 0.2962 0.2962 5.3918 5.3918 5.4221 5.4221 6.0323 6.0323 6.1149 6.1149 8.1356 8.1356 8.1756 8.1756 9.2171 9.2171 9.2587 9.2587 9.3252 9.3252 9.4079 9.4079 9.9784 9.9784 10.0061 10.0061 10.2109 10.2109 10.2647 10.2647 14.8684 14.8684 14.9426 14.9426 18.4641 18.4641 k =-0.3563 0.5375 0.3595 ( 1768 PWs) bands (ev): 0.2802 0.2802 0.2894 0.2894 5.3541 5.3541 5.3779 5.3779 6.0964 6.0964 6.1725 6.1725 8.1368 8.1368 8.1767 8.1767 9.2141 9.2141 9.2508 9.2508 9.3374 9.3374 9.4154 9.4154 9.9618 9.9618 9.9816 9.9816 10.2406 10.2406 10.2865 10.2865 14.8472 14.8472 14.9214 14.9214 18.4275 18.4275 k =-0.3621 0.5276 0.3595 ( 1766 PWs) bands (ev): 0.2720 0.2720 0.2811 0.2811 5.3117 5.3117 5.3300 5.3300 6.1692 6.1692 6.2398 6.2398 8.1381 8.1381 8.1780 8.1780 9.2110 9.2110 9.2439 9.2439 9.3496 9.3496 9.4242 9.4242 9.9429 9.9429 9.9562 9.9562 10.2731 10.2731 10.3123 10.3123 14.8202 14.8202 14.8944 14.8944 18.3788 18.3788 k =-0.3678 0.5176 0.3595 ( 1770 PWs) bands (ev): 0.2627 0.2627 0.2715 0.2715 5.2665 5.2665 5.2805 5.2805 6.2480 6.2480 6.3142 6.3142 8.1397 8.1397 8.1796 8.1796 9.2079 9.2079 9.2379 9.2379 9.3617 9.3617 9.4340 9.4340 9.9224 9.9224 9.9307 9.9307 10.3078 10.3078 10.3414 10.3414 14.7876 14.7876 14.8618 14.8618 18.3184 18.3184 k =-0.3736 0.5077 0.3595 ( 1770 PWs) bands (ev): 0.2523 0.2523 0.2609 0.2609 5.2202 5.2202 5.2307 5.2307 6.3312 6.3312 6.3939 6.3939 8.1414 8.1414 8.1812 8.1812 9.2049 9.2049 9.2329 9.2329 9.3738 9.3738 9.4448 9.4448 9.9003 9.9003 9.9060 9.9060 10.3449 10.3449 10.3738 10.3738 14.7495 14.7495 14.8238 14.8238 18.2467 18.2467 k =-0.3793 0.4977 0.3595 ( 1766 PWs) bands (ev): 0.2410 0.2410 0.2494 0.2494 5.1736 5.1736 5.1814 5.1814 6.4175 6.4175 6.4775 6.4775 8.1431 8.1431 8.1829 8.1829 9.2023 9.2023 9.2289 9.2289 9.3858 9.3858 9.4562 9.4562 9.8764 9.8764 9.8832 9.8832 10.3845 10.3845 10.4093 10.4093 14.7060 14.7060 14.7803 14.7803 18.1641 18.1641 k =-0.3851 0.4878 0.3595 ( 1762 PWs) bands (ev): 0.2291 0.2291 0.2373 0.2373 5.1274 5.1274 5.1332 5.1332 6.5059 6.5059 6.5637 6.5637 8.1450 8.1450 8.1847 8.1847 9.2002 9.2002 9.2258 9.2258 9.3976 9.3976 9.4681 9.4681 9.8516 9.8516 9.8616 9.8616 10.4266 10.4266 10.4478 10.4478 14.6571 14.6571 14.7314 14.7314 18.0685 18.0685 k =-0.3908 0.4778 0.3595 ( 1766 PWs) bands (ev): 0.2167 0.2167 0.2246 0.2246 5.0822 5.0822 5.0864 5.0864 6.5956 6.5956 6.6515 6.6515 8.1467 8.1467 8.1862 8.1862 9.1983 9.1983 9.2234 9.2234 9.4090 9.4090 9.4803 9.4803 9.8265 9.8265 9.8404 9.8404 10.4716 10.4716 10.4895 10.4895 14.6028 14.6028 14.6770 14.6770 17.9627 17.9627 k =-0.3966 0.4679 0.3595 ( 1770 PWs) bands (ev): 0.2041 0.2041 0.2116 0.2116 5.0384 5.0384 5.0412 5.0412 6.6857 6.6857 6.7402 6.7402 8.1483 8.1483 8.1877 8.1877 9.1970 9.1970 9.2219 9.2219 9.4200 9.4200 9.4927 9.4927 9.8019 9.8019 9.8200 9.8200 10.5197 10.5197 10.5347 10.5347 14.5431 14.5431 14.6171 14.6171 17.8512 17.8512 k =-0.4023 0.4579 0.3595 ( 1774 PWs) bands (ev): 0.1912 0.1912 0.1984 0.1984 4.9961 4.9961 4.9979 4.9979 6.7755 6.7755 6.8288 6.8288 8.1498 8.1498 8.1890 8.1890 9.1961 9.1961 9.2211 9.2211 9.4304 9.4304 9.5052 9.5052 9.7778 9.7778 9.8003 9.8003 10.5712 10.5712 10.5834 10.5834 14.4779 14.4779 14.5516 14.5516 17.7358 17.7358 k =-0.4080 0.4479 0.3595 ( 1770 PWs) bands (ev): 0.1784 0.1784 0.1852 0.1852 4.9556 4.9556 4.9567 4.9567 6.8645 6.8645 6.9167 6.9167 8.1511 8.1511 8.1900 8.1900 9.1957 9.1957 9.2210 9.2210 9.4401 9.4401 9.5178 9.5178 9.7543 9.7543 9.7816 9.7816 10.6263 10.6263 10.6362 10.6362 14.4071 14.4071 14.4803 14.4803 17.6184 17.6184 k =-0.4138 0.4380 0.3595 ( 1776 PWs) bands (ev): 0.1657 0.1657 0.1722 0.1722 4.9170 4.9170 4.9176 4.9176 6.9519 6.9519 7.0032 7.0032 8.1519 8.1519 8.1906 8.1906 9.1956 9.1956 9.2214 9.2214 9.4490 9.4490 9.5300 9.5300 9.7313 9.7313 9.7640 9.7640 10.6853 10.6853 10.6933 10.6933 14.3307 14.3307 14.4032 14.4032 17.5009 17.5009 k =-0.4195 0.4280 0.3595 ( 1776 PWs) bands (ev): 0.1533 0.1533 0.1594 0.1594 4.8804 4.8804 4.8809 4.8809 7.0372 7.0372 7.0875 7.0875 8.1524 8.1524 8.1907 8.1907 9.1960 9.1960 9.2223 9.2223 9.4569 9.4569 9.5421 9.5421 9.7092 9.7092 9.7477 9.7477 10.7482 10.7482 10.7550 10.7550 14.2487 14.2487 14.3202 14.3202 17.3852 17.3852 k =-0.4253 0.4181 0.3595 ( 1780 PWs) bands (ev): 0.1413 0.1413 0.1470 0.1470 4.8459 4.8459 4.8465 4.8465 7.1197 7.1197 7.1690 7.1690 8.1524 8.1524 8.1903 8.1903 9.1967 9.1967 9.2236 9.2236 9.4637 9.4637 9.5536 9.5536 9.6880 9.6880 9.7330 9.7330 10.8150 10.8150 10.8215 10.8215 14.1611 14.1611 14.2313 14.2313 17.2730 17.2730 k =-0.4310 0.4081 0.3595 ( 1780 PWs) bands (ev): 0.1297 0.1297 0.1350 0.1350 4.8138 4.8138 4.8145 4.8145 7.1989 7.1989 7.2472 7.2472 8.1520 8.1520 8.1894 8.1894 9.1978 9.1978 9.2251 9.2251 9.4693 9.4693 9.5647 9.5647 9.6679 9.6679 9.7199 9.7199 10.8858 10.8858 10.8930 10.8930 14.0683 14.0683 