Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:40:56 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./ZrZnCu2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 25 7 853 520 84 Max 36 26 8 859 530 88 Sum 1285 931 283 30827 18907 3071 bravais-lattice index = 14 lattice parameter (alat) = 8.2580 a.u. unit-cell volume = 398.2006 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.257951 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Zr 4.00 91.22400 Zr( 1.00) Cu 11.00 63.54600 Cu( 1.00) Zn 12.00 65.40900 Zn( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0029412 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0029412 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0029412 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0029412 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0029412 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0029412 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0029412 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0029412 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0029412 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0029412 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0029412 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0029412 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0029412 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0029412 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0029412 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0029412 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0029412 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0029412 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0029412 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0029412 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0029412 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0029412 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0029412 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0029412 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0029412 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0029412 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0029412 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0029412 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0029412 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0029412 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0029412 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0029412 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0029412 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0029412 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0029412 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0029412 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0029412 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0029412 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0029412 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0029412 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0029412 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0029412 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0029412 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0029412 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0029412 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0029412 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0029412 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0029412 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0029412 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0029412 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029412 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029412 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0029412 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0029412 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0029412 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0029412 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0029412 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0029412 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0029412 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0029412 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0029412 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0029412 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0029412 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0029412 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0029412 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0029412 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0029412 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0029412 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0029412 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0029412 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0029412 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0029412 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0029412 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0029412 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0029412 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0029412 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0029412 k( 79) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029412 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029412 k( 81) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029412 k( 82) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029412 k( 83) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029412 k( 84) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029412 k( 85) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029412 k( 86) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029412 k( 87) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029412 k( 88) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029412 k( 89) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029412 k( 90) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029412 k( 91) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029412 k( 92) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029412 k( 93) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029412 k( 94) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029412 k( 95) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029412 k( 96) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029412 k( 97) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029412 k( 98) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029412 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029412 k( 100) = ( 0.3680556 0.2124970 0.6010322), wk = 0.0029412 k( 101) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0029412 k( 102) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0029412 k( 103) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0029412 k( 104) = ( 0.3402778 0.1964595 0.5556713), wk = 0.0029412 k( 105) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0029412 k( 106) = ( 0.3263889 0.1884407 0.5329908), wk = 0.0029412 k( 107) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0029412 k( 108) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0029412 k( 109) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0029412 k( 110) = ( 0.2986111 0.1724032 0.4876299), wk = 0.0029412 k( 111) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0029412 k( 112) = ( 0.2847222 0.1643845 0.4649494), wk = 0.0029412 k( 113) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0029412 k( 114) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0029412 k( 115) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0029412 k( 116) = ( 0.2569444 0.1483469 0.4195885), wk = 0.0029412 k( 117) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0029412 k( 118) = ( 0.2430556 0.1403282 0.3969081), wk = 0.0029412 k( 119) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0029412 k( 120) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0029412 k( 121) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0029412 k( 122) = ( 0.2152778 0.1242907 0.3515471), wk = 0.0029412 k( 123) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0029412 k( 124) = ( 0.2013889 0.1162719 0.3288667), wk = 0.0029412 k( 125) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0029412 k( 126) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0029412 k( 127) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0029412 k( 128) = ( 0.1736111 0.1002344 0.2835058), wk = 0.0029412 k( 129) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0029412 k( 130) = ( 0.1597222 0.0922157 0.2608253), wk = 0.0029412 k( 131) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0029412 k( 132) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0029412 k( 133) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0029412 k( 134) = ( 0.1319444 0.0761782 0.2154644), wk = 0.0029412 k( 135) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0029412 k( 136) = ( 0.1180556 0.0681594 0.1927839), wk = 0.0029412 k( 137) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0029412 k( 138) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0029412 k( 139) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0029412 k( 140) = ( 0.0902778 0.0521219 0.1474230), wk = 0.0029412 k( 141) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0029412 k( 142) = ( 0.0763889 0.0441031 0.1247425), wk = 0.0029412 k( 143) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0029412 k( 144) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0029412 k( 145) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0029412 k( 146) = ( 0.0486111 0.0280656 0.0793816), wk = 0.0029412 k( 147) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0029412 k( 148) = ( 0.0347222 0.0200469 0.0567011), wk = 0.0029412 k( 149) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0029412 k( 150) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0029412 k( 151) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0029412 k( 152) = ( 0.0069444 0.0040094 0.0113402), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 155) = ( 0.0111111 0.0064150 0.0045361), wk = 0.0029412 k( 156) = ( 0.0222222 0.0128300 0.0090722), wk = 0.0029412 k( 157) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0029412 k( 158) = ( 0.0444444 0.0256600 0.0181444), wk = 0.0029412 k( 159) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0029412 k( 160) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0029412 k( 161) = ( 0.0777778 0.0449050 0.0317526), wk = 0.0029412 k( 162) = ( 0.0888889 0.0513200 0.0362887), wk = 0.0029412 k( 163) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0029412 k( 164) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0029412 k( 165) = ( 0.1222222 0.0705650 0.0498970), wk = 0.0029412 k( 166) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0029412 k( 167) = ( 0.1444444 0.0833950 0.0589692), wk = 0.0029412 k( 168) = ( 0.1555556 0.0898100 0.0635053), wk = 0.0029412 k( 169) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0029412 k( 170) = ( 0.1777778 0.1026400 0.0725775), wk = 0.0029412 k( 171) = ( 0.1888889 0.1090551 0.0771136), wk = 0.0029412 k( 172) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0029412 k( 173) = ( 0.2111111 0.1218851 0.0861857), wk = 0.0029412 k( 174) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0029412 k( 175) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0029412 k( 176) = ( 0.2444444 0.1411301 0.0997940), wk = 0.0029412 k( 177) = ( 0.2555556 0.1475451 0.1043301), wk = 0.0029412 k( 178) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0029412 k( 179) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0029412 k( 180) = ( 0.2888889 0.1667901 0.1179384), wk = 0.0029412 k( 181) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0029412 k( 182) = ( 