14.1368 14.1368 17.1657 17.1657 k =-0.4368 0.3982 0.3595 ( 1780 PWs) bands (ev): 0.1188 0.1188 0.1237 0.1237 4.7840 4.7840 4.7849 4.7849 7.2745 7.2745 7.3216 7.3216 8.1510 8.1510 8.1877 8.1877 9.1992 9.1992 9.2267 9.2267 9.4738 9.4738 9.5747 9.5747 9.6491 9.6491 9.7085 9.7085 10.9607 10.9607 10.9692 10.9692 13.9705 13.9705 14.0370 14.0370 17.0648 17.0648 k =-0.4425 0.3882 0.3595 ( 1776 PWs) bands (ev): 0.1086 0.1086 0.1130 0.1130 4.7567 4.7567 4.7576 4.7576 7.3459 7.3459 7.3917 7.3917 8.1496 8.1496 8.1855 8.1855 9.2009 9.2009 9.2284 9.2284 9.4770 9.4770 9.5830 9.5830 9.6327 9.6327 9.6990 9.6990 11.0397 11.0397 11.0498 11.0498 13.8683 13.8683 13.9324 13.9324 16.9711 16.9711 k =-0.4483 0.3783 0.3595 ( 1772 PWs) bands (ev): 0.0991 0.0991 0.1031 0.1031 4.7319 4.7319 4.7329 4.7329 7.4127 7.4127 7.4569 7.4569 8.1475 8.1475 8.1824 8.1824 9.2028 9.2028 9.2299 9.2299 9.4792 9.4792 9.5867 9.5867 9.6212 9.6212 9.6913 9.6913 11.1225 11.1225 11.1343 11.1343 13.7627 13.7627 13.8239 13.8239 16.8857 16.8857 k =-0.4540 0.3683 0.3595 ( 1772 PWs) bands (ev): 0.0905 0.0905 0.0941 0.0941 4.7096 4.7096 4.7106 4.7106 7.4746 7.4746 7.5168 7.5168 8.1448 8.1448 8.1784 8.1784 9.2049 9.2049 9.2311 9.2311 9.4806 9.4806 9.5814 9.5814 9.6190 9.6190 9.6851 9.6851 11.2085 11.2085 11.2218 11.2218 13.6547 13.6547 13.7127 13.7127 16.8091 16.8091 k =-0.4598 0.3584 0.3595 ( 1776 PWs) bands (ev): 0.0827 0.0827 0.0859 0.0859 4.6900 4.6900 4.6909 4.6909 7.5312 7.5312 7.5709 7.5709 8.1417 8.1417 8.1736 8.1736 9.2071 9.2071 9.2318 9.2318 9.4814 9.4814 9.5700 9.5700 9.6235 9.6235 9.6802 9.6802 11.2966 11.2966 11.3114 11.3114 13.5460 13.5460 13.6001 13.6001 16.7415 16.7415 k =-0.4655 0.3484 0.3595 ( 1772 PWs) bands (ev): 0.0759 0.0759 0.0787 0.0787 4.6729 4.6729 4.6737 4.6737 7.5822 7.5822 7.6189 7.6189 8.1384 8.1384 8.1682 8.1682 9.2095 9.2095 9.2323 9.2323 9.4821 9.4821 9.5573 9.5573 9.6297 9.6297 9.6764 9.6764 11.3856 11.3856 11.4013 11.4013 13.4386 13.4386 13.4883 13.4883 16.6833 16.6833 k =-0.4713 0.3384 0.3595 ( 1772 PWs) bands (ev): 0.0702 0.0702 0.0724 0.0724 4.6584 4.6584 4.6591 4.6591 7.6273 7.6273 7.6603 7.6603 8.1351 8.1351 8.1621 8.1621 9.2120 9.2120 9.2322 9.2322 9.4829 9.4829 9.5449 9.5449 9.6361 9.6361 9.6734 9.6734 11.4733 11.4733 11.4894 11.4894 13.3352 13.3352 13.3798 13.3798 16.6346 16.6346 k =-0.4770 0.3285 0.3595 ( 1768 PWs) bands (ev): 0.0654 0.0654 0.0673 0.0673 4.6465 4.6465 4.6472 4.6472 7.6661 7.6661 7.6944 7.6944 8.1323 8.1323 8.1556 8.1556 9.2146 9.2146 9.2316 9.2316 9.4842 9.4842 9.5334 9.5334 9.6420 9.6420 9.6708 9.6708 11.5569 11.5569 11.5725 11.5725 13.2395 13.2395 13.2780 13.2780 16.5952 16.5952 k =-0.4828 0.3185 0.3595 ( 1770 PWs) bands (ev): 0.0617 0.0617 0.0631 0.0631 4.6373 4.6373 4.6378 4.6378 7.6981 7.6981 7.7207 7.7207 8.1302 8.1302 8.1489 8.1489 9.2173 9.2173 9.2306 9.2306 9.4863 9.4863 9.5229 9.5229 9.6474 9.6474 9.6683 9.6683 11.6323 11.6323 11.6462 11.6462 13.1561 13.1561 13.1873 13.1873 16.5651 16.5651 k =-0.4885 0.3086 0.3595 ( 1772 PWs) bands (ev): 0.0592 0.0592 0.0601 0.0601 4.6308 4.6308 4.6311 4.6311 7.7228 7.7228 7.7386 7.7386 8.1294 8.1294 8.1426 8.1426 9.2199 9.2199 9.2290 9.2290 9.4894 9.4894 9.5137 9.5137 9.6522 9.6522 9.6658 9.6658 11.6941 11.6941 11.7049 11.7049 13.0912 13.0912 13.1134 13.1134 16.5444 16.5444 k =-0.4943 0.2986 0.3595 ( 1780 PWs) bands (ev): 0.0577 0.0577 0.0582 0.0582 4.6269 4.6269 4.6270 4.6270 7.7396 7.7396 7.7478 7.7478 8.1301 8.1301 8.1370 8.1370 9.2224 9.2224 9.2270 9.2270 9.4935 9.4935 9.5056 9.5056 9.6563 9.6563 9.6630 9.6630 11.7363 11.7363 11.7422 11.7422 13.0511 13.0511 13.0628 13.0628 16.5327 16.5327 k =-0.5000 0.2887 0.3595 ( 1780 PWs) bands (ev): 0.0574 0.0574 0.0574 0.0574 4.6256 4.6256 4.6256 4.6256 7.7481 7.7481 7.7481 7.7481 8.1328 8.1328 8.1328 8.1328 9.2248 9.2248 9.2248 9.2248 9.4989 9.4989 9.4989 9.4989 9.6599 9.6599 9.6599 9.6599 11.7533 11.7533 11.7533 11.7533 13.0410 13.0410 13.0410 13.0410 16.5302 16.5302 k =-0.5000 0.2887 0.3595 ( 1780 PWs) bands (ev): 0.0574 0.0574 0.0574 0.0574 4.6256 4.6256 4.6256 4.6256 7.7481 7.7481 7.7481 7.7481 8.1328 8.1328 8.1328 8.1328 9.2248 9.2248 9.2248 9.2248 9.4989 9.4989 9.4989 9.4989 9.6599 9.6599 9.6599 9.6599 11.7533 11.7533 11.7533 11.7533 13.0410 13.0410 13.0410 13.0410 16.5302 16.5302 k =-0.5000 0.2887 0.3482 ( 1774 PWs) bands (ev): 0.0396 0.0396 0.0744 0.0744 4.5850 4.5850 4.6703 4.6703 7.7226 7.7226 7.7742 7.7742 8.1035 8.1035 8.1613 8.1613 9.1918 9.1918 9.2569 9.2569 9.4920 9.4920 9.5061 9.5061 9.6474 9.6474 9.6730 9.6730 11.6569 11.6569 11.8517 11.8517 12.9499 12.9499 13.1304 13.1304 16.4315 16.4315 k =-0.5000 0.2887 0.3370 ( 1774 PWs) bands (ev): 0.0212 0.0212 0.0905 0.0905 4.5486 4.5486 4.7189 4.7189 7.6976 7.6976 7.8008 7.8008 8.0734 8.0734 8.1887 8.1887 9.1575 9.1575 9.2873 9.2873 9.4856 