0.3111111 0.1796201 0.1270106), wk = 0.0029412 k( 183) = ( 0.3222222 0.1860351 0.1315467), wk = 0.0029412 k( 184) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0029412 k( 185) = ( 0.3444444 0.1988651 0.1406189), wk = 0.0029412 k( 186) = ( 0.3555556 0.2052801 0.1451549), wk = 0.0029412 k( 187) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0029412 k( 188) = ( 0.3777778 0.2181101 0.1542271), wk = 0.0029412 k( 189) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0029412 k( 190) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0029412 k( 191) = ( 0.4111111 0.2373551 0.1678354), wk = 0.0029412 k( 192) = ( 0.4222222 0.2437701 0.1723715), wk = 0.0029412 k( 193) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0029412 k( 194) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0029412 k( 195) = ( 0.4555556 0.2630151 0.1859798), wk = 0.0029412 k( 196) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0029412 k( 197) = ( 0.4777778 0.2758451 0.1950520), wk = 0.0029412 k( 198) = ( 0.4888889 0.2822601 0.1995881), wk = 0.0029412 k( 199) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029412 k( 200) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029412 k( 201) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0029412 k( 202) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0029412 k( 203) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0029412 k( 204) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0029412 k( 205) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0029412 k( 206) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0029412 k( 207) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0029412 k( 208) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0029412 k( 209) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0029412 k( 210) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0029412 k( 211) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0029412 k( 212) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0029412 k( 213) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0029412 k( 214) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0029412 k( 215) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0029412 k( 216) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0029412 k( 217) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0029412 k( 218) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0029412 k( 219) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0029412 k( 220) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0029412 k( 221) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0029412 k( 222) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0029412 k( 223) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0029412 k( 224) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0029412 k( 225) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0029412 k( 226) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0029412 k( 227) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0029412 k( 228) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0029412 k( 229) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0029412 k( 230) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0029412 k( 231) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0029412 k( 232) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029412 k( 233) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029412 k( 234) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029412 k( 235) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029412 k( 236) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029412 k( 237) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029412 k( 238) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029412 k( 239) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029412 k( 240) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029412 k( 241) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029412 k( 242) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029412 k( 243) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029412 k( 244) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029412 k( 245) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029412 k( 246) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029412 k( 247) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029412 k( 248) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029412 k( 249) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029412 k( 250) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029412 k( 251) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029412 k( 252) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029412 k( 253) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029412 k( 254) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029412 k( 255) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029412 k( 256) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029412 k( 257) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029412 k( 258) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029412 k( 259) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029412 k( 260) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029412 k( 261) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029412 k( 262) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029412 k( 263) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029412 k( 264) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029412 k( 265) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029412 k( 266) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029412 k( 267) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029412 k( 268) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029412 k( 269) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029412 k( 270) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029412 k( 271) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029412 k( 272) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029412 k( 273) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029412 k( 274) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029412 k( 275) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029412 k( 276) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029412 k( 277) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029412 k( 278) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029412 k( 279) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029412 k( 280) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029412 k( 281) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029412 k( 282) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029412 k( 283) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029412 k( 284) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029412 k( 285) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029412 k( 286) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029412 k( 287) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029412 k( 288) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029412 k( 289) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029412 k( 290) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0029412 k( 291) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0029412 k( 292) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0029412 k( 293) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0029412 k( 294) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0029412 k( 295) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0029412 k( 296) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0029412 k( 297) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0029412 k( 298) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0029412 k( 299) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0029412 k( 300) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0029412 k( 301) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0029412 k( 302) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0029412 k( 303) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0029412 k( 304) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0029412 k( 305) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0029412 k( 306) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0029412 k( 307) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0029412 k( 308) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0029412 k( 309) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0029412 k( 310) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0029412 k( 311) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0029412 k( 312) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0029412 k( 313) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0029412 k( 314) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0029412 k( 315) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0029412 k( 316) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0029412 k( 317) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0029412 k( 318) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0029412 k( 319) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0029412 k( 320) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0029412 k( 321) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029412 k( 322) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029412 k( 323) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029412 k( 324) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029412 k( 325) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029412 k( 326) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029412 k( 327) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029412 k( 328) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029412 k( 329) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029412 k( 330) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029412 k( 331) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029412 k( 332) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029412 k( 333) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029412 k( 334) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029412 k( 335) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029412 k( 336) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029412 k( 337) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029412 k( 338) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029412 k( 339) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029412 k( 340) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0098039 -0.0000000 0.0098039), wk = 0.0029412 k( 3) = ( 0.0196078 -0.0000000 0.0196078), wk = 0.0029412 k( 4) = ( 0.0294118 -0.0000000 0.0294118), wk = 0.0029412 k( 5) = ( 0.0392157 -0.0000000 0.0392157), wk = 0.0029412 k( 6) = ( 0.0490196 -0.0000000 0.0490196), wk = 0.0029412 k( 7) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0029412 k( 8) = ( 0.0686275 0.0000000 0.0686275), wk = 0.0029412 k( 9) = ( 0.0784314 -0.0000000 0.0784314), wk = 0.0029412 k( 10) = ( 0.0882353 0.0000000 0.0882353), wk = 0.0029412 k( 11) = ( 0.0980392 -0.0000000 0.0980392), wk = 0.0029412 k( 12) = ( 0.1078431 -0.0000000 0.1078431), wk = 0.0029412 k( 13) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0029412 k( 14) = ( 0.1274510 0.0000000 0.1274510), wk = 0.0029412 k( 15) = ( 0.1372549 0.0000000 0.1372549), wk = 0.0029412 k( 16) = ( 0.1470588 -0.0000000 0.1470588), wk = 0.0029412 k( 17) = ( 0.1568627 -0.0000000 0.1568627), wk = 0.0029412 k( 18) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0029412 k( 19) = ( 0.1764706 -0.0000000 0.1764706), wk = 0.0029412 k( 20) = ( 0.1862745 -0.0000000 0.1862745), wk = 0.0029412 k( 21) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0029412 