9.4856 9.5135 9.5135 9.6352 9.6352 9.6863 9.6863 11.5626 11.5626 11.9519 11.9519 12.8575 12.8575 13.2174 13.2174 16.3199 16.3199 k =-0.5000 0.2887 0.3258 ( 1778 PWs) bands (ev): 0.0023 0.0023 0.1057 0.1057 4.5162 4.5162 4.7715 4.7715 7.6732 7.6732 7.8279 7.8279 8.0430 8.0430 8.2147 8.2147 9.1222 9.1222 9.3157 9.3157 9.4802 9.4802 9.5208 9.5208 9.6237 9.6237 9.6997 9.6997 11.4703 11.4703 12.0541 12.0541 12.7642 12.7642 13.3013 13.3013 16.1996 16.1996 k =-0.5000 0.2887 0.3145 ( 1774 PWs) bands (ev): -0.0171 -0.0171 0.1200 0.1200 4.4879 4.4879 4.8280 4.8280 7.6496 7.6496 7.8554 7.8554 8.0124 8.0124 8.2392 8.2392 9.0863 9.0863 9.3410 9.3410 9.4764 9.4764 9.5282 9.5282 9.6132 9.6132 9.7133 9.7133 11.3801 11.3801 12.1581 12.1581 12.6704 12.6704 13.3814 13.3814 16.0748 16.0748 k =-0.5000 0.2887 0.3033 ( 1774 PWs) bands (ev): -0.0370 -0.0370 0.1333 0.1333 4.4638 4.4638 4.8883 4.8883 7.6265 7.6265 7.8833 7.8833 7.9817 7.9817 8.2619 8.2619 9.0496 9.0496 9.3617 9.3617 9.4751 9.4751 9.5358 9.5358 9.6040 9.6040 9.7270 9.7270 11.2920 11.2920 12.2638 12.2638 12.5766 12.5766 13.4566 13.4566 15.9495 15.9495 k =-0.5000 0.2887 0.2921 ( 1770 PWs) bands (ev): -0.0570 -0.0570 0.1456 0.1456 4.4436 4.4436 4.9523 4.9523 7.6040 7.6040 7.9115 7.9115 7.9516 7.9516 8.2825 8.2825 9.0123 9.0123 9.3765 9.3765 9.4773 9.4773 9.5431 9.5431 9.5968 9.5968 9.7407 9.7407 11.2060 11.2060 12.3696 12.3696 12.4845 12.4845 13.5253 13.5253 15.8274 15.8274 k =-0.5000 0.2887 0.2808 ( 1770 PWs) bands (ev): -0.0773 -0.0773 0.1568 0.1568 4.4274 4.4274 5.0198 5.0198 7.5822 7.5822 7.9207 7.9207 7.9411 7.9411 8.3008 8.3008 8.9741 8.9741 9.3842 9.3842 9.4825 9.4825 9.5505 9.5505 9.5926 9.5926 9.7543 9.7543 11.1222 11.1222 12.3841 12.3841 12.4859 12.4859 13.5859 13.5859 15.7125 15.7125 k =-0.5000 0.2887 0.2696 ( 1766 PWs) bands (ev): -0.0976 -0.0976 0.1669 0.1669 4.4151 4.4151 5.0908 5.0908 7.5611 7.5611 7.8918 7.8918 7.9696 7.9696 8.3166 8.3166 8.9352 8.9352 9.3861 9.3861 9.4884 9.4884 9.5579 9.5579 9.5930 9.5930 9.7678 9.7678 11.0407 11.0407 12.2935 12.2935 12.5949 12.5949 13.6361 13.6361 15.6085 15.6085 k =-0.5000 0.2887 0.2584 ( 1768 PWs) bands (ev): -0.1179 -0.1179 0.1758 0.1758 4.4065 4.4065 5.1652 5.1652 7.5407 7.5407 7.8634 7.8634 7.9987 7.9987 8.3297 8.3297 8.8957 8.8957 9.3839 9.3839 9.4917 9.4917 9.5647 9.5647 9.5992 9.5992 9.7811 9.7811 10.9613 10.9613 12.2020 12.2020 12.7073 12.7073 13.6735 13.6735 15.5194 15.5194 k =-0.5000 0.2887 0.2471 ( 1768 PWs) bands (ev): -0.1381 -0.1381 0.1838 0.1838 4.4015 4.4015 5.2427 5.2427 7.5210 7.5210 7.8359 7.8359 8.0280 8.0280 8.3397 8.3397 8.8554 8.8554 9.3794 9.3794 9.4914 9.4914 9.5705 9.5705 9.6115 9.6115 9.7943 9.7943 10.8843 10.8843 12.1116 12.1116 12.8216 12.8216 13.6956 13.6956 15.4488 15.4488 k =-0.5000 0.2887 0.2359 ( 1768 PWs) bands (ev): -0.1580 -0.1580 0.1906 0.1906 4.3999 4.3999 5.3233 5.3233 7.5021 7.5021 7.8097 7.8097 8.0574 8.0574 8.3466 8.3466 8.8143 8.8143 9.3734 9.3734 9.4881 9.4881 9.5755 9.5755 9.6278 9.6278 9.8073 9.8073 10.8096 10.8096 12.0228 12.0228 12.9374 12.9374 13.7004 13.7004 15.3998 15.3998 k =-0.5000 0.2887 0.2247 ( 1768 PWs) bands (ev): -0.1776 -0.1776 0.1965 0.1965 4.4015 4.4015 5.4068 5.4068 7.4840 7.4840 7.7849 7.7849 8.0867 8.0867 8.3500 8.3500 8.7725 8.7725 9.3666 9.3666 9.4829 9.4829 9.5800 9.5800 9.6460 9.6460 9.8200 9.8200 10.7374 10.7374 11.9359 11.9359 13.0545 13.0545 13.6870 13.6870 15.3742 15.3742 k =-0.5000 0.2887 0.2134 ( 1768 PWs) bands (ev): -0.1969 -0.1969 0.2014 0.2014 4.4060 4.4060 5.4931 5.4931 7.4667 7.4667 7.7616 7.7616 8.1158 8.1158 8.3498 8.3498 8.7301 8.7301 9.3595 9.3595 9.4767 9.4767 9.5840 9.5840 9.6647 9.6647 9.8324 9.8324 10.6677 10.6677 11.8513 11.8513 13.1727 13.1727 13.6562 13.6562 15.3721 15.3721 k =-0.5000 0.2887 0.2022 ( 1766 PWs) bands (ev): -0.2156 -0.2156 0.2053 0.2053 4.4133 4.4133 5.5819 5.5819 7.4501 7.4501 7.7402 7.7402 8.1445 8.1445 8.3459 8.3459 8.6871 8.6871 9.3521 9.3521 9.4700 9.4700 9.5874 9.5874 9.6833 9.6833 9.8444 9.8444 10.6007 10.6007 11.7693 11.7693 13.2911 13.2911 13.6108 13.6108 15.3921 15.3921 k =-0.5000 0.2887 0.1910 ( 1764 PWs) bands (ev): -0.2338 -0.2338 0.2085 0.2085 4.4230 4.4230 5.6732 5.6732 7.4347 7.4347 7.7206 7.7206 8.1721 8.1721 8.3382 8.3382 8.6436 8.6436 9.3446 9.3446 9.4630 9.4630 9.5902 9.5902 9.7009 9.7009 9.8561 9.8561 10.5362 10.5362 11.6902 11.6902 13.4069 13.4069 13.5569 13.5569 15.4314 15.4314 k =-0.5000 0.2887 0.1797 ( 1764 PWs) bands (ev): -0.2513 -0.2513 0.2108 0.2108 4.4349 4.4349 5.7667 5.7667 7.4198 7.4198 7.7031 7.7031 8.1978 8.1978 8.3273 8.3273 8.6000 8.6000 9.3372 9.3372 9.4562 9.4562 9.5922 9.5922 9.7176 9.7176 9.8673 9.8673 10.4747 10.4747 11.6143 11.6143 13.4626 13.4626 13.5551 13.5551 15.4872 15.4872 k =-0.5000 0.2887 0.1685 ( 1772 PWs) bands (ev): -0.2681 -0.2681 0.2125 0.2125 