k( 22) = ( 0.2058823 -0.0000000 0.2058823), wk = 0.0029412 k( 23) = ( 0.2156863 -0.0000000 0.2156863), wk = 0.0029412 k( 24) = ( 0.2254902 -0.0000000 0.2254902), wk = 0.0029412 k( 25) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0029412 k( 26) = ( 0.2450980 -0.0000000 0.2450980), wk = 0.0029412 k( 27) = ( 0.2549020 0.0000000 0.2549020), wk = 0.0029412 k( 28) = ( 0.2647059 -0.0000000 0.2647059), wk = 0.0029412 k( 29) = ( 0.2745098 0.0000000 0.2745098), wk = 0.0029412 k( 30) = ( 0.2843137 -0.0000000 0.2843137), wk = 0.0029412 k( 31) = ( 0.2941177 0.0000000 0.2941177), wk = 0.0029412 k( 32) = ( 0.3039216 -0.0000000 0.3039216), wk = 0.0029412 k( 33) = ( 0.3137255 -0.0000000 0.3137255), wk = 0.0029412 k( 34) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0029412 k( 35) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0029412 k( 36) = ( 0.3431373 0.0000000 0.3431372), wk = 0.0029412 k( 37) = ( 0.3529412 -0.0000000 0.3529412), wk = 0.0029412 k( 38) = ( 0.3627451 0.0000000 0.3627451), wk = 0.0029412 k( 39) = ( 0.3725490 -0.0000000 0.3725490), wk = 0.0029412 k( 40) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0029412 k( 41) = ( 0.3921569 -0.0000000 0.3921569), wk = 0.0029412 k( 42) = ( 0.4019608 -0.0000000 0.4019608), wk = 0.0029412 k( 43) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0029412 k( 44) = ( 0.4215686 0.0000000 0.4215686), wk = 0.0029412 k( 45) = ( 0.4313726 0.0000000 0.4313725), wk = 0.0029412 k( 46) = ( 0.4411765 0.0000000 0.4411765), wk = 0.0029412 k( 47) = ( 0.4509804 -0.0000000 0.4509804), wk = 0.0029412 k( 48) = ( 0.4607843 -0.0000000 0.4607843), wk = 0.0029412 k( 49) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0029412 k( 50) = ( 0.4803922 -0.0000000 0.4803922), wk = 0.0029412 k( 51) = ( 0.4901961 -0.0000000 0.4901961), wk = 0.0029412 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 54) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0029412 k( 55) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0029412 k( 56) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0029412 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0029412 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0029412 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0029412 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0029412 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0029412 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0029412 k( 63) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0029412 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0029412 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0029412 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0029412 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0029412 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0029412 k( 69) = ( 0.5000000 0.1538461 0.6538461), wk = 0.0029412 k( 70) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0029412 k( 71) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0029412 k( 72) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0029412 k( 73) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0029412 k( 74) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0029412 k( 75) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0029412 k( 76) = ( 0.5000000 0.2211538 0.7211538), wk = 0.0029412 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0029412 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0029412 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029412 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029412 k( 81) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029412 k( 82) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029412 k( 83) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029412 k( 84) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029412 k( 85) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029412 k( 86) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029412 k( 87) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029412 k( 88) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029412 k( 89) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029412 k( 90) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029412 k( 91) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029412 k( 92) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029412 k( 93) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029412 k( 94) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029412 k( 95) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029412 k( 96) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029412 k( 97) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029412 k( 98) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029412 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029412 k( 100) = ( 0.3680556 0.3680556 0.7361111), wk = 0.0029412 k( 101) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0029412 k( 102) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0029412 k( 103) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0029412 k( 104) = ( 0.3402778 0.3402778 0.6805556), wk = 0.0029412 k( 105) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0029412 k( 106) = ( 0.3263889 0.3263889 0.6527778), wk = 0.0029412 k( 107) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0029412 k( 108) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0029412 k( 109) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0029412 k( 110) = ( 0.2986111 0.2986111 0.5972222), wk = 0.0029412 k( 111) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0029412 k( 112) = ( 0.2847222 0.2847222 0.5694444), wk = 0.0029412 k( 113) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0029412 k( 114) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0029412 k( 115) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0029412 k( 116) = ( 0.2569444 0.2569444 0.5138889), wk = 0.0029412 k( 117) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029412 k( 118) = ( 0.2430556 0.2430556 0.4861111), wk = 0.0029412 k( 119) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0029412 k( 120) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0029412 k( 121) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0029412 k( 122) = ( 0.2152778 0.2152778 0.4305556), wk = 0.0029412 k( 123) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0029412 k( 124) = ( 0.2013889 0.2013889 0.4027778), wk = 0.0029412 k( 125) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0029412 k( 126) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0029412 k( 127) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0029412 k( 128) = ( 0.1736111 0.1736111 0.3472222), wk = 0.0029412 k( 129) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029412 k( 130) = ( 0.1597222 0.1597222 0.3194444), wk = 0.0029412 k( 131) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0029412 k( 132) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0029412 k( 133) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0029412 k( 134) = ( 0.1319444 0.1319444 0.2638889), wk = 0.0029412 k( 135) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0029412 k( 136) = ( 0.1180556 0.1180556 0.2361111), wk = 0.0029412 k( 137) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0029412 k( 138) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0029412 k( 139) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0029412 k( 140) = ( 0.0902778 0.0902778 0.1805556), wk = 0.0029412 k( 141) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0029412 k( 142) = ( 0.0763889 0.0763889 0.1527778), wk = 0.0029412 k( 143) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0029412 k( 144) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0029412 k( 145) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0029412 k( 146) = ( 0.0486111 0.0486111 0.0972222), wk = 0.0029412 k( 147) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0029412 k( 148) = ( 0.0347222 0.0347222 0.0694444), wk = 0.0029412 k( 149) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0029412 k( 150) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0029412 k( 151) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0029412 k( 152) = ( 0.0069444 0.0069444 0.0138889), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 155) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0029412 k( 156) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0029412 k( 157) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0029412 k( 158) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0029412 k( 159) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0029412 k( 160) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0029412 k( 161) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0029412 k( 162) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0029412 k( 163) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0029412 k( 164) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0029412 k( 165) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0029412 k( 166) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0029412 k( 167) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0029412 k( 168) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0029412 k( 169) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0029412 k( 170) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0029412 k( 171) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0029412 k( 172) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0029412 k( 173) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0029412 k( 174) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0029412 k( 175) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0029412 k( 176) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0029412 k( 177) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0029412 k( 178) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0029412 k( 179) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0029412 k( 180) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0029412 k( 181) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0029412 k( 182) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0029412 k( 183) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0029412 k( 184) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029412 k( 185) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0029412 k( 186) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0029412 k( 187) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0029412 k( 188) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0029412 k( 189) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0029412 k( 190) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0029412 k( 191) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0029412 k( 192) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0029412 k( 193) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0029412 k( 194) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0029412 k( 195) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0029412 k( 196) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0029412 k( 197) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0029412 k( 198) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0029412 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 201) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0029412 k( 202) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0029412 k( 203) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0029412 k( 204) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0029412 k( 205) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0029412 k( 206) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0029412 k( 207) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0029412 k( 208) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0029412 k( 209) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0029412 k( 210) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0029412 k( 211) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0029412 k( 212) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0029412 k( 213) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0029412 k( 214) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0029412 k( 215) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0029412 k( 216) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0029412 k( 217) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0029412 k( 218) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0029412 k( 219) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0029412 k( 220) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0029412 k( 221) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0029412 k( 222) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0029412 k( 223) = ( 0.5898438 0.3203125 0.5898437), wk = 0.0029412 k( 224) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0029412 k( 225) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0029412 k( 226) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0029412 k( 227) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0029412 k( 228) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0029412 k( 229) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0029412 k( 230) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0029412 k( 231) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0029412 k( 232) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029412 k( 233) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029412 k( 234) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029412 k( 235) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029412 k( 236) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029412 k( 237) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029412 k( 238) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029412 k( 239) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029412 k( 240) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029412 k( 241) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029412 k( 242) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029412 k( 243) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029412 k( 244) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029412 k( 245) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029412 k( 246) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029412 k( 247) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029412 k( 248) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029412 k( 249) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029412 k( 250) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029412 k( 251) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029412 k( 252) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029412 k( 253) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029412 k( 254) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029412 k( 255) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029412 k( 256) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029412 k( 257) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029412 k( 258) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029412 k( 259) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029412 k( 260) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029412 k( 261) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029412 k( 262) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029412 k( 263) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029412 k( 264) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029412 k( 265) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029412 k( 266) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029412 k( 267) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029412 k( 268) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029412 k( 269) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029412 k( 270) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029412 k( 271) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029412 k( 272) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029412 k( 273) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029412 k( 274) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029412 k( 275) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029412 k( 276) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029412 k( 277) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029412 k( 278) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029412 k( 279) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029412 k( 280) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029412 k( 281) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029412 k( 282) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029412 k( 283) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029412 k( 284) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029412 k( 285) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029412 k( 286) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029412 k( 287) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029412 k( 288) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 289) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029412 k( 290) = ( 0.4960938 0.4960937 0.5078125), wk = 0.0029412 k( 291) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0029412 k( 292) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0029412 k( 293) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0029412 k( 294) = ( 0.4804688 0.4804687 0.5390625), wk = 0.0029412 k( 295) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0029412 k( 296) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0029412 k( 297) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0029412 k( 298) = ( 0.4648438 0.4648437 0.5703125), wk = 0.0029412 k( 299) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0029412 k( 300) = ( 0.4570312 0.4570312 0.5859375), wk = 0.0029412 k( 301) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0029412 k( 302) = ( 0.4492188 0.4492187 0.6015625), wk = 0.0029412 k( 303) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0029412 k( 304) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0029412 k( 305) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0029412 k( 306) = ( 0.4335938 0.4335937 0.6328125), wk = 0.0029412 k( 307) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0029412 k( 308) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0029412 k( 309) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0029412 k( 310) = ( 0.4179688 0.4179687 0.6640625), wk = 0.0029412 k( 311) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0029412 k( 312) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0029412 k( 313) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0029412 k( 314) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0029412 k( 315) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0029412 k( 316) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0029412 k( 317) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0029412 k( 318) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0029412 k( 319) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0029412 k( 320) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0029412 k( 321) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029412 k( 322) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029412 k( 323) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029412 k( 324) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029412 k( 325) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029412 k( 326) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029412 k( 327) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029412 k( 328) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029412 k( 329) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029412 k( 330) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029412 k( 331) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029412 k( 332) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029412 k( 333) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029412 k( 334) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029412 k( 335) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029412 k( 336) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029412 k( 337) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029412 k( 338) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029412 k( 339) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029412 k( 340) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 Dense grid: 30827 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 18907 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 130, 46) NL pseudopotentials 0.12 Mb ( 65, 118) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 858) G-vector shells 0.00 Mb ( 254) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 130, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.17 Mb ( 118, 2, 46) The potential is recalculated from file : ./ZrZnCu2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.7 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.3 secs Computing kpt #: 14 total cpu time spent up to now is 7.6 secs Computing kpt #: 15 total cpu time spent up to now is 8.0 secs Computing kpt #: 16 total cpu time spent up to now is 8.4 secs Computing kpt #: 17 total cpu time spent up to now is 8.8 secs Computing kpt #: 18 total cpu time spent up to now is 9.1 secs Computing kpt #: 19 total cpu time spent up to now is 9.5 secs Computing kpt #: 20 total cpu time spent up to now is 9.8 secs Computing kpt #: 21 total cpu time spent up to now is 10.2 secs Computing kpt #: 22 total cpu time spent up to now is 10.6 secs Computing kpt #: 23 total cpu time spent up to now is 11.0 secs Computing kpt #: 24 total cpu time spent up to now is 11.4 secs Computing kpt #: 25 total cpu time spent up to now is 11.7 secs Computing kpt #: 26 total cpu time spent up to now is 12.0 secs Computing kpt #: 27 total cpu time spent up to now is 12.4 secs Computing kpt #: 28 total cpu time spent up to now is 12.7 secs Computing kpt #: 29 total cpu time spent up to now is 13.0 secs Computing kpt #: 30 total cpu time spent up to now is 13.3 secs Computing kpt #: 31 total cpu time spent up to now is 13.6 secs Computing kpt #: 32 total cpu time spent up to now is 13.9 secs Computing kpt #: 33 total cpu time spent up to now is 14.2 secs Computing kpt #: 34 total cpu time spent up to now is 14.5 secs Computing kpt #: 35 total cpu time spent up to now is 14.8 secs Computing kpt #: 36 total cpu time spent up to now is 15.1 secs Computing kpt #: 37 total cpu time spent up to now is 15.4 secs Computing kpt #: 38 total cpu time spent up to now is 15.7 secs Computing kpt #: 39 total cpu time spent up to now is 16.0 secs Computing kpt #: 40 total cpu time spent up to now is 16.3 secs Computing kpt #: 41 total cpu time spent up to now is 16.5 secs Computing kpt #: 42 total cpu time spent up to now is 16.8 secs Computing kpt #: 43 total cpu time spent up to now is 17.1 secs Computing kpt #: 44 total cpu time spent up to now is 17.4 secs Computing kpt #: 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Computing kpt #: 92 total cpu time spent up to now is 30.7 secs Computing kpt #: 93 total cpu time spent up to now is 31.0 secs Computing kpt #: 94 total cpu time spent up to now is 31.4 secs Computing kpt #: 95 total cpu time spent up to now is 31.7 secs Computing kpt #: 96 total cpu time