4.4486 4.4486 5.8623 5.8623 7.4057 7.4057 7.6879 7.6879 8.2194 8.2194 8.3145 8.3145 8.5566 8.5566 9.3298 9.3298 9.4495 9.4495 9.5933 9.5933 9.7329 9.7329 9.8778 9.8778 10.4161 10.4161 11.5418 11.5418 13.4018 13.4018 13.6649 13.6649 15.5563 15.5563 k =-0.5000 0.2887 0.1573 ( 1770 PWs) bands (ev): -0.2841 -0.2841 0.2135 0.2135 4.4638 4.4638 5.9597 5.9597 7.3925 7.3925 7.6751 7.6751 8.2306 8.2306 8.3052 8.3052 8.5144 8.5144 9.3228 9.3228 9.4430 9.4430 9.5937 9.5937 9.7468 9.7468 9.8880 9.8880 10.3607 10.3607 11.4732 11.4732 13.3286 13.3286 13.7850 13.7850 15.6365 15.6365 k =-0.5000 0.2887 0.1460 ( 1772 PWs) bands (ev): -0.2993 -0.2993 0.2141 0.2141 4.4802 4.4802 6.0587 6.0587 7.3801 7.3801 7.6647 7.6647 8.2224 8.2224 8.3062 8.3062 8.4753 8.4753 9.3160 9.3160 9.4370 9.4370 9.5932 9.5932 9.7593 9.7593 9.8973 9.8973 10.3086 10.3086 11.4084 11.4084 13.2541 13.2541 13.9062 13.9062 15.7254 15.7254 k =-0.5000 0.2887 0.1348 ( 1768 PWs) bands (ev): -0.3136 -0.3136 0.2142 0.2142 4.4973 4.4973 6.1592 6.1592 7.3687 7.3687 7.6569 7.6569 8.1970 8.1970 8.3106 8.3106 8.4439 8.4439 9.3095 9.3095 9.4313 9.4313 9.5917 9.5917 9.7704 9.7704 9.9063 9.9063 10.2601 10.2601 11.3478 11.3478 13.1809 13.1809 14.0272 14.0272 15.8214 15.8214 k =-0.5000 0.2887 0.1236 ( 1768 PWs) bands (ev): -0.3270 -0.3270 0.2139 0.2139 4.5149 4.5149 6.2609 6.2609 7.3581 7.3581 7.6517 7.6517 8.1612 8.1612 8.3028 8.3028 8.4287 8.4287 9.3033 9.3033 9.4259 9.4259 9.5891 9.5891 9.7799 9.7799 9.9146 9.9146 10.2153 10.2153 11.2916 11.2916 13.1109 13.1109 14.1471 14.1471 15.9230 15.9230 k =-0.5000 0.2887 0.1123 ( 1772 PWs) bands (ev): -0.3393 -0.3393 0.2133 0.2133 4.5325 4.5325 6.3635 6.3635 7.3484 7.3484 7.6493 7.6493 8.1180 8.1180 8.2772 8.2772 8.4325 8.4325 9.2975 9.2975 9.4208 9.4208 9.5855 9.5855 9.7879 9.7879 9.9221 9.9221 10.1744 10.1744 11.2399 11.2399 13.0450 13.0450 14.2652 14.2652 16.0283 16.0283 k =-0.5000 0.2887 0.1011 ( 1772 PWs) bands (ev): -0.3506 -0.3506 0.2126 0.2126 4.5498 4.5498 6.4668 6.4668 7.3396 7.3396 7.6496 7.6496 8.0686 8.0686 8.2412 8.2412 8.4470 8.4470 9.2922 9.2922 9.4162 9.4162 9.5808 9.5808 9.7947 9.7947 9.9291 9.9291 10.1377 10.1377 11.1928 11.1928 12.9842 12.9842 14.3806 14.3806 16.0406 16.0406 k =-0.5000 0.2887 0.0899 ( 1780 PWs) bands (ev): -0.3608 -0.3608 0.2116 0.2116 4.5664 4.5664 6.5704 6.5704 7.3317 7.3317 7.6524 7.6524 8.0133 8.0133 8.2011 8.2011 8.4654 8.4654 9.2873 9.2873 9.4119 9.4119 9.5753 9.5753 9.8000 9.8000 9.9352 9.9352 10.1049 10.1049 11.1505 11.1505 12.9290 12.9290 14.4921 14.4921 16.0165 16.0165 k =-0.5000 0.2887 0.0786 ( 1778 PWs) bands (ev): -0.3699 -0.3699 0.2107 0.2107 4.5821 4.5821 6.6741 6.6741 7.3248 7.3248 7.6577 7.6577 7.9528 7.9528 8.1602 8.1602 8.4845 8.4845 9.2829 9.2829 9.4081 9.4081 9.5690 9.5690 9.8044 9.8044 9.9408 9.9408 10.0767 10.0767 11.1130 11.1130 12.8799 12.8799 14.5983 14.5983 15.9951 15.9951 k =-0.5000 0.2887 0.0674 ( 1786 PWs) bands (ev): -0.3778 -0.3778 0.2097 0.2097 4.5963 4.5963 6.7774 6.7774 7.3185 7.3185 7.6648 7.6648 7.8876 7.8876 8.1200 8.1200 8.5028 8.5028 9.2790 9.2790 9.4047 9.4047 9.5623 9.5623 9.8077 9.8077 9.9455 9.9455 10.0528 10.0528 11.0804 11.0804 12.8370 12.8370 14.6977 14.6977 15.9765 15.9765 k =-0.5000 0.2887 0.0562 ( 1784 PWs) bands (ev): -0.3846 -0.3846 0.2088 0.2088 4.6090 4.6090 6.8800 6.8800 7.3135 7.3135 7.6723 7.6723 7.8192 7.8192 8.0818 8.0818 8.5196 8.5196 9.2758 9.2758 9.4017 9.4017 9.5556 9.5556 9.8102 9.8102 9.9495 9.9495 10.0331 10.0331 11.0528 11.0528 12.8007 12.8007 14.7882 14.7882 15.9607 15.9607 k =-0.5000 0.2887 0.0449 ( 1784 PWs) bands (ev): -0.3901 -0.3901 0.2080 0.2080 4.6197 4.6197 6.9815 6.9815 7.3093 7.3093 7.6734 7.6734 7.7541 7.7541 8.0465 8.0465 8.5341 8.5341 9.2731 9.2731 9.3993 9.3993 9.5493 9.5493 9.8119 9.8119 9.9529 9.9529 10.0174 10.0174 11.0301 11.0301 12.7709 12.7709 14.8675 14.8675 15.9479 15.9479 k =-0.5000 0.2887 0.0337 ( 1782 PWs) bands (ev): -0.3945 -0.3945 0.2073 0.2073 4.6283 4.6283 7.0811 7.0811 7.3060 7.3060 7.6372 7.6372 7.7231 7.7231 8.0156 8.0156 8.5459 8.5459 9.2709 9.2709 9.3973 9.3973 9.5438 9.5438 9.8131 9.8131 9.9555 9.9555 10.0056 10.0056 11.0125 11.0125 12.7478 12.7478 14.9331 14.9331 15.9379 15.9379 k =-0.5000 0.2887 0.0225 ( 1784 PWs) bands (ev): -0.3976 -0.3976 0.2069 0.2069 4.6346 4.6346 7.1775 7.1775 7.3038 7.3038 7.5644 7.5644 7.7250 7.7250 7.9908 7.9908 8.5546 8.5546 9.2694 9.2694 9.3958 9.3958 9.5396 9.5396 9.8137 9.8137 9.9573 9.9573 9.9972 9.9972 11.0000 11.0000 12.7313 12.7313 14.9824 14.9824 15.9308 15.9308 k =-0.5000 0.2887 0.0112 ( 1788 PWs) bands (ev): -0.3994 -0.3994 0.2065 0.2065 4.6384 4.6384 7.2669 7.2669 7.3024 7.3024 7.4861 7.4861 7.7308 7.7308 7.9744 7.9744 8.5600 8.5600 9.2684 9.2684 9.3949 9.3949 9.5369 9.5369 9.8139 9.8139 9.9584 9.9584 9.9923 9.9923 10.9924 10.9924 12.7214 12.7214 15.0130 15.0130 15.9265 15.9265 k =-0.5000 0.2887 0.0000 ( 1792 PWs) bands (ev): -0.4001 -0.4001 0.2064 0.2064 4.6396 4.6396 7.3017 7.3017 7.3198 7.3198 7.4366 7.4366 7.7332 7.7332 7.9686 7.9686 8.5618 8.5618 9.2681 9.2681 9.3946 9.3946 9.5359 9.5359 9.8140 9.8140 9.9588 9.9588 9.9906 9.9906 10.9898 10.9898 12.7180 12.7180 15.0234 15.0234 15.9251 15.9251 k = 0.0000 0.0000 0.3595 ( 1760 PWs) bands (ev): -1.5930 -1.5930 -1.5930 -1.5930 7.8711 7.8711 7.8711 7.8711 7.8801 7.8801 7.8801 7.8801 7.9214 7.9214 7.9214 7.9214 9.1780 9.1780 9.1780 9.1780 9.1902 9.1902 9.1902 9.1902 10.8756 10.8756 10.8756 10.8756 13.4916 13.4916 13.4916 13.4916 13.6572 13.6572 13.6572 13.6572 17.2776 17.2776 k =-0.0098 0.0057 0.3595 ( 1764 PWs) bands (ev): -1.5919 -1.5919 -1.5919 -1.5919 7.8531 7.8531 7.8540 7.8540 7.8782 7.8782 7.8790 7.8790 7.9369 7.9369 7.9389 7.9389 9.1773 9.1773 9.1774 9.1774 9.1903 9.1903 9.1906 9.1906 10.8770 10.8770 10.8775 10.8775 13.4866 13.4866 13.4867 13.4867 13.6519 13.6519 13.6521 13.6521 17.2849 17.2849 k =-0.0196 0.0113 0.3595 ( 1768 PWs) bands (ev): -1.5886 -1.5886 -1.5886 -1.5886 7.8188 7.8188 7.8201 7.8201 7.8780 7.8780 7.8783 7.8783 7.9640 7.9640 7.9662 7.9662 9.1757 9.1757 9.1758 9.1758 9.1912 9.1912 9.1917 9.1917 10.8818 10.8818 10.8826 10.8826 13.4712 13.4712 13.4714 13.4714 13.6367 13.6367 13.6371 13.6371 17.3063 17.3063 k =-0.0294 0.0170 0.3595 ( 1764 PWs) bands (ev): -1.5831 -1.5831 -1.5831 -1.5831 7.7797 7.7797 7.7811 7.7811 7.8778 7.8778 7.8779 7.8779 7.9912 7.9912 7.9935 7.9935 9.1735 9.1735 9.1736 9.1736 9.1924 9.1924 9.1932 9.1932 10.8897 10.8897 10.8910 10.8910 13.4445 13.4445 13.4449 13.4449 13.6135 13.6135 13.6140 13.6140 17.3404 17.3405 k =-0.0392 0.0226 0.3595 ( 1762 PWs) bands (ev): -1.5754 -1.5754 -1.5753 -1.5753 7.7373 7.7373 7.7386 7.7386 7.8774 7.8774 7.8775 7.8775 8.0170 8.0170 8.0194 8.0194 9.1707 9.1707 9.1709 9.1709 9.1939 9.1939 9.1950 9.1950 10.9007 10.9007 10.9024 10.9024 13.4055 13.4055 13.4061 13.4061 13.5846 13.5846 13.5852 13.5852 17.3849 17.3849 k =-0.0490 0.0283 0.3595 ( 1762 PWs) bands (ev): -1.5654 -1.5654 -1.5654 -1.5654 7.6920 7.6920 7.6932 7.6932 7.8769 7.8769 7.8771 7.8771 8.0412 8.0412 8.0437 8.0437 9.1675 9.1675 9.1677 9.1677 9.1955 9.1955 9.1968 9.1968 10.9146 10.9146 10.9166 10.9166 13.3536 13.3536 13.3545 13.3545 13.5521 13.5521 13.5528 13.5528 17.4361 17.4361 k =-0.0588 0.0340 0.3595 ( 1768 PWs) bands (ev): -1.5533 -1.5533 -1.5533 -1.5533 7.6437 7.6437 7.6448 7.6448 7.8761 7.8761 7.8765 7.8765 8.0638 8.0638 8.0663 8.0663 9.1639 9.1639 9.1641 9.1641 9.1972 9.1972 9.1987 9.1987 10.9310 10.9310 10.9335 10.9335 13.2896 13.2896 13.2907 13.2907 13.5174 13.5174 13.5181 13.5181 17.4886 17.4886 k =-0.0686 0.0396 0.3595 ( 1768 PWs) bands (ev): -1.5390 -1.5390 -1.5390 -1.5390 7.5927 7.5927 7.5937 7.5937 7.8753 7.8753 7.8758 7.8758 8.0849 8.0849 8.0875 8.0875 9.1598 9.1598 9.1601 9.1601 9.1990 9.1990 9.2008 9.2008 10.9498 10.9498 10.9526 10.9526 13.2150 13.2150 13.2164 13.2164 13.4807 13.4807 13.4815 13.4815 17.5353 17.5353 k =-0.0784 0.0453 0.3595 ( 1764 PWs) bands (ev): -1.5226 -1.5226 -1.5226 -1.5226 7.5390 7.5390 7.5398 7.5398 7.8745 7.8745 7.8751 7.8751 8.1046 8.1046 8.1072 8.1072 9.1555 9.1555 9.1557 9.1557 9.2010 9.2010 9.2031 9.2031 10.9705 10.9705 10.9737 10.9737 13.1319 13.1319 13.1337 13.1337 13.4421 13.4421 13.4429 13.4429 17.5674 17.5674 k =-0.0882 0.0509 0.3595 ( 1764 PWs) bands (ev): -1.5041 -1.5041 -1.5040 -1.5040 7.4825 7.4825 7.4833 7.4833 7.8734 7.8734 7.8742 7.8742 8.1229 8.1229 8.1256 8.1256 9.1507 9.1507 9.1510 9.1510 9.2031 9.2031 9.2055 9.2055 10.9927 10.9927 10.9963 10.9963 13.0426 13.0426 13.0446 13.0446 13.4013 13.4013 13.4022 13.4022 17.5777 17.5777 k =-0.0980 0.0566 0.3595 ( 1766 PWs) bands (ev): -1.4834 -1.4834 -1.4833 -1.4833 7.4234 7.4234 7.4240 7.4240 7.8723 7.8723 7.8731 7.8731 8.1401 8.1401 8.1427 8.1427 9.1456 9.1456 9.1458 9.1458 9.2055 9.2055 9.2081 9.2081 11.0159 11.0159 11.0198 11.0198 12.9490 12.9490 12.9513 12.9513 13.3584 13.3584 13.3594 13.3594 17.5643 17.5644 k =-0.1078 0.0623 0.3595 ( 1760 PWs) bands (ev): -1.4607 -1.4607 -1.4606 -1.4606 7.3617 7.3617 7.3622 7.3622 7.8709 7.8709 7.8718 7.8718 8.1562 8.1562 8.1589 8.1589 9.1401 9.1401 9.1404 9.1404 9.2082 9.2082 9.2110 9.2110 11.0393 11.0393 11.0436 11.0436 12.8530 12.8530 12.8556 12.8556 13.3135 13.3135 13.3145 13.3145 17.5313 17.5313 k =-0.1176 0.0679 0.3595 ( 1756 PWs) bands (ev): -1.4359 -1.4359 -1.4358 -1.4358 7.2975 7.2975 7.2979 7.2979 7.8695 7.8695 7.8705 7.8705 8.1712 8.1712 8.1739 8.1739 9.1343 9.1343 9.1345 9.1345 9.2112 9.2112 9.2142 9.2142 11.0623 11.0623 11.0668 11.0668 12.7564 12.7564 12.7594 12.7594 13.2667 13.2667 13.2677 13.2677 17.4844 17.4844 k =-0.1275 0.0736 0.3595 ( 1760 PWs) bands (ev): -1.4090 -1.4090 -1.4090 -1.4090 7.2308 