spent up to now is 32.0 secs Computing kpt #: 97 total cpu time spent up to now is 32.4 secs Computing kpt #: 98 total cpu time spent up to now is 32.7 secs Computing kpt #: 99 total cpu time spent up to now is 33.0 secs Computing kpt #: 100 total cpu time spent up to now is 33.3 secs Computing kpt #: 101 total cpu time spent up to now is 33.6 secs Computing kpt #: 102 total cpu time spent up to now is 33.9 secs Computing kpt #: 103 total cpu time spent up to now is 34.2 secs Computing kpt #: 104 total cpu time spent up to now is 34.5 secs Computing kpt #: 105 total cpu time spent up to now is 34.8 secs Computing kpt #: 106 total cpu time spent up to now is 35.1 secs Computing kpt #: 107 total cpu 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39.8 secs Computing kpt #: 123 total cpu time spent up to now is 40.1 secs Computing kpt #: 124 total cpu time spent up to now is 40.4 secs Computing kpt #: 125 total cpu time spent up to now is 40.8 secs Computing kpt #: 126 total cpu time spent up to now is 41.1 secs Computing kpt #: 127 total cpu time spent up to now is 41.4 secs Computing kpt #: 128 total cpu time spent up to now is 41.7 secs Computing kpt #: 129 total cpu time spent up to now is 42.0 secs Computing kpt #: 130 total cpu time spent up to now is 42.3 secs Computing kpt #: 131 total cpu time spent up to now is 42.6 secs Computing kpt #: 132 total cpu time spent up to now is 42.9 secs Computing kpt #: 133 total cpu time spent up to now is 43.2 secs Computing kpt #: 134 total cpu time spent up to now is 43.5 secs Computing kpt #: 135 total cpu time spent up to now is 43.8 secs Computing kpt #: 136 total cpu time spent up to now is 44.2 secs Computing kpt #: 137 total cpu time spent up to now is 44.5 secs Computing kpt 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spent up to now is 50.1 secs Computing kpt #: 154 total cpu time spent up to now is 50.5 secs Computing kpt #: 155 total cpu time spent up to now is 50.9 secs Computing kpt #: 156 total cpu time spent up to now is 51.3 secs Computing kpt #: 157 total cpu time spent up to now is 51.6 secs Computing kpt #: 158 total cpu time spent up to now is 52.0 secs Computing kpt #: 159 total cpu time spent up to now is 52.4 secs Computing kpt #: 160 total cpu time spent up to now is 52.8 secs Computing kpt #: 161 total cpu time spent up to now is 53.2 secs Computing kpt #: 162 total cpu time spent up to now is 53.5 secs Computing kpt #: 163 total cpu time spent up to now is 53.9 secs Computing kpt #: 164 total cpu time spent up to now is 54.4 secs Computing kpt #: 165 total cpu time spent up to now is 55.0 secs Computing kpt #: 166 total cpu time spent up to now is 55.6 secs Computing kpt #: 167 total cpu time spent up to now is 56.0 secs Computing kpt #: 168 total cpu time spent up to now is 56.6 secs Computing kpt #: 169 total cpu time spent up to now is 57.0 secs Computing kpt #: 170 total cpu time spent up to now is 57.3 secs Computing kpt #: 171 total cpu time spent up to now is 57.7 secs Computing kpt #: 172 total cpu time spent up to now is 58.0 secs Computing kpt #: 173 total cpu time spent up to now is 58.3 secs Computing kpt #: 174 total cpu time spent up to now is 58.6 secs Computing kpt #: 175 total cpu time spent up to now is 58.9 secs Computing kpt #: 176 total cpu time spent up to now is 59.3 secs Computing kpt #: 177 total cpu time spent up to now is 59.6 secs Computing kpt #: 178 total cpu time spent up to now is 59.9 secs Computing kpt #: 179 total cpu time spent up to now is 60.2 secs Computing kpt #: 180 total cpu time spent up to now is 60.5 secs Computing kpt #: 181 total cpu time spent up to now is 60.8 secs Computing kpt #: 182 total cpu time spent up to now is 61.0 secs Computing kpt #: 183 total cpu time spent up to now is 61.3 secs Computing kpt #: 184 total cpu time spent up to now is 61.6 secs Computing kpt #: 185 total cpu time spent up to now is 61.9 secs Computing kpt #: 186 total cpu time spent up to now is 62.2 secs Computing kpt #: 187 total cpu time spent up to now is 62.5 secs Computing kpt #: 188 total cpu time spent up to now is 62.7 secs Computing kpt #: 189 total cpu time spent up to now is 63.0 secs Computing kpt #: 190 total cpu time spent up to now is 63.3 secs Computing kpt #: 191 total cpu time spent up to now is 63.6 secs Computing kpt #: 192 total cpu time spent up to now is 63.8 secs Computing kpt #: 193 total cpu time spent up to now is 64.1 secs Computing kpt #: 194 total cpu time spent up to now is 64.4 secs Computing kpt #: 195 total cpu time spent up to now is 64.6 secs Computing kpt #: 196 total cpu time spent up to now is 64.9 secs Computing kpt #: 197 total cpu time spent up to now is 65.2 secs Computing kpt #: 198 total cpu time spent up to now is 65.5 secs Computing kpt #: 199 total cpu time spent up to now is 65.7 secs Computing kpt #: 200 total cpu time spent up to now is 66.0 secs Computing kpt #: 201 total cpu time spent up to now is 66.2 secs Computing kpt #: 202 total cpu time spent up to now is 66.5 secs Computing kpt #: 203 total cpu time spent up to now is 66.8 secs Computing kpt #: 204 total cpu time spent up to now is 67.1 secs Computing kpt #: 205 total cpu time spent up to now is 67.4 secs Computing kpt #: 206 total cpu time spent up to now is 67.6 secs Computing kpt #: 207 total cpu time spent up to now is 67.9 secs Computing kpt #: 208 total cpu time spent up to now is 68.2 secs Computing kpt #: 209 total cpu time spent up to now is 68.5 secs Computing kpt #: 210 total cpu time spent up to now is 68.8 secs Computing kpt #: 211 total cpu time spent up to now is 69.2 secs Computing kpt #: 212 total cpu time spent up to now is 69.5 secs Computing kpt #: 213 total cpu time spent up to now is 69.8 secs Computing kpt #: 214 total cpu time spent up to now is 70.1 secs Computing kpt #: 215 total cpu time spent up to now is 70.4 secs Computing kpt #: 216 total cpu time spent up to now is 70.7 secs Computing kpt #: 217 total cpu time spent up to now is 71.1 secs Computing kpt #: 218 total cpu time spent up to now is 71.4 secs Computing kpt #: 219 total cpu time spent up to now is 71.7 secs Computing kpt #: 220 total cpu time spent up to now is 72.0 secs Computing kpt #: 221 total cpu time spent up to now is 72.3 secs Computing kpt #: 222 total cpu time spent up to now is 72.6 secs Computing kpt #: 223 total cpu time spent up to now is 72.9 secs Computing kpt #: 224 total cpu time spent up to now is 73.2 secs Computing kpt #: 225 total cpu time spent up to now is 73.6 secs Computing kpt #: 226 total cpu time spent up to now is 73.9 secs Computing kpt #: 227 total cpu time spent up to now is 74.2 secs Computing kpt #: 228 total cpu time spent up to now is 74.5 secs Computing kpt #: 229 total cpu time spent up to now is 74.8 secs Computing kpt #: 230 total cpu time spent up to now is 75.1 secs Computing kpt #: 231 total cpu time spent up to now is 75.5 secs Computing kpt #: 232 total cpu time spent up to now is 75.8 secs Computing kpt #: 233 total cpu time spent up to now is 76.1 secs Computing kpt #: 234 total cpu time spent up to now is 76.5 secs Computing kpt #: 235 total cpu time spent up to now is 76.8 secs Computing kpt #: 236 total cpu time spent up to now is 77.1 secs Computing kpt #: 237 total cpu time spent up to now is 77.4 secs Computing kpt #: 238 total cpu time spent up to now is 77.8 secs Computing kpt #: 239 total cpu time spent up to now is 78.1 secs Computing kpt #: 240 total cpu time spent up to now is 78.4 secs Computing kpt #: 241 total cpu time spent up to now is 78.7 secs Computing kpt #: 242 total cpu time spent up to now is 79.0 secs Computing kpt #: 243 total cpu time spent up to now is 79.3 secs Computing kpt #: 244 total cpu time spent up to now is 79.6 secs Computing kpt #: 245 total cpu time spent up to now is 79.9 secs Computing kpt #: 246 total cpu time spent up to now is 80.2 secs Computing kpt #: 247 total cpu time spent up to now is 80.5 secs Computing kpt #: 248 total cpu time spent up to now is 80.8 secs Computing kpt #: 249 total cpu time spent up to now is 81.0 secs Computing kpt #: 250 total cpu time spent up to now is 81.3 secs Computing kpt #: 251 total cpu time spent up to now is 81.6 secs Computing kpt #: 252 total cpu time spent up to now is 81.8 secs Computing kpt #: 253 total cpu time spent up to now is 82.1 secs Computing kpt #: 254 total cpu time spent up to now is 82.4 secs Computing kpt #: 255 total cpu time spent up to now is 82.6 secs Computing kpt #: 256 total cpu time spent up to now is 82.9 secs Computing kpt #: 257 total cpu time spent up to now is 83.2 secs Computing kpt #: 258 total cpu time spent up to now is 83.5 secs Computing kpt #: 259 total cpu time spent up to now is 83.8 secs Computing kpt #: 260 total cpu time spent up to now is 84.1 secs Computing kpt #: 261 total cpu time spent up to now is 84.4 secs Computing kpt #: 262 total cpu time spent up to now is 84.7 secs Computing kpt #: 263 total cpu time spent up to now is 85.0 secs Computing kpt #: 264 total cpu time spent up to now is 85.3 secs Computing kpt #: 265 total cpu time spent up to now is 85.6 secs Computing kpt #: 266 total cpu time spent up to now is 85.9 secs Computing kpt #: 267 total cpu time spent up to now is 86.2 secs Computing kpt #: 268 total cpu time spent up to now is 86.5 secs Computing kpt #: 269 total cpu time spent up to now is 86.8 secs Computing kpt #: 270 total cpu time spent up to now is 87.1 secs Computing kpt #: 271 total cpu time spent up to now is 87.5 secs Computing kpt #: 272 total cpu time spent up to now is 87.8 secs Computing kpt #: 273 total cpu time spent up to now is 88.1 secs Computing kpt #: 274 total cpu time spent up to now is 88.4 secs Computing kpt #: 275 total cpu time spent up to now is 88.7 secs Computing kpt #: 276 total cpu time spent up to now is 89.1 secs Computing kpt #: 277 total cpu time spent up to now is 89.4 secs Computing kpt #: 278 total cpu time spent up to now is 89.7 secs Computing kpt #: 279 total cpu time spent up to now is 90.0 secs Computing kpt #: 280 total cpu time spent up to now is 90.3 secs Computing kpt #: 281 total cpu time spent up to now is 90.6 secs Computing kpt #: 282 total cpu time spent up to now is 90.9 secs Computing kpt #: 283 total cpu time spent up to now is 91.1 secs Computing kpt #: 284 total cpu time spent up to now is 91.4 secs Computing kpt #: 285 total cpu time spent up to now is 91.7 secs Computing kpt #: 286 total cpu time spent up to now is 92.0 secs Computing kpt #: 287 total cpu time spent up to now is 92.2 secs Computing kpt #: 288 total cpu time spent up to now is 92.5 secs Computing kpt #: 289 total cpu time spent up to now is 92.7 secs Computing kpt #: 290 total cpu time spent up to now is 93.0 secs Computing kpt #: 291 total cpu time spent up to now is 93.3 secs Computing kpt #: 292 total cpu time spent up to now is 93.6 secs Computing kpt #: 293 total cpu time spent up to now is 93.8 secs Computing kpt #: 294 total cpu time spent up to now is 94.1 secs Computing kpt #: 295 total cpu time spent up to now is 94.4 secs Computing kpt #: 296 total cpu time spent up to now is 94.7 secs Computing kpt #: 297 total cpu time spent up to now is 95.0 secs Computing kpt #: 298 total cpu time spent up to now is 95.3 secs Computing kpt #: 299 total cpu time spent up to now is 95.6 secs Computing kpt #: 300 total cpu time spent up to now is 95.9 secs Computing kpt #: 301 total cpu time spent up to now is 96.2 secs Computing kpt #: 302 total cpu time spent up to now is 96.5 secs Computing kpt #: 303 total cpu time spent up to now is 96.9 secs Computing kpt #: 304 total cpu time spent up to now is 97.2 secs Computing kpt #: 305 total cpu time spent up to now is 97.5 secs Computing kpt #: 306 total cpu time spent up to now is 97.8 secs Computing kpt #: 307 total cpu time spent up to now is 98.1 secs Computing kpt #: 308 total cpu time spent up to now is 98.4 secs Computing kpt #: 309 total cpu time spent up to now is 98.8 secs Computing kpt #: 310 total cpu time spent up to now is 99.1 secs Computing kpt #: 311 total cpu time spent up to now is 99.4 secs Computing kpt #: 312 total cpu time spent up to now is 99.7 secs Computing kpt #: 313 total cpu time spent up to now is 100.0 secs Computing kpt #: 314 total cpu time spent up to now is 100.3 secs Computing kpt #: 315 total cpu time spent up to now is 100.6 secs Computing kpt #: 316 total cpu time spent up to now is 100.9 secs Computing kpt #: 317 total cpu time spent up to now is 101.2 secs Computing kpt #: 318 total cpu time spent up to now is 101.5 secs Computing kpt #: 319 total cpu time spent up to now is 101.9 secs Computing kpt #: 320 total cpu time spent up to now is 102.2 secs Computing kpt #: 321 total cpu time spent up to now is 102.5 secs Computing kpt #: 322 total cpu time spent up to now is 102.9 secs Computing kpt #: 323 total cpu time spent up to now is 103.2 secs Computing kpt #: 324 total cpu time spent up to now is 103.5 secs Computing kpt #: 325 total cpu time spent up to now is 103.9 secs Computing kpt #: 326 total cpu time spent up to now is 104.2 secs Computing kpt #: 327 total cpu time spent up to now is 104.5 secs Computing kpt #: 328 total cpu time spent up to now is 104.7 secs Computing kpt #: 329 total cpu time spent up to now is 105.0 secs Computing kpt #: 330 total cpu time spent up to now is 105.3 secs Computing kpt #: 331 total cpu time spent up to now is 105.6 secs Computing kpt #: 332 total cpu time spent up to now is 105.8 secs Computing kpt #: 333 total cpu time spent up to now is 106.1 secs Computing kpt #: 334 total cpu time spent up to now is 106.4 secs Computing kpt #: 335 total cpu time spent up to now is 106.7 secs Computing kpt #: 336 total cpu time spent up to now is 106.9 secs Computing kpt #: 337 total cpu time spent up to now is 107.2 secs Computing kpt #: 338 total cpu time spent up to now is 107.4 secs Computing kpt #: 339 total cpu time spent up to now is 107.7 secs Computing kpt #: 340 total cpu time spent up to now is 107.9 secs ethr = 2.63E-08, avg # of iterations = 15.7 total cpu time spent up to now is 107.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2421 PWs) bands (ev): 2.5459 2.5459 4.1231 4.1231 4.1231 4.1231 4.4466 4.4466 4.4466 4.4466 4.4641 4.4641 7.4614 7.4614 7.4614 7.4614 7.5374 7.5374 7.5374 7.5374 7.6498 7.6498 8.1882 8.1882 8.1882 8.1882 8.3250 8.3250 8.7538 8.7538 8.7538 8.7538 10.6507 10.6507 10.6507 10.6507 10.6615 10.6615 13.2711 13.2711 13.2711 13.2711 15.6538 15.6538 15.8055 15.8055 k = 0.0098-0.0057 0.0080 ( 2421 PWs) bands (ev): 2.5477 2.5477 4.1231 4.1231 4.1232 4.1232 4.4466 4.4466 4.4467 4.4467 4.4642 4.4642 7.4584 7.4584 7.4616 7.4616 7.5376 7.5376 7.5397 7.5397 7.6500 7.6500 8.1881 8.1881 8.1884 8.1884 8.3251 8.3251 8.7526 8.7526 8.7537 8.7537 10.6494 10.6494 10.6495 10.6495 10.6603 10.6603 13.2644 13.2644 13.2709 13.2709 15.6546 15.6546 15.8027 15.8027 k = 0.0196-0.0113 0.0160 ( 2417 PWs) bands (ev): 2.5529 2.5529 4.1232 4.1232 4.1237 4.1237 4.4468 4.4468 4.4473 4.4473 4.4643 4.4643 7.4502 7.4502 7.4622 7.4622 7.5384 7.5384 7.5458 7.5458 7.6508 7.6508 8.1878 8.1878 8.1892 8.1892 8.3254 8.3254 8.7492 8.7492 8.7537 8.7537 10.6454 10.6454 10.6457 10.6457 10.6565 10.6565 13.2445 13.2445 13.2704 13.2704 15.6564 15.6564 15.7957 15.7957 k = 0.0294-0.0170 0.0240 ( 2417 PWs) bands (ev): 2.5617 2.5617 4.1233 4.1233 4.1245 4.1245 4.4470 4.4470 4.4482 4.4482 4.4645 4.4645 7.4383 7.4383 7.4632 7.4632 7.5398 7.5398 7.5542 7.5542 7.6520 7.6520 8.1873 8.1873 8.1904 8.1904 8.3257 8.3257 8.7434 8.7434 8.7536 8.7536 10.6389 10.6389 10.6395 10.6395 10.6504 10.6504 13.2118 13.2118 13.2695 13.2695 15.6571 15.6571 15.7885 15.7885 k = 0.0392-0.0226 0.0320 ( 2405 PWs) bands (ev): 2.5740 2.5740 4.1235 4.1235 4.1256 4.1256 4.4473 4.4473 4.4496 4.4496 4.4649 4.4649 7.4239 7.4239 7.4645 7.4645 7.5416 7.5416 7.5636 7.5636 7.6538 7.6538 8.1866 8.1866 8.1921 8.1921 8.3264 8.3264 8.7357 8.7357 8.7534 8.7534 10.6300 10.6300 10.6310 10.6310 10.6420 10.6420 13.1670 13.1670 13.2682 13.2682 15.6538 15.6538 15.7864 15.7864 k = 0.0490-0.0283 0.0400 ( 2385 PWs) bands (ev): 2.5897 2.5897 4.1237 4.1237 4.1272 4.1272 4.4477 4.4477 4.4514 4.4514 4.4656 4.4656 7.4076 7.4076 7.4663 7.4663 7.5443 7.5443 7.5737 7.5737 7.6563 7.6563 8.1854 8.1854 8.1943 8.1943 8.3270 8.3270 8.7260 8.7260 8.7533 8.7533 10.6187 10.6187 10.6202 10.6202 10.6315 10.6315 13.1112 13.1112 13.2666 13.2666 15.6449 15.6449 15.7932 15.7932 k = 0.0588-0.0340 0.0480 ( 2385 PWs) bands (ev): 2.6089 2.6089 4.1239 4.1239 4.1288 4.1288 4.4479 4.4479 4.4533 4.4533 4.4662 4.4662 7.3897 7.3897 7.4684 7.4684 7.5472 7.5472 7.5839 7.5839 7.6591 7.6591 8.1838 8.1838 8.1968 8.1968 8.3279 8.3279 8.7141 8.7141 8.7531 8.7531 10.6054 10.6054 10.6074 10.6074 10.6189 10.6189 13.0453 13.0453 13.2646 13.2646 15.6318 15.6318 15.8090 15.8090 k = 0.0686-0.0396 0.0560 ( 2381 PWs) bands (ev): 2.6316 2.6316 4.1242 4.1242 4.1307 4.1307 4.4481 4.4481 4.4555 4.4555 4.4672 4.4672 7.3703 7.3703 7.4709 7.4709 7.5507 7.5507 7.5941 7.5941 7.6625 7.6625 8.1816 8.1816 8.1998 8.1998 8.3288 8.3288 8.7005 8.7005 8.7530 8.7530 10.5902 10.5902 10.5928 10.5928 10.6046 10.6046 12.9706 12.9706 13.2623 13.2623 15.6175 15.6175 15.8317 15.8317 k = 0.0784-0.0453 0.0640 ( 2381 PWs) bands (ev): 2.6576 2.6576 4.1244 4.1244 4.1329 4.1329 4.4482 4.4482 4.4581 4.4581 4.4684 4.4684 7.3496 7.3496 7.4737 7.4737 7.5545 7.5545 7.6041 7.6041 7.6665 7.6665 8.1787 8.1787 8.2032 8.2032 8.3300 8.3300 8.6854 8.6854 8.7527 8.7527 10.5735 10.5735 10.5765 10.5765 10.5887 10.5887 12.8884 12.8884 13.2596 13.2596 15.6043 15.6043 15.8591 15.8591 k = 0.0882-0.0509 0.0720 ( 2373 PWs) bands (ev): 2.6871 2.6871 4.1246 4.1246 4.1353 4.1353 4.4482 4.4482 4.4610 4.4610 4.4700 4.4700 7.3277 7.3277 7.4770 7.4770 7.5589 7.5589 7.6141 7.6141 7.6711 7.6711 8.1750 8.1750 8.2069 8.2069 8.3313 8.3313 8.6691 8.6691 8.7524 8.7524 10.5554 10.5554 10.5588 10.5588 10.5714 10.5714 12.7999 12.7999 13.2566 13.2566 15.5938 15.5938 15.8892 15.8892 k = 0.0980-0.0566 0.0800 ( 2373 PWs) bands (ev): 2.7199 2.7199 4.1247 4.1247 4.1379 4.1379 4.4479 4.4479 4.4641 4.4641 4.4718 4.4718 7.3044 7.3044 7.4805 7.4805 7.5636 7.5636 7.6237 7.6237 7.6764 7.6764 8.1702 8.1702 8.2111 8.2111 8.3327 8.3327 8.6518 8.6518 8.7520 8.7520 10.5362 10.5362 10.5400 10.5400 10.5531 10.5531 12.7063 12.7063 13.2533 13.2533 15.5865 15.5865 15.9204 15.9204 k = 0.1078-0.0623 0.0881 ( 2373 PWs) bands (ev): 2.7560 2.7560 4.1248 4.1248 4.1407 4.1407 4.4475 4.4475 4.4674 4.4674 4.4739 4.4739 7.2800 7.2800 7.4844 7.4844 7.5687 7.5687 7.6332 7.6332 7.6823 7.6823 8.1640 8.1640 8.2155 8.2155 8.3343 8.3343 8.6339 8.6339 8.7516 8.7516 10.5162 10.5162 10.5203 10.5203 10.5339 10.5339 12.6087 12.6087 13.2497 13.2497 15.5827 15.5827 15.9509 15.9509 k = 0.1176-0.0679 0.0961 ( 2365 PWs) bands (ev): 2.7953 2.7953 4.1249 4.1249 4.1438 4.1438 4.4470 4.4470 4.4710 4.4710 4.4764 4.4764 7.2544 7.2544 7.4887 7.4887 7.5741 7.5741 7.6423 7.6423 7.6890 7.6890 8.1564 8.1564 8.2203 8.2203 8.3361 8.3361 8.6158 8.6158 8.7512 8.7512 10.4957 10.4957 10.5001 10.5001 10.5142 10.5142 12.5079 12.5079 13.2457 13.2457 15.5826 15.5826 15.9789 15.9789 k = 0.1275-0.0736 0.1041 ( 2373 PWs) bands (ev): 2.8379 2.8379 4.1249 4.1249 4.1469 4.1469 4.4464 4.4464 4.4747 4.4747 4.4790 4.4790 7.2277 7.2277 7.4933 7.4933 7.5799 7.5799 7.6511 7.6511 7.6964 7.6964 8.1470 8.1470 8.2252 8.2252 8.3378 8.3378 8.5976 8.5976 8.7508 8.7508 10.4748 10.4748 10.4795 10.4795 10.4942 10.4942 12.4049 12.4049 13.2414 13.2414 15.5861 15.5861 16.0027 16.0027 k = 0.1373-0.0792 0.1121 ( 2373 PWs) bands (ev): 2.8836 2.8836 4.1247 4.1247 4.1502 4.1502 4.4457 4.4457 4.4786 4.4786 4.4818 4.4818 7.1999 7.1999 7.4982 7.4982 7.5860 7.5860 7.6595 7.6595 7.7046 7.7046 8.1356 8.1356 8.2303 8.2303 8.3396 8.3396 8.5803 8.5803 8.7503 8.7503 10.4538 10.4538 10.4590 10.4590 10.4741 10.4741 12.3005 12.3005 13.2369 13.2369 15.5929 15.5929 16.0202 16.0202 k = 0.1471-0.0849 0.1201 ( 2369 PWs) bands (ev): 2.9324 2.9324 4.1245 4.1245 4.1537 4.1537 4.4451 4.4451 4.4827 4.4827 4.4849 4.4849 7.1712 7.1712 7.5035 7.5035 7.5923 7.5923 7.6677 7.6677 7.7135 7.7135 8.1220 8.1220 8.2356 8.2356 8.3415 8.3415 8.5639 8.5639 8.7498 8.7498 10.4328 10.4328 10.4387 10.4387 10.4543 10.4543 12.1951 12.1951 13.2320 13.2320 15.6028 15.6028 16.0293 16.0293 k = 0.1569-0.0906 0.1281 ( 2373 PWs) bands (ev): 2.9843 2.9843 4.1241 4.1241 4.1572 4.1572 4.4443 4.4443 4.4868 4.4868 4.4881 4.4881 7.1414 7.1414 7.5090 7.5090 7.5989 7.5989 7.6756 7.6756 7.7229 7.7229 8.1060 8.1060 8.2407 8.2407 8.3432 8.3432 8.5488 8.5488 8.7493 8.7493 10.4121 10.4121 10.4189 10.4189 10.4350 10.4350 12.0893 12.0893 13.2269 13.2269 15.6157 15.6157 16.0282 16.0282 k = 0.1667-0.0962 0.1361 ( 2373 PWs) bands (ev): 3.0390 3.0390 4.1236 4.1236 4.1609 4.1609 4.4435 4.4435 4.4911 4.4911 4.4914 4.4914 7.1109 7.1109 7.5147 7.5147 7.6057 7.6057 7.6834 7.6834 7.7329 7.7329 8.0877 8.0877 8.2459 8.2459 8.3448 8.3448 8.5353 8.5353 8.7488 8.7488 10.3917 10.3917 10.4000 10.4000 10.4166 10.4166 11.9835 11.9835 13.2216 13.2216 15.6313 15.6313 16.0153 16.0153 k = 0.1765-0.1019 0.1441 ( 2373 PWs) bands (ev): 3.0966 3.0966 4.1228 4.1228 4.1647 4.1647 4.4427 4.4427 4.4949 4.4949 4.4955 4.4955 7.0796 7.0796 7.5207 7.5207 7.6126 7.6126 7.6912 7.6912 7.7433 7.7433 8.0671 8.0671 8.2510 8.2510 8.3462 8.3462 8.5235 8.5235 8.7483 8.7483 10.3716 10.3716 10.3822 10.3822 10.3993 10.3993 11.8781 11.8781 13.2160 13.2160 15.6494 15.6494 15.9896 15.9896 k = 0.1863-0.1075 0.1521 ( 2377 PWs) bands (ev): 3.1569 3.1569 4.1219 4.1219 4.1687 4.1687 4.4419 4.4419 4.4984 4.4984 4.5000 4.5000 7.0477 7.0477 7.5269 7.5269 7.6194 7.6194 7.6988 7.6988 7.7541 7.7541 8.0444 8.0444 8.2558 8.2558 8.3473 8.3473 8.5133 8.5133 8.7478 8.7478 10.3521 10.3521 10.3658 10.3658 10.3834 10.3834 11.7732 11.7732 13.2102 13.2102 15.6695 15.6695 15.9508 15.9508 k = 0.1961-0.1132 0.1601 ( 2377 PWs) bands (ev): 3.2198 3.2198 4.1208 4.1208 4.1727 4.1727 4.4412 4.4412 4.5021 4.5021 4.5045 4.5045 7.0153 7.0153 7.5333 7.5333 7.6263 7.6263 7.7065 7.7065 7.7650 7.7650 8.0198 8.0198 8.2604 8.2604 8.3481 8.3481 8.5050 8.5050 8.7472 8.7472 10.3329 10.3329 10.3509 10.3509 10.3692 10.3692 11.6691 11.6691 13.2042 13.2042 15.6913 15.6913 15.8995 15.8995 k = 0.2059-0.1189 0.1681 ( 2377 PWs) bands (ev): 3.2852 3.2852 4.1195 4.1195 4.1768 4.1768 4.4406 4.4406 4.5059 4.5059 4.5090 4.5090 6.9824 6.9824 7.5399 7.5399 7.6331 7.6331 7.7143 7.7143 7.7761 7.7761 7.9937 7.9937 8.2647 8.2647 8.3486 8.3486 8.4981 8.4981 8.7467 8.7467 10.3143 10.3143 10.3380 10.3380 10.3571 10.3571 11.5659 11.5659 13.1980 13.1980 15.7130 15.7130 15.8380 15.8380 k = 0.2157-0.1245 0.1761 ( 2381 PWs) bands (ev): 3.3528 3.3528 4.1179 4.1179 4.1810 4.1810 4.4399 4.4399 4.5096 4.5096 4.5135 4.5135 6.9493 6.9493 7.5465 7.5465 7.6395 7.6395 7.7222 7.7222 7.7873 7.7873 7.9666 7.9666 8.2685 8.2685 8.3488 8.3488 8.4927 8.4927 8.7462 8.7462 10.2961 10.2961 10.3271 10.3271 10.3472 10.3472 11.4637 11.4637 13.1916 13.1916 15.7210 15.7210 15.7808 15.7808 k = 0.2255-0.1302 0.1841 ( 2381 PWs) bands (ev): 3.4226 3.4226 4.1162 4.1162 4.1855 4.1855 4.4394 4.4394 4.5135 4.5135 4.5180 4.5180 6.9161 6.9161 7.5534 7.5534 7.6454 7.6454 7.7301 7.7301 7.7986 7.7986 7.9389 7.9389 8.2718 8.2718 8.3484 8.3484 8.4885 8.4885 8.7456 8.7456 10.2785 10.2785 10.3185 10.3185 10.3399 10.3399 11.3625 11.3625 13.1851 13.1851 15.6620 15.6620 15.7801 15.7801 k = 0.2353-0.1358 0.1921 ( 2405 PWs) bands (ev): 3.4942 3.4942 4.1140 4.1140 4.1899 4.1899 4.4387 4.4387 4.5171 4.5171 4.5224 4.5224 6.8828 6.8828 7.5604 7.5604 7.6504 7.6504 7.7381 7.7381 7.8097 7.8097 7.9113 7.9113 8.2743 