7.2308 7.2311 7.2311 7.8678 7.8678 7.8688 7.8688 8.1852 8.1852 8.1879 8.1879 9.1282 9.1282 9.1283 9.1283 9.2144 9.2144 9.2176 9.2176 11.0839 11.0839 11.0887 11.0887 12.6612 12.6612 12.6645 12.6645 13.2182 13.2182 13.2192 13.2192 17.4290 17.4290 k =-0.1373 0.0792 0.3595 ( 1760 PWs) bands (ev): -1.3803 -1.3803 -1.3802 -1.3802 7.1618 7.1618 7.1620 7.1620 7.8659 7.8659 7.8670 7.8670 8.1983 8.1983 8.2010 8.2010 9.1218 9.1218 9.1218 9.1218 9.2181 9.2181 9.2214 9.2214 11.1028 11.1028 11.1079 11.1079 12.5691 12.5691 12.5727 12.5727 13.1682 13.1682 13.1693 13.1693 17.3688 17.3688 k =-0.1471 0.0849 0.3595 ( 1756 PWs) bands (ev): -1.3495 -1.3495 -1.3494 -1.3494 7.0906 7.0906 7.0907 7.0907 7.8639 7.8639 7.8651 7.8651 8.2106 8.2106 8.2132 8.2132 9.1152 9.1152 9.1153 9.1153 9.2221 9.2221 9.2256 9.2256 11.1179 11.1179 11.1232 11.1232 12.4823 12.4823 12.4862 12.4862 13.1169 13.1169 13.1181 13.1181 17.3063 17.3063 k =-0.1569 0.0906 0.3595 ( 1760 PWs) bands (ev): -1.3169 -1.3169 -1.3168 -1.3168 7.0171 7.0171 7.0171 7.0171 7.8616 7.8616 7.8628 7.8628 8.2219 8.2219 8.2246 8.2246 9.1083 9.1083 9.1085 9.1085 9.2266 9.2266 9.2301 9.2301 11.1273 11.1273 11.1328 11.1328 12.4027 12.4027 12.4068 12.4068 13.0646 13.0646 13.0658 13.0658 17.2431 17.2431 k =-0.1667 0.0962 0.3595 ( 1764 PWs) bands (ev): -1.2824 -1.2824 -1.2823 -1.2823 6.9416 6.9416 6.9416 6.9416 7.8592 7.8592 7.8604 7.8604 8.2324 8.2324 8.2351 8.2351 9.1011 9.1011 9.1016 9.1016 9.2314 9.2314 9.2351 9.2351 11.1296 11.1296 11.1351 11.1351 12.3326 12.3326 12.3369 12.3369 13.0115 13.0115 13.0127 13.0127 17.1805 17.1805 k =-0.1765 0.1019 0.3595 ( 1764 PWs) bands (ev): -1.2462 -1.2462 -1.2461 -1.2461 6.8641 6.8641 6.8642 6.8642 7.8565 7.8565 7.8578 7.8578 8.2421 8.2421 8.2448 8.2448 9.0940 9.0940 9.0947 9.0947 9.2368 9.2368 9.2405 9.2405 11.1228 11.1228 11.1282 11.1282 12.2742 12.2742 12.2785 12.2785 12.9578 12.9578 12.9591 12.9591 17.1191 17.1191 k =-0.1863 0.1075 0.3595 ( 1756 PWs) bands (ev): -1.2082 -1.2082 -1.2081 -1.2081 6.7848 6.7848 6.7850 6.7850 7.8537 7.8537 7.8550 7.8550 8.2509 8.2509 8.2536 8.2536 9.0871 9.0871 9.0879 9.0879 9.2427 9.2427 9.2465 9.2465 11.1057 11.1057 11.1109 11.1109 12.2290 12.2290 12.2333 12.2333 12.9038 12.9038 12.9051 12.9051 17.0595 17.0596 k =-0.1961 0.1132 0.3595 ( 1764 PWs) bands (ev): -1.1686 -1.1686 -1.1685 -1.1685 6.7038 6.7038 6.7040 6.7040 7.8505 7.8505 7.8519 7.8519 8.2588 8.2588 8.2614 8.2614 9.0801 9.0801 9.0812 9.0812 9.2490 9.2490 9.2529 9.2529 11.0775 11.0775 11.0823 11.0823 12.1981 12.1981 12.2020 12.2020 12.8496 12.8496 12.8509 12.8509 17.0021 17.0022 k =-0.2059 0.1189 0.3595 ( 1764 PWs) bands (ev): -1.1274 -1.1274 -1.1273 -1.1273 6.6212 6.6212 6.6215 6.6215 7.8473 7.8473 7.8486 7.8486 8.2657 8.2657 8.2684 8.2684 9.0734 9.0734 9.0747 9.0747 9.2559 9.2559 9.2597 9.2597 11.0386 11.0386 11.0429 11.0429 12.1811 12.1811 12.1848 12.1848 12.7954 12.7954 12.7968 12.7968 16.9472 16.9472 k =-0.2157 0.1245 0.3595 ( 1768 PWs) bands (ev): -1.0846 -1.0846 -1.0845 -1.0845 6.5372 6.5372 6.5375 6.5375 7.8438 7.8438 7.8452 7.8452 8.2716 8.2716 8.2743 8.2743 9.0670 9.0670 9.0686 9.0686 9.2632 9.2632 9.2671 9.2671 10.9901 10.9901 10.9938 10.9938 12.1772 12.1772 12.1804 12.1804 12.7415 12.7415 12.7428 12.7428 16.8950 16.8950 k =-0.2255 0.1302 0.3595 ( 1768 PWs) bands (ev): -1.0405 -1.0405 -1.0404 -1.0404 6.4520 6.4520 6.4522 6.4522 7.8402 7.8402 7.8416 7.8416 8.2765 8.2765 8.2791 8.2791 9.0611 9.0611 9.0629 9.0629 9.2710 9.2710 9.2749 9.2749 10.9336 10.9336 10.9367 10.9367 12.1845 12.1845 12.1872 12.1872 12.6880 12.6880 12.6894 12.6894 16.8456 16.8456 k =-0.2353 0.1358 0.3595 ( 1772 PWs) bands (ev): -0.9950 -0.9950 -0.9949 -0.9949 6.3656 6.3656 6.3659 6.3659 7.8363 7.8363 7.8377 7.8377 8.2802 8.2802 8.2829 8.2829 9.0558 9.0558 9.0578 9.0578 9.2793 9.2793 9.2832 9.2832 10.8713 10.8713 10.8737 10.8737 12.2010 12.2010 12.2033 12.2033 12.6352 12.6352 12.6366 12.6366 16.7991 16.7991 k =-0.2451 0.1415 0.3595 ( 1772 PWs) bands (ev): -0.9483 -0.9483 -0.9482 -0.9482 6.2784 6.2784 6.2787 6.2787 7.8324 7.8324 7.8338 7.8338 8.2827 8.2827 8.2854 8.2854 9.0513 9.0513 9.0535 9.0535 9.2882 9.2882 9.2920 9.2920 10.8049 10.8049 10.8067 10.8067 12.2247 12.2247 12.2266 12.2266 12.5834 12.5834 12.5848 12.5848 16.7557 16.7557 k =-0.2549 0.1472 0.3595 ( 1776 PWs) bands (ev): -0.9005 -0.9005 -0.9004 -0.9004 6.1904 6.1904 6.1907 6.1907 7.8283 7.8283 7.8297 7.8297 8.2841 8.2841 8.2867 8.2867 9.0474 9.0474 9.0499 9.0499 9.2974 9.2974 9.3012 9.3012 10.7361 10.7361 10.7373 10.7373 12.2535 12.2535 12.2550 12.2550 12.5332 12.5332 12.5345 12.5345 16.7154 16.7154 k =-0.2647 0.1528 0.3595 ( 1776 PWs) bands (ev): -0.8518 -0.8518 -0.8516 -0.8516 6.1019 6.1019 6.1022 6.1022 7.8240 7.8240 7.8254 7.8254 8.2843 8.2843 8.2868 8.2868 9.0446 9.0446 9.0473 9.0473 9.3071 9.3071 9.3108 9.3108 10.6662 10.6662 10.6669 10.6669 12.2848 12.2848 12.2861 12.2861 12.4857 12.4857 12.4870 12.4870 16.6782 16.6782 k =-0.2745 0.1585 0.3595 ( 1768 PWs) bands (ev): -0.8021 -0.8021 -0.8020 -0.8020 6.0131 6.0131 6.0134 6.0134 7.8197 7.8197 7.8211 7.8211 8.2832 8.2832 8.2857 8.2857 9.0430 9.0430 9.0459 9.0459 9.3173 9.3173 9.3210 9.3210 10.5963 10.5963 10.5965 10.5965 12.3139 12.3139 12.3150 12.3150 12.4449 12.4449 12.4460 12.4460 16.6442 16.6442 k =-0.2843 0.1641 0.3595 ( 1768 PWs) bands (ev): -0.7518 -0.7518 -0.7516 -0.7516 5.9242 5.9242 5.9245 5.9245 7.8153 7.8153 7.8166 7.8166 8.2808 8.2808 8.2833 8.2833 9.0424 9.0424 9.0455 9.0455 9.3278 9.3278 9.3314 9.3314 10.5268 10.5268 10.5271 10.5271 12.3253 12.3253 12.3266 12.3266 12.4252 12.4252 12.4259 12.4259 16.6135 16.6135 k =-0.2941 0.1698 0.3595 ( 1774 PWs) bands (ev): -0.7009 -0.7009 -0.7008 -0.7008 5.8355 5.8355 5.8358 5.8358 7.8108 7.8108 7.8121 7.8121 8.2772 8.2772 8.2795 8.2795 9.0430 9.0430 9.0462 9.0462 9.3384 9.3384 9.3419 9.3419 10.4585 10.4585 10.4592 10.4592 12.3028 12.3028 12.3043 12.3043 12.4422 12.4422 12.4426 12.4426 16.5859 16.5859 k =-0.3039 0.1755 0.3595 ( 1774 PWs) bands (ev): -0.6497 -0.6497 -0.6495 -0.6495 5.7473 5.7473 5.7475 5.7475 7.8063 7.8063 7.8076 7.8076 8.2724 8.2724 8.2747 8.2747 9.0448 9.0448 9.0482 9.0482 9.3494 9.3494 9.3528 9.3528 10.3921 10.3921 10.3931 10.3931 12.2643 12.2643 12.2659 12.2659 12.4777 12.4777 12.4778 12.4778 16.5615 16.5615 k =-0.3137 0.1811 0.3595 ( 1778 PWs) bands (ev): -0.5982 -0.5982 -0.5981 -0.5981 5.6598 5.6598 5.6601 5.6601 7.8018 7.8018 7.8030 7.8030 8.2664 8.2664 8.2686 8.2686 9.0480 9.0480 9.0514 9.0514 9.3605 9.3605 9.3639 9.3639 10.3279 10.3279 10.3292 10.3292 12.2223 12.2223 12.2238 12.2238 12.5185 12.5185 12.5185 12.5185 16.5403 16.5403 k =-0.3235 0.1868 0.3595 ( 1778 PWs) bands (ev): -0.5468 -0.5468 -0.5467 -0.5467 5.5734 5.5734 5.5736 5.5736 7.7973 7.7973 7.7984 7.7984 8.2595 8.2595 8.2616 8.2616 9.0524 9.0524 9.0560 9.0560 9.3719 9.3719 9.3751 9.3751 10.2660 10.2660 10.2676 10.2676 12.1800 12.1800 12.1815 12.1815 12.5610 12.5610 12.5611 12.5611 16.5223 16.5223 k =-0.3333 0.1924 0.3595 ( 1778 PWs) bands (ev): -0.4957 -0.4957 -0.4955 -0.4955 5.4884 5.4884 5.4886 5.4886 7.7928 7.7928 7.7939 7.7939 8.2517 8.2517 8.2537 8.2537 9.0581 9.0581 9.0618 9.0618 9.3833 9.3833 9.3864 9.3864 10.2067 10.2067 10.2086 10.2086 12.1386 12.1386 12.1400 12.1400 12.6040 12.6040 12.6042 12.6042 16.5073 16.5073 k =-0.3431 0.1981 0.3595 ( 1774 PWs) bands (ev): -0.4450 -0.4450 -0.4449 -0.4449 5.4052 5.4052 5.4053 5.4053 7.7884 7.7884 7.7895 7.7895 8.2432 8.2432 8.2451 8.2451 9.0652 9.0652 9.0688 9.0688 9.3947 9.3947 9.3976 9.3976 10.1501 10.1501 10.1522 10.1522 12.0984 12.0984 12.0998 12.0998 12.6466 12.6466 12.6469 12.6469 16.4954 16.4954 k =-0.3529 0.2038 0.3595 ( 1774 PWs) bands (ev): -0.3950 -0.3950 -0.3949 -0.3949 5.3240 5.3240 5.3241 5.3241 7.7841 7.7841 7.7852 7.7852 8.2341 8.2341 8.2359 8.2359 9.0734 9.0734 9.0771 9.0771 9.4059 9.4059 9.4088 9.4088 10.0961 10.0961 10.0983 10.0983 12.0598 12.0598 12.0611 12.0611 12.6885 12.6885 12.6888 12.6888 16.4864 16.4864 k =-0.3627 0.2094 0.3595 ( 1770 PWs) bands (ev): -0.3461 -0.3461 -0.3460 -0.3460 5.2453 5.2453 5.2454 5.2454 7.7801 7.7801 7.7810 7.7810 8.2246 8.2246 8.2262 8.2262 9.0826 9.0826 9.0863 9.0863 9.4171 9.4171 9.4198 9.4198 10.0449 10.0449 10.0473 10.0473 12.0229 12.0229 12.0242 12.0242 12.7292 12.7292 12.7295 12.7295 16.4802 16.4802 k =-0.3725 0.2151 0.3595 ( 1770 PWs) bands (ev): -0.2985 -0.2985 -0.2983 -0.2983 5.1694 5.1694 5.1695 5.1695 7.7761 7.7761 7.7770 7.7770 8.2148 8.2148 8.2163 8.2163 9.0928 9.0928 9.0965 9.0965 9.4279 9.4279 9.4304 9.4304 9.9964 9.9964 9.9990 9.9990 11.9879 11.9879 11.9891 11.9891 12.7683 12.7683 12.7687 12.7687 16.4766 16.4766 k =-0.3824 0.2208 0.3595 ( 1770 PWs) bands (ev): -0.2524 -0.2524 -0.2523 -0.2523 5.0968 5.0968 5.0969 5.0969 7.7722 7.7722 7.7731 7.7731 8.2050 8.2050 8.2063 8.2063 9.1038 9.1038 9.1075 9.1075 9.4383 9.4383 9.4407 9.4407 9.9508 9.9508 9.9535 9.9535 11.9549 11.9549 11.9560 11.9560 12.8056 12.8056 12.8061 12.8061 16.4754 16.4754 k =-0.3922 0.2264 0.3595 ( 1770 PWs) bands (ev): -0.2083 -0.2083 -0.2082 -0.2082 5.0279 5.0279 5.0280 5.0280 7.7686 7.7686 7.7694 7.7694 8.1952 8.1952 8.1964 8.1964 9.1156 9.1156 9.1192 9.1192 9.4482 9.4482 9.4504 9.4504 9.9080 9.9080 9.9107 9.9107 11.9240 11.9240 11.9251 11.9251 12.8409 12.8409 12.8413 12.8413 16.4765 16.4765 k =-0.4020 0.2321 0.3595 ( 1770 PWs) bands (ev): -0.1665 -0.1665 -0.1663 -0.1663 4.9630 4.9630 4.9631 4.9631 7.7653 7.7653 7.7660 7.7660 8.1857 8.1857 8.1868 8.1868 9.1280 9.1280 9.1315 9.1315 9.4576 9.4576 9.4596 9.4596 9.8680 9.8680 9.8707 9.8707 11.8954 11.8954 11.8964 11.8964 12.8739 12.8739 12.8743 12.8743 16.4795 16.4795 k =-0.4118 