8.2743 8.3474 8.3474 8.4852 8.4852 8.7450 8.7450 10.2613 10.2613 10.3123 10.3123 10.3351 10.3351 11.2622 11.2622 13.1784 13.1784 15.5729 15.5729 15.6869 15.6869 k = 0.2451-0.1415 0.2001 ( 2413 PWs) bands (ev): 3.5673 3.5673 4.1118 4.1118 4.1948 4.1948 4.4384 4.4384 4.5208 4.5208 4.5270 4.5270 6.8498 6.8498 7.5674 7.5674 7.6542 7.6542 7.7463 7.7463 7.8207 7.8207 7.8845 7.8845 8.2762 8.2762 8.3460 8.3460 8.4828 8.4828 8.7445 8.7445 10.2448 10.2448 10.3088 10.3088 10.3332 10.3332 11.1630 11.1630 13.1717 13.1717 15.4749 15.4749 15.5870 15.5870 k = 0.2549-0.1472 0.2081 ( 2413 PWs) bands (ev): 3.6416 3.6416 4.1095 4.1095 4.2003 4.2003 4.4381 4.4381 4.5246 4.5246 4.5317 4.5317 6.8171 6.8171 7.5745 7.5745 7.6562 7.6562 7.7547 7.7547 7.8317 7.8317 7.8596 7.8596 8.2773 8.2773 8.3441 8.3441 8.4810 8.4810 8.7440 8.7440 10.2288 10.2288 10.3080 10.3080 10.3342 10.3342 11.0648 11.0648 13.1649 13.1649 15.3712 15.3712 15.4818 15.4818 k = 0.2647-0.1528 0.2161 ( 2389 PWs) bands (ev): 3.7164 3.7164 4.1070 4.1070 4.2068 4.2068 4.4380 4.4380 4.5286 4.5286 4.5368 4.5368 6.7848 6.7848 7.5815 7.5815 7.6555 7.6555 7.7633 7.7633 7.8376 7.8376 7.8426 7.8426 8.2779 8.2779 8.3419 8.3419 8.4798 8.4798 8.7435 8.7435 10.2135 10.2135 10.3101 10.3101 10.3383 10.3383 10.9675 10.9675 13.1580 13.1580 15.2635 15.2635 15.3726 15.3726 k = 0.2745-0.1585 0.2241 ( 2389 PWs) bands (ev): 3.7909 3.7909 4.1042 4.1042 4.2143 4.2143 4.4380 4.4380 4.5323 4.5323 4.5422 4.5422 6.7531 6.7531 7.5882 7.5882 7.6510 7.6510 7.7720 7.7720 7.8199 7.8199 7.8530 7.8530 8.2774 8.2774 8.3387 8.3387 8.4789 8.4789 8.7430 8.7430 10.1987 10.1987 10.3151 10.3151 10.3454 10.3454 10.8711 10.8711 13.1512 13.1512 15.1529 15.1529 15.2604 15.2604 k = 0.2843-0.1641 0.2321 ( 2393 PWs) bands (ev): 3.8639 3.8639 4.1012 4.1012 4.2238 4.2238 4.4380 4.4380 4.5360 4.5360 4.5480 4.5480 6.7221 6.7221 7.5942 7.5942 7.6423 7.6423 7.7809 7.7809 7.8073 7.8073 7.8631 7.8631 8.2760 8.2760 8.3349 8.3349 8.4782 8.4782 8.7426 8.7426 10.1844 10.1844 10.3229 10.3229 10.3557 10.3557 10.7756 10.7756 13.1443 13.1443 15.0405 15.0405 15.1463 15.1463 k = 0.2941-0.1698 0.2401 ( 2393 PWs) bands (ev): 3.9336 3.9336 4.0981 4.0981 4.2368 4.2368 4.4381 4.4381 4.5395 4.5395 4.5549 4.5549 6.6920 6.6920 7.5980 7.5980 7.6311 7.6311 7.7899 7.7899 7.8002 7.8002 7.8728 7.8728 8.2736 8.2736 8.3305 8.3305 8.4778 8.4778 8.7421 8.7421 10.1708 10.1708 10.3337 10.3337 10.3690 10.3690 10.6810 10.6810 13.1374 13.1374 14.9271 14.9271 15.0309 15.0309 k = 0.3039-0.1755 0.2482 ( 2393 PWs) bands (ev): 3.9967 3.9967 4.0948 4.0948 4.2553 4.2553 4.4383 4.4383 4.5430 4.5430 4.5633 4.5633 6.6629 6.6629 7.5939 7.5939 7.6239 7.6239 7.7979 7.7979 7.7991 7.7991 7.8821 7.8821 8.2703 8.2703 8.3253 8.3253 8.4776 8.4776 8.7417 8.7417 10.1578 10.1578 10.3472 10.3472 10.3854 10.3854 10.5875 10.5875 13.1306 13.1306 14.8135 14.8135 14.9152 14.9152 k = 0.3137-0.1811 0.2562 ( 2393 PWs) bands (ev): 4.0496 4.0496 4.0914 4.0914 4.2818 4.2818 4.4385 4.4385 4.5464 4.5464 4.5744 4.5744 6.6348 6.6348 7.5783 7.5783 7.6255 7.6255 7.7991 7.7991 7.8085 7.8085 7.8908 7.8908 8.2661 8.2661 8.3193 8.3193 8.4775 8.4775 8.7413 8.7413 10.1454 10.1454 10.3629 10.3629 10.4048 10.4048 10.4954 10.4954 13.1239 13.1239 14.7002 14.7002 14.7996 14.7996 k = 0.3235-0.1868 0.2642 ( 2397 PWs) bands (ev): 4.0879 4.0879 4.0893 4.0893 4.3173 4.3173 4.4388 4.4388 4.5496 4.5496 4.5898 4.5898 6.6080 6.6080 7.5575 7.5575 7.6305 7.6305 7.8028 7.8028 7.8181 7.8181 7.8988 7.8988 8.2609 8.2609 8.3127 8.3127 8.4775 8.4775 8.7409 8.7409 10.1336 10.1336 10.3737 10.3737 10.4119 10.4119 10.4270 10.4270 13.1173 13.1173 14.5879 14.5879 14.6849 14.6849 k = 0.3333-0.1925 0.2722 ( 2381 PWs) bands (ev): 4.0846 4.0846 4.1162 4.1162 4.3584 4.3584 4.4393 4.4393 4.5528 4.5528 4.6124 4.6124 6.5826 6.5826 7.5352 7.5352 7.6366 7.6366 7.8083 7.8083 7.8278 7.8278 7.9064 7.9064 8.2549 8.2549 8.3054 8.3054 8.4777 8.4777 8.7409 8.7409 10.1225 10.1225 10.3070 10.3070 10.4096 10.4096 10.4519 10.4519 13.1108 13.1108 14.4771 14.4771 14.5715 14.5715 k = 0.3431-0.1981 0.2802 ( 2381 PWs) bands (ev): 4.0810 4.0810 4.1336 4.1336 4.3980 4.3980 4.4397 4.4397 4.5558 4.5558 4.6453 4.6453 6.5585 6.5585 7.5125 7.5125 7.6429 7.6429 7.8148 7.8148 7.8378 7.8378 7.9131 7.9131 8.2479 8.2479 8.2974 8.2974 8.4780 8.4780 8.7406 8.7406 10.1119 10.1119 10.2187 10.2187 10.4325 10.4325 10.4792 10.4792 13.1045 13.1045 14.3682 14.3682 14.4600 14.4600 k = 0.3529-0.2038 0.2882 ( 2377 PWs) bands (ev): 4.0775 4.0775 4.1450 4.1450 4.4301 4.4301 4.4402 4.4402 4.5587 4.5587 4.6908 4.6908 6.5359 6.5359 7.4900 7.4900 7.6492 7.6492 7.8222 7.8222 7.8479 7.8479 7.9191 7.9191 8.2402 8.2402 8.2889 8.2889 8.4785 8.4785 8.7403 8.7403 10.1019 10.1019 10.1309 10.1309 10.4585 10.4585 10.5087 10.5087 13.0983 13.0983 14.2618 14.2618 14.3509 14.3509 k = 0.3627-0.2094 0.2962 ( 2377 PWs) bands (ev): 4.0740 4.0740 4.1527 4.1527 4.4407 4.4407 4.4532 4.4532 4.5614 4.5614 4.7478 4.7478 6.5149 6.5149 7.4683 7.4683 7.6553 7.6553 7.8301 7.8301 7.8581 7.8581 7.9243 7.9243 8.2316 8.2316 8.2799 8.2799 8.4789 8.4789 8.7401 8.7401 10.0445 10.0445 10.0926 10.0926 10.4866 10.4866 10.5400 10.5400 13.0924 13.0924 14.1583 14.1583 14.2445 14.2445 k = 0.3725-0.2151 0.3042 ( 2377 PWs) bands (ev): 4.0705 4.0705 4.1580 4.1580 4.4412 4.4412 4.4687 4.4687 4.5640 4.5640 4.8128 4.8128 6.4956 6.4956 7.4475 7.4475 7.6612 7.6612 7.8384 7.8384 7.8685 7.8685 7.9287 7.9287 8.2222 8.2222 8.2704 8.2704 8.4795 8.4795 8.7400 8.7400 9.9601 9.9601 10.0838 10.0838 10.5164 10.5164 10.5729 10.5729 13.0867 13.0867 14.0581 14.0581 14.1416 14.1416 k = 0.3824-0.2208 0.3122 ( 2377 PWs) bands (ev): 4.0672 4.0672 4.1617 4.1617 4.4417 4.4417 4.4792 4.4792 4.5664 4.5664 4.8822 4.8822 6.4779 6.4779 7.4278 7.4278 7.6669 7.6669 7.8469 7.8469 7.8790 7.8790 7.9323 7.9323 8.2120 8.2120 8.2607 8.2607 8.4801 8.4801 8.7399 8.7399 9.8783 9.8783 10.0757 10.0757 10.5473 10.5473 10.6070 10.6070 13.0813 13.0813 13.9618 13.9618 14.0424 14.0424 k = 0.3922-0.2264 0.3202 ( 2369 PWs) bands (ev): 4.0640 4.0640 4.1645 4.1645 4.4422 4.4422 4.4866 4.4866 4.5686 4.5686 4.9531 4.9531 6.4621 6.4621 7.4096 7.4096 7.6722 7.6722 7.8555 7.8555 7.8895 7.8895 7.9354 7.9354 8.2012 8.2012 8.2508 8.2508 8.4808 8.4808 8.7399 8.7399 9.7995 9.7995 10.0683 10.0683 10.5789 10.5789 10.6417 10.6417 13.0762 13.0762 13.8699 13.8699 13.9477 13.9477 k = 0.4020-0.2321 0.3282 ( 2369 PWs) bands (ev): 4.0610 4.0610 4.1664 4.1664 4.4427 4.4427 4.4916 4.4916 4.5707 4.5707 5.0233 5.0233 6.4480 6.4480 7.3926 7.3926 7.6772 7.6772 7.8640 7.8640 7.8996 7.8996 7.9382 7.9382 8.1896 8.1896 8.2408 8.2408 8.4814 8.4814 8.7399 8.7399 9.7243 9.7243 10.0614 10.0614 10.6108 10.6108 10.6767 10.6767 13.0713 13.0713 13.7828 13.7828 13.8579 13.8579 k = 0.4118-0.2377 0.3362 ( 2369 PWs) bands (ev): 4.0581 4.0581 4.1677 4.1677 4.4432 4.4432 4.4952 4.4952 4.5726 4.5726 5.0915 5.0915 6.4357 6.4357 7.3770 7.3770 7.6819 7.6819 7.8724 7.8724 7.9089 7.9089 7.9413 7.9413 8.1773 8.1773 8.2309 8.2309 8.4821 8.4821 8.7400 8.7400 9.6534 9.6534 10.0552 10.0552 10.6425 10.6425 10.7113 10.7113 13.0668 13.0668 13.7012 13.7012 13.7737 13.7737 k = 0.4216-0.2434 0.3442 ( 2373 PWs) bands (ev): 4.0554 4.0554 4.1687 4.1687 4.4436 4.4436 4.4979 4.4979 4.5742 4.5742 5.1561 5.1561 6.4252 6.4252 7.3630 7.3630 7.6861 7.6861 7.8804 7.8804 7.9160 7.9160 7.9459 7.9459 8.1643 8.1643 8.2213 8.2213 8.4828 8.4828 8.7401 8.7401 9.5875 9.5875 10.0496 10.0496 10.6733 10.6733 10.7449 10.7449 13.0627 13.0627 13.6257 13.6257 13.6956 13.6956 k = 0.4314-0.2491 0.3522 ( 2374 PWs) bands (ev): 4.0530 4.0530 4.1693 4.1693 4.4440 4.4440 4.4998 4.4998 4.5757 4.5757 5.2161 5.2161 6.4165 6.4165 7.3505 7.3505 7.6899 7.6899 7.8882 7.8882 7.9202 7.9202 7.9532 7.9532 8.1508 8.1508 8.2121 8.2121 8.4834 8.4834 8.7404 8.7404 9.5271 9.5271 10.0447 10.0447 10.7026 10.7026 10.7770 10.7770 13.0589 13.0589 13.5568 13.5568 13.6244 13.6244 k = 0.4412-0.2547 0.3602 ( 2374 PWs) bands (ev): 4.0509 4.0509 4.1697 4.1697 4.4444 4.4444 4.5012 4.5012 4.5770 4.5770 5.2705 5.2705 6.4094 6.4094 7.3396 7.3396 7.6932 7.6932 7.8954 7.8954 7.9217 7.9217 7.9631 7.9631 8.1366 8.1366 8.2035 8.2035 8.4840 8.4840 8.7406 8.7406 9.4730 9.4730 10.0404 10.0404 10.7298 10.7298 10.8067 10.8067 13.0555 13.0555 13.4953 13.4953 13.5608 13.5608 k = 0.4510-0.2604 0.3682 ( 2382 PWs) bands (ev): 4.0491 4.0491 4.1698 4.1698 4.4447 4.4447 4.5021 4.5021 4.5780 4.5780 5.3183 5.3183 6.4039 6.4039 7.3302 7.3302 7.6961 7.6961 7.9019 7.9019 7.9215 7.9215 7.9748 7.9748 8.1220 8.1220 8.1957 8.1957 8.4845 8.4845 8.7409 8.7409 9.4259 9.4259 10.0366 10.0366 10.7544 10.7544 10.8335 10.8335 13.0524 13.0524 13.4417 13.4417 13.5054 13.5054 k = 0.4608-0.2660 0.3762 ( 2382 PWs) bands (ev): 4.0476 4.0476 4.1699 4.1699 4.4450 4.4450 4.5028 4.5028 4.5789 4.5789 5.3586 5.3586 6.3998 6.3998 7.3226 7.3226 7.6984 7.6984 7.9076 7.9076 7.9204 7.9204 7.9875 7.9875 8.1071 8.1071 8.1890 8.1890 8.4849 8.4849 8.7412 8.7412 9.3865 9.3865 10.0337 10.0337 10.7755 10.7755 10.8566 10.8566 13.0499 13.0499 13.3969 13.3969 13.4590 13.4590 k = 0.4706-0.2717 0.3842 ( 2374 PWs) bands (ev): 4.0464 4.0464 4.1700 4.1700 4.4452 4.4452 4.5034 4.5034 4.5797 4.5797 5.3908 5.3908 6.3969 6.3969 7.3168 7.3168 7.7003 7.7003 7.9124 7.9124 7.9192 7.9192 8.0011 8.0011 8.0919 8.0919 8.1835 8.1835 8.4853 8.4853 8.7415 8.7415 9.3552 9.3552 10.0313 10.0313 10.7926 10.7926 10.8754 10.8754 13.0478 13.0478 13.3613 13.3613 13.4223 13.4223 k = 0.4804-0.2774 0.3922 ( 2366 PWs) bands (ev): 4.0457 4.0457 4.1701 4.1701 4.4454 4.4454 4.5037 4.5037 4.5802 4.5802 5.4142 5.4142 6.3950 6.3950 7.3126 7.3126 7.7017 7.7017 7.9158 7.9158 7.9180 7.9180 8.0151 8.0151 8.0766 8.0766 8.1794 8.1794 8.4858 8.4858 8.7418 8.7418 9.3325 9.3325 10.0297 10.0297 10.8053 10.8053 10.8893 10.8893 13.0462 13.0462 13.3354 13.3354 13.3956 13.3956 k = 0.4902-0.2830 0.4002 ( 2358 PWs) bands (ev): 4.0452 4.0452 4.1701 4.1701 4.4456 4.4456 4.5040 4.5040 4.5806 4.5806 5.4284 5.4284 6.3940 6.3940 7.3100 7.3100 7.7026 7.7026 7.9171 7.9171 7.9180 7.9180 8.0292 8.0292 8.0618 8.0618 8.1769 8.1769 8.4859 8.4859 8.7419 8.7419 9.3188 9.3188 10.0287 10.0287 10.8131 10.8131 10.8978 10.8978 13.0452 13.0452 13.3197 13.3197 13.3794 13.3794 k = 0.5000-0.2887 0.4082 ( 2346 PWs) bands (ev): 4.0450 4.0450 4.1703 4.1703 4.4457 4.4457 4.5042 4.5042 4.5808 4.5808 5.4332 5.4332 6.3937 6.3937 7.3092 7.3092 7.7029 7.7029 7.9169 7.9169 7.9187 7.9187 8.0395 8.0395 8.0514 8.0514 8.1762 8.1762 8.4860 8.4860 8.7420 8.7420 9.3144 9.3144 10.0283 10.0283 10.8157 10.8157 10.9007 10.9007 13.0449 13.0449 13.3144 13.3144 13.3740 13.3740 k = 0.5000-0.2887 0.4082 ( 2346 PWs) bands (ev): 4.0450 4.0450 4.1703 4.1703 4.4457 4.4457 4.5042 4.5042 4.5808 4.5808 5.4332 5.4332 6.3937 6.3937 7.3092 7.3092 7.7029 7.7029 7.9169 7.9169 7.9187 7.9187 8.0395 8.0395 8.0514 8.0514 8.1762 8.1762 8.4860 8.4860 8.7420 8.7420 9.3144 9.3144 10.0283 10.0283 10.8157 10.8157 10.9007 10.9007 13.0449 13.0449 13.3144 13.3144 13.3740 13.3740 k = 0.5000-0.2776 0.4161 ( 2358 PWs) bands (ev): 4.0451 4.0451 4.1703 4.1703 4.4457 4.4457 4.5041 4.5041 4.5807 4.5807 5.4338 5.4338 6.3945 6.3945 7.3081 7.3081 7.7026 7.7026 7.9160 7.9160 7.9190 7.9190 8.0361 8.0361 8.0556 8.0556 8.1774 8.1774 8.4856 8.4856 8.7408 8.7408 9.3144 9.3144 10.0215 10.0215 10.8155 10.8155 10.9018 10.9018 13.0493 13.0493 13.3142 13.3142 13.3738 13.3738 k = 0.5000-0.2665 0.4240 ( 2366 PWs) bands (ev): 4.0458 4.0458 4.1704 4.1704 4.4458 4.4458 4.5040 4.5040 4.5804 4.5804 5.4358 5.4358 6.3967 6.3967 7.3050 7.3050 7.7022 7.7022 7.9134 7.9134 7.9198 7.9198 8.0308 8.0308 8.0635 8.0635 8.1811 8.1811 8.4853 8.4853 8.7370 8.7370 9.3145 9.3145 10.0021 10.0021 10.8060 10.8060 10.9135 10.9135 13.0620 13.0620 13.3134 13.3134 13.3732 13.3732 k = 0.5000-0.2554 0.4318 ( 2374 PWs) bands (ev): 4.0470 4.0470 4.1706 4.1706 4.4460 4.4460 4.5040 4.5040 4.5799 4.5799 5.4392 