0.2377 0.3595 ( 1770 PWs) bands (ev): -0.1272 -0.1272 -0.1271 -0.1271 4.9027 4.9027 4.9028 4.9028 7.7621 7.7621 7.7628 7.7628 8.1766 8.1766 8.1776 8.1776 9.1408 9.1408 9.1442 9.1442 9.4661 9.4661 9.4680 9.4680 9.8310 9.8310 9.8337 9.8337 11.8692 11.8692 11.8701 11.8701 12.9044 12.9044 12.9048 12.9048 16.4840 16.4840 k =-0.4216 0.2434 0.3595 ( 1774 PWs) bands (ev): -0.0909 -0.0909 -0.0908 -0.0908 4.8474 4.8474 4.8474 4.8474 7.7593 7.7593 7.7599 7.7599 8.1681 8.1681 8.1690 8.1690 9.1537 9.1537 9.1570 9.1570 9.4738 9.4738 9.4755 9.4755 9.7969 9.7969 9.7996 9.7996 11.8454 11.8454 11.8462 11.8462 12.9321 12.9321 12.9325 12.9325 16.4899 16.4899 k =-0.4314 0.2491 0.3595 ( 1774 PWs) bands (ev): -0.0578 -0.0578 -0.0577 -0.0577 4.7973 4.7973 4.7974 4.7974 7.7566 7.7566 7.7572 7.7572 8.1603 8.1603 8.1610 8.1610 9.1667 9.1667 9.1698 9.1698 9.4806 9.4806 9.4820 9.4820 9.7662 9.7662 9.7687 9.7687 11.8241 11.8241 11.8249 11.8249 12.9570 12.9570 12.9574 12.9574 16.4964 16.4964 k =-0.4412 0.2547 0.3595 ( 1770 PWs) bands (ev): -0.0284 -0.0284 -0.0283 -0.0283 4.7531 4.7531 4.7531 4.7531 7.7544 7.7544 7.7549 7.7549 8.1533 8.1533 8.1539 8.1539 9.1794 9.1794 9.1822 9.1822 9.4864 9.4864 9.4876 9.4876 9.7389 9.7389 9.7412 9.7412 11.8056 11.8056 11.8062 11.8062 12.9789 12.9789 12.9792 12.9792 16.5035 16.5035 k =-0.4510 0.2604 0.3595 ( 1770 PWs) bands (ev): -0.0029 -0.0029 -0.0028 -0.0028 4.7149 4.7149 4.7149 4.7149 7.7525 7.7525 7.7529 7.7529 8.1472 8.1472 8.1477 8.1477 9.1913 9.1913 9.1938 9.1938 9.4910 9.4910 9.4919 9.4919 9.7151 9.7151 9.7172 9.7172 11.7897 11.7897 11.7903 11.7903 12.9977 12.9977 12.9979 12.9979 16.5104 16.5104 k =-0.4608 0.2660 0.3595 ( 1766 PWs) bands (ev): 0.0184 0.0184 0.0185 0.0185 4.6832 4.6832 4.6832 4.6832 7.7510 7.7510 7.7513 7.7513 8.1421 8.1421 8.1425 8.1425 9.2022 9.2022 9.2043 9.2043 9.4944 9.4944 9.4951 9.4951 9.6954 9.6954 9.6971 9.6971 11.7767 11.7767 11.7771 11.7771 13.0132 13.0132 13.0134 13.0134 16.5169 16.5169 k =-0.4706 0.2717 0.3595 ( 1778 PWs) bands (ev): 0.0353 0.0353 0.0353 0.0353 4.6582 4.6582 4.6582 4.6582 7.7497 7.7497 7.7499 7.7499 8.1380 8.1380 8.1383 8.1383 9.2113 9.2113 9.2130 9.2130 9.4966 9.4966 9.4971 9.4971 9.6796 9.6796 9.6810 9.6810 11.7664 11.7664 11.7668 11.7668 13.0253 13.0253 13.0254 13.0254 16.5224 16.5224 k =-0.4804 0.2774 0.3595 ( 1776 PWs) bands (ev): 0.0475 0.0475 0.0475 0.0475 4.6401 4.6401 4.6401 4.6401 7.7488 7.7488 7.7490 7.7490 8.1351 8.1351 8.1353 8.1353 9.2184 9.2184 9.2196 9.2196 9.4980 9.4980 9.4983 9.4983 9.6686 9.6686 9.6695 9.6695 11.7591 11.7591 11.7593 11.7593 13.0340 13.0340 13.0341 13.0341 16.5266 16.5266 k =-0.4902 0.2830 0.3595 ( 1780 PWs) bands (ev): 0.0549 0.0549 0.0549 0.0549 4.6293 4.6293 4.6293 4.6293 7.7483 7.7483 7.7483 7.7483 8.1333 8.1333 8.1334 8.1334 9.2230 9.2230 9.2237 9.2237 9.4986 9.4986 9.4988 9.4988 9.6620 9.6620 9.6625 9.6625 11.7547 11.7547 11.7548 11.7548 13.0393 13.0393 13.0393 13.0393 16.5293 16.5293 k =-0.5000 0.2887 0.3595 ( 1780 PWs) bands (ev): 0.0574 0.0574 0.0574 0.0574 4.6256 4.6256 4.6256 4.6256 7.7481 7.7481 7.7481 7.7481 8.1328 8.1328 8.1328 8.1328 9.2248 9.2248 9.2248 9.2248 9.4989 9.4989 9.4989 9.4989 9.6599 9.6599 9.6599 9.6599 11.7533 11.7533 11.7533 11.7533 13.0410 13.0410 13.0410 13.0410 16.5302 16.5302 Writing output data file NiAs.save init_run : 2.69s CPU 13.45s WALL ( 1 calls) electrons : 360.16s CPU 365.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.62s WALL ( 1 calls) Called by electrons: c_bands : 360.11s CPU 365.33s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.97s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.55s WALL ( 1 calls) newd : 0.23s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.05s WALL ( 474 calls) cegterg : 335.31s CPU 337.92s WALL ( 947 calls) Called by sum_band: Called by *egterg: h_psi : 126.78s CPU 134.72s WALL ( 16311 calls) s_psi : 15.13s CPU 15.70s WALL ( 16311 calls) g_psi : 0.24s CPU 0.30s WALL ( 14890 calls) cdiaghg : 149.02s CPU 145.41s WALL ( 15364 calls) cegterg:over : 28.57s CPU 25.81s WALL ( 14890 calls) cegterg:upda : 2.23s CPU 4.77s WALL ( 14890 calls) cegterg:last : 2.53s CPU 3.46s WALL ( 2443 calls) Called by h_psi: h_psi:vloc : 96.93s CPU 103.79s WALL ( 16311 calls) h_psi:vnl : 29.73s CPU 30.58s WALL ( 16311 calls) add_vuspsi : 7.88s CPU 11.47s WALL ( 16311 calls) General routines calbec : 21.82s CPU 18.94s WALL ( 16311 calls) fft : 0.28s CPU 1.45s WALL ( 19 calls) ffts : 0.02s CPU 0.10s WALL ( 4 calls) fftw : 93.54s CPU 99.20s WALL ( 1181720 calls) interpolate : 0.05s CPU 0.14s WALL ( 4 calls) davcio : 0.03s CPU 0.59s WALL ( 948 calls) Parallel routines fft_scatter : 68.52s CPU 68.06s WALL ( 1181743 calls) PWSCF : 6m42.37s CPU 8m 4.96s WALL This run was terminated on: 15: 0:40 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=