5.4392 6.4005 6.4005 7.2997 7.2997 7.7015 7.7015 7.9091 7.9091 7.9212 7.9212 8.0264 8.0264 8.0724 8.0724 8.1873 8.1873 8.4846 8.4846 8.7306 8.7306 9.3148 9.3148 9.9724 9.9724 10.7761 10.7761 10.9455 10.9455 13.0820 13.0820 13.3120 13.3120 13.3724 13.3724 k = 0.5000-0.2443 0.4397 ( 2380 PWs) bands (ev): 4.0487 4.0487 4.1708 4.1708 4.4463 4.4463 4.5040 4.5040 4.5794 4.5794 5.4438 5.4438 6.4058 6.4058 7.2925 7.2925 7.7006 7.7006 7.9033 7.9033 7.9230 7.9230 8.0233 8.0233 8.0815 8.0815 8.1960 8.1960 8.4838 8.4838 8.7218 8.7218 9.3152 9.3152 9.9355 9.9355 10.7280 10.7280 10.9944 10.9944 13.1074 13.1074 13.3099 13.3099 13.3715 13.3715 k = 0.5000-0.2332 0.4475 ( 2388 PWs) bands (ev): 4.0508 4.0508 4.1712 4.1712 4.4467 4.4467 4.5040 4.5040 4.5787 4.5787 5.4497 5.4497 6.4126 6.4126 7.2834 7.2834 7.6998 7.6998 7.8963 7.8963 7.9252 7.9252 8.0216 8.0216 8.0906 8.0906 8.2069 8.2069 8.4827 8.4827 8.7103 8.7103 9.3158 9.3158 9.8941 9.8941 10.6662 10.6662 11.0547 11.0547 13.1363 13.1363 13.3067 13.3067 13.3707 13.3707 k = 0.5000-0.2221 0.4554 ( 2386 PWs) bands (ev): 4.0535 4.0535 4.1717 4.1717 4.4472 4.4472 4.5041 4.5041 4.5779 4.5779 5.4567 5.4567 6.4209 6.4209 7.2725 7.2725 7.6990 7.6990 7.8883 7.8883 7.9277 7.9277 8.0213 8.0213 8.0996 8.0996 8.2199 8.2199 8.4815 8.4815 8.6963 8.6963 9.3164 9.3164 9.8506 9.8506 10.5940 10.5940 11.1230 11.1230 13.1668 13.1668 13.3024 13.3024 13.3702 13.3702 k = 0.5000-0.2110 0.4632 ( 2388 PWs) bands (ev): 4.0566 4.0566 4.1722 4.1722 4.4476 4.4476 4.5043 4.5043 4.5769 4.5769 5.4650 5.4650 6.4306 6.4306 7.2598 7.2598 7.6984 7.6984 7.8797 7.8797 7.9305 7.9305 8.0221 8.0221 8.1083 8.1083 8.2349 8.2349 8.4800 8.4800 8.6795 8.6795 9.3172 9.3172 9.8066 9.8066 10.5137 10.5137 11.1968 11.1968 13.1967 13.1967 13.2970 13.2970 13.3702 13.3702 k = 0.5000-0.1999 0.4711 ( 2384 PWs) bands (ev): 4.0601 4.0601 4.1727 4.1727 4.4479 4.4479 4.5047 4.5047 4.5759 4.5759 5.4743 5.4743 6.4417 6.4417 7.2456 7.2456 7.6982 7.6982 7.8707 7.8707 7.9335 7.9335 8.0241 8.0241 8.1168 8.1168 8.2518 8.2518 8.4784 8.4784 8.6601 8.6601 9.3180 9.3180 9.7635 9.7635 10.4274 10.4274 11.2748 11.2748 13.2240 13.2240 13.2913 13.2913 13.3709 13.3709 k = 0.5000-0.1887 0.4789 ( 2378 PWs) bands (ev): 4.0640 4.0640 4.1732 4.1732 4.4482 4.4482 4.5052 4.5052 4.5748 4.5748 5.4846 5.4846 6.4542 6.4542 7.2298 7.2298 7.6985 7.6985 7.8615 7.8615 7.9366 7.9366 8.0268 8.0268 8.1250 8.1250 8.2703 8.2703 8.4767 8.4767 8.6381 8.6381 9.3189 9.3189 9.7221 9.7221 10.3367 10.3367 11.3557 11.3557 13.2439 13.2439 13.2889 13.2889 13.3724 13.3724 k = 0.5000-0.1776 0.4868 ( 2378 PWs) bands (ev): 4.0683 4.0683 4.1736 4.1736 4.4483 4.4483 4.5059 4.5059 4.5734 4.5734 5.4958 5.4958 6.4680 6.4680 7.2127 7.2127 7.6993 7.6993 7.8524 7.8524 7.9397 7.9397 8.0303 8.0303 8.1327 8.1327 8.2904 8.2904 8.4748 8.4748 8.6136 8.6136 9.3198 9.3198 9.6831 9.6831 10.2430 10.2430 11.4387 11.4387 13.2477 13.2477 13.2977 13.2977 13.3747 13.3747 k = 0.5000-0.1665 0.4946 ( 2378 PWs) bands (ev): 4.0728 4.0728 4.1740 4.1740 4.4482 4.4482 4.5069 4.5069 4.5720 4.5720 5.5077 5.5077 6.4830 6.4830 7.1943 7.1943 7.7008 7.7008 7.8436 7.8436 7.9428 7.9428 8.0343 8.0343 8.1401 8.1401 8.3119 8.3119 8.4728 8.4728 8.5869 8.5869 9.3206 9.3206 9.6470 9.6470 10.1475 10.1475 11.5231 11.5231 13.2381 13.2381 13.3143 13.3143 13.3782 13.3782 k = 0.5000-0.1554 0.5025 ( 2378 PWs) bands (ev): 4.0776 4.0776 4.1743 4.1743 4.4479 4.4479 4.5080 4.5080 4.5705 4.5705 5.5202 5.5202 6.4993 6.4993 7.1747 7.1747 7.7029 7.7029 7.8354 7.8354 7.9458 7.9458 8.0387 8.0387 8.1470 8.1470 8.3348 8.3348 8.4706 8.4706 8.5585 8.5585 9.3214 9.3214 9.6139 9.6139 10.0512 10.0512 11.6082 11.6082 13.2228 13.2228 13.3309 13.3309 13.3831 13.3831 k = 0.5000-0.1443 0.5103 ( 2378 PWs) bands (ev): 4.0827 4.0827 4.1744 4.1744 4.4473 4.4473 4.5094 4.5094 4.5688 4.5688 5.5331 5.5331 6.5168 6.5168 7.1540 7.1540 7.7056 7.7056 7.8279 7.8279 7.9487 7.9487 8.0434 8.0434 8.1533 8.1533 8.3589 8.3589 8.4678 8.4678 8.5292 8.5292 9.3221 9.3221 9.5840 9.5840 9.9552 9.9552 11.6937 11.6937 13.2040 13.2040 13.3447 13.3447 13.3898 13.3898 k = 0.5000-0.1332 0.5182 ( 2370 PWs) bands (ev): 4.0880 4.0880 4.1745 4.1745 4.4466 4.4466 4.5111 4.5111 4.5672 4.5672 5.5463 5.5463 6.5353 6.5353 7.1325 7.1325 7.7089 7.7089 7.8215 7.8215 7.9516 7.9516 8.0482 8.0482 8.1590 8.1590 8.3837 8.3837 8.4626 8.4626 8.5020 8.5020 9.3226 9.3226 9.5572 9.5572 9.8601 9.8601 11.7791 11.7791 13.1822 13.1822 13.3550 13.3550 13.3982 13.3982 k = 0.5000-0.1221 0.5260 ( 2374 PWs) bands (ev): 4.0933 4.0933 4.1743 4.1743 4.4456 4.4456 4.5129 4.5129 4.5653 4.5653 5.5596 5.5596 6.5548 6.5548 7.1101 7.1101 7.7125 7.7125 7.8165 7.8165 7.9542 7.9542 8.0529 8.0529 8.1640 8.1640 8.4079 8.4079 8.4474 8.4474 8.4862 8.4862 9.3228 9.3228 9.5332 9.5332 9.7668 9.7668 11.8640 11.8640 13.1575 13.1575 13.3625 13.3625 13.4079 13.4079 k = 0.5000-0.1110 0.5339 ( 2374 PWs) bands (ev): 4.0987 4.0987 4.1739 4.1739 4.4445 4.4445 4.5150 4.5150 4.5634 4.5634 5.5728 5.5728 6.5753 6.5753 7.0870 7.0870 7.7160 7.7160 7.8134 7.8134 7.9567 7.9567 8.0575 8.0575 8.1681 8.1681 8.4159 8.4159 8.4331 8.4331 8.4873 8.4873 9.3223 9.3223 9.5118 9.5118 9.6764 9.6764 11.9482 11.9482 13.1300 13.1300 13.3679 13.3679 13.4179 13.4179 k = 0.5000-0.0999 0.5417 ( 2374 PWs) bands (ev): 4.1042 4.1042 4.1733 4.1733 4.4432 4.4432 4.5172 4.5172 4.5615 4.5615 5.5856 5.5856 6.5966 6.5966 7.0633 7.0633 7.7190 7.7190 7.8127 7.8127 7.9589 7.9589 8.0618 8.0618 8.1712 8.1712 8.3866 8.3866 8.4442 8.4442 8.5027 8.5027 9.3207 9.3207 9.4920 9.4920 9.5904 9.5904 12.0311 12.0311 13.0996 13.0996 13.3722 13.3722 13.4274 13.4274 k = 0.5000-0.0888 0.5496 ( 2374 PWs) bands (ev): 4.1097 4.1097 4.1724 4.1724 4.4419 4.4419 4.5196 4.5196 4.5594 4.5594 5.5979 5.5979 6.6187 6.6187 7.0391 7.0391 7.7212 7.7212 7.8147 7.8147 7.9609 7.9609 8.0658 8.0658 8.1728 8.1728 8.3556 8.3556 8.4488 8.4488 8.5297 8.5297 9.3165 9.3165 9.4685 9.4685 9.5159 9.5159 12.1127 12.1127 13.0662 13.0662 13.3757 13.3757 13.4362 13.4362 k = 0.5000-0.0777 0.5574 ( 2382 PWs) bands (ev): 4.1150 4.1150 4.1713 4.1713 4.4405 4.4405 4.5219 4.5219 4.5572 4.5572 5.6094 5.6094 6.6413 6.6413 7.0145 7.0145 7.7222 7.7222 7.8197 7.8197 7.9625 7.9625 8.0694 8.0694 8.1725 8.1725 8.3262 8.3262 8.4499 8.4499 8.5631 8.5631 9.3049 9.3049 9.4212 9.4212 9.4777 9.4777 12.1925 12.1925 13.0298 13.0298 13.3786 13.3786 13.4440 13.4440 k = 0.5000-0.0666 0.5653 ( 2366 PWs) bands (ev): 4.1205 4.1205 4.1700 4.1700 4.4394 4.4394 4.5246 4.5246 4.5550 4.5550 5.6199 5.6199 6.6645 6.6645 6.9897 6.9897 7.7224 7.7224 7.8275 7.8275 7.9639 7.9639 8.0724 8.0724 8.1698 8.1698 8.3002 8.3002 8.4499 8.4499 8.6006 8.6006 9.2731 9.2731 9.3765 9.3765 9.4624 9.4624 12.2704 12.2704 12.9902 12.9902 13.3811 13.3811 13.4508 13.4508 k = 0.5000-0.0555 0.5731 ( 2366 PWs) bands (ev): 4.1255 4.1255 4.1684 4.1684 4.4382 4.4382 4.5272 4.5272 4.5528 4.5528 5.6292 5.6292 6.6880 6.6880 6.9649 6.9649 7.7217 7.7217 7.8374 7.8374 7.9649 7.9649 8.0746 8.0746 8.1640 8.1640 8.2790 8.2790 8.4494 8.4494 8.6414 8.6414 9.2161 9.2161 9.3572 9.3572 9.4522 9.4522 12.3461 12.3461 12.9475 12.9475 13.3831 13.3831 13.4565 13.4565 k = 0.5000-0.0444 0.5810 ( 2368 PWs) bands (ev): 4.1302 4.1302 4.1666 4.1666 4.4371 4.4371 4.5298 4.5298 4.5504 4.5504 5.6371 5.6371 6.7114 6.7114 6.9403 6.9403 7.7206 7.7206 7.8485 7.8485 7.9654 7.9654 8.0760 8.0760 8.1551 8.1551 8.2634 8.2634 8.4488 8.4488 8.6852 8.6852 9.1494 9.1494 9.3502 9.3502 9.4446 9.4446 12.4193 12.4193 12.9015 12.9015 13.3848 13.3848 13.4612 13.4612 k = 0.5000-0.0333 0.5888 ( 2372 PWs) bands (ev): 4.1345 4.1345 4.1646 4.1646 4.4361 4.4361 4.5325 4.5325 4.5480 4.5480 5.6434 5.6434 6.7343 6.7343 6.9166 6.9166 7.7194 7.7194 7.8598 7.8598 7.9653 7.9653 8.0764 8.0764 8.1446 8.1446 8.2534 8.2534 8.4481 8.4481 8.7321 8.7321 9.0819 9.0819 9.3472 9.3472 9.4389 9.4389 12.4900 12.4900 12.8523 12.8523 13.3861 13.3861 13.4648 13.4648 k = 0.5000-0.0222 0.5967 ( 2368 PWs) bands (ev): 4.1381 4.1381 4.1627 4.1627 4.4355 4.4355 4.5351 4.5351 4.5455 4.5455 5.6480 5.6480 6.7556 6.7556 6.8947 6.8947 7.7184 7.7184 7.8699 7.8699 7.9650 7.9650 8.0758 8.0758 8.1351 8.1351 8.2475 8.2475 8.4477 8.4477 8.7820 8.7820 9.0164 9.0164 9.3459 9.3459 9.4350 9.4350 12.5579 12.5579 12.7999 12.7999 13.3871 13.3871 13.4674 13.4674 k = 0.5000-0.0111 0.6045 ( 2352 PWs) bands (ev): 4.1408 4.1408 4.1613 4.1613 4.4352 4.4352 4.5379 4.5379 4.5431 4.5431 5.6509 5.6509 6.7726 6.7726 6.8773 6.8773 7.7179 7.7179 7.8772 7.8772 7.9645 7.9645 8.0748 8.0748 8.1287 8.1287 8.2446 8.2446 8.4476 8.4476 8.8346 8.8346 8.9541 8.9541 9.3453 9.3453 9.4328 9.4328 12.6229 12.6229 12.7443 12.7443 13.3877 13.3877 13.4689 13.4689 k = 0.5000-0.0000 0.6124 ( 2352 PWs) bands (ev): 4.1417 4.1417 4.1607 4.1607 4.4351 4.4351 4.5402 4.5402 4.5409 4.5409 5.6518 5.6518 6.7797 6.7797 6.8701 6.8701 7.7176 7.7176 7.8798 7.8798 7.9643 7.9643 8.0743 8.0743 8.1265 8.1265 8.2437 8.2437 8.4475 8.4475 8.8794 8.8794 8.9061 8.9061 9.3451 9.3451 9.4320 9.4320 12.6796 12.6796 12.6907 12.6907 13.3879 13.3879 13.4694 13.4694 k = 0.5000-0.0000 0.6124 ( 2352 PWs) bands (ev): 4.1417 4.1417 4.1607 4.1607 4.4351 4.4351 4.5402 4.5402 4.5409 4.5409 5.6518 5.6518 6.7797 6.7797 6.8701 6.8701 7.7176 7.7176 7.8798 7.8798 7.9643 7.9643 8.0743 8.0743 8.1265 8.1265 8.2437 8.2437 8.4475 8.4475 8.8794 8.8794 8.9061 8.9061 9.3451 9.3451 9.4320 9.4320 12.6796 12.6796 12.6907 12.6907 13.3879 13.3879 13.4694 13.4694 k = 0.4931 0.0120 0.6124 ( 2354 PWs) bands (ev): 4.1412 4.1412 4.1610 4.1610 4.4352 4.4352 4.5385 4.5385 4.5425 4.5425 5.6509 5.6509 6.7762 6.7762 6.8738 6.8738 7.7175 7.7175 7.8783 7.8783 7.9644 7.9644 8.0744 8.0744 8.1277 8.1277 8.2434 8.2434 8.4472 8.4472 8.8490 8.8490 8.9301 8.9301 9.3497 9.3497 9.4384 9.4384 12.6383 12.6383 12.7276 12.7276 13.3894 13.3894 13.4723 13.4723 k = 0.4861 0.0241 0.6124 ( 2364 PWs) bands (ev): 4.1398 4.1398 4.1619 4.1619 4.4354 4.4354 4.5363 4.5363 4.5444 4.5444 5.6485 5.6485 6.7676 6.7676 6.8829 6.8829 7.7171 7.7171 7.8738 7.8738 7.9650 7.9650 8.0741 8.0741 8.1314 8.1314 8.2423 8.2423 8.4466 8.4466 8.8097 8.8097 8.9490 8.9490 9.3581 9.3581 9.4638 9.4638 12.5862 12.5862 12.7664 12.7664 13.3938 13.3938 13.4814 13.4814 k = 0.4792 0.0361 0.6124 ( 2368 PWs) bands (ev): 4.1377 4.1377 4.1633 4.1633 4.4360 4.4360 4.5340 4.5340 4.5463 4.5463 5.6449 5.6449 6.7568 6.7568 6.8946 6.8946 7.7166 7.7166 7.8666 7.8666 7.9662 7.9662 8.0730 8.0730 8.1375 8.1375 8.2408 8.2408 8.4457 8.4457 8.7719 8.7719 8.9545 8.9545 9.3628 9.3628 9.5137 9.5137 12.5281 12.5281 12.8023 12.8023 13.4007 13.4007 13.4970 13.4970 k = 0.4722 0.0481 0.6124 ( 2364 PWs) bands (ev): 4.1353 4.1353 4.1648 4.1648 4.4368 4.4368 4.5317 4.5317 4.5483 4.5483 5.6404 5.6404 6.7454 6.7454 6.9072 6.9072 7.7160 7.7160 7.8574 7.8574 7.9682 7.9682 8.0707 8.0707 8.1448 8.1448 8.2396 8.2396 8.4443 8.4443 8.7368 8.7368 8.9496 8.9496 9.3635 9.3635 9.5840 9.5840 12.4644 12.4644 12.8351 12.8351 13.4100 13.4100 13.5192 13.5192 k = 0.4653 0.0601 0.6124 ( 2367 PWs) bands (ev): 4.1326 4.1326 4.1663 4.1663 4.4378 4.4378 4.5293 4.5293 4.5502 4.5502 5.6353 5.6353 6.7342 6.7342 6.9198 6.9198 7.7151 7.7151 7.8469 7.8469 7.9706 7.9706 8.0670 8.0670 8.1513 8.1513 8.2402 8.2402 8.4425 8.4425 8.7052 8.7052 8.9378 8.9378 9.3620 9.3620 9.6679 9.6679 12.3955 12.3955 12.8651 12.8651 13.4211 13.4211 13.5477 13.5477 k = 0.4583 0.0722 0.6124 ( 2367 PWs) bands (ev): 4.1298 4.1298 4.1678 4.1678 4.4391 4.4391 4.5269 4.5269 4.5521 4.5521 5.6298 5.6298 6.7237 6.7237 6.9322 6.9322 7.7140 7.7140 7.8360 7.8360 7.9734 7.9734 8.0622 8.0622 8.1542 8.1542 8.2447 8.2447 8.4404 8.4404 8.6774 8.6774 8.9220 8.9220 9.3596 9.3596 9.7608 9.7608 12.3218 12.3218 12.8923 12.8923 13.4336 13.4336 13.5823 13.5823 k = 0.4514 0.0842 0.6124 ( 2375 PWs) bands (ev): 4.1268 4.1268 4.1692 4.1692 4.4405 4.4405 4.5243 4.5243 4.5538 4.5538 5.6241 5.6241 6.7140 6.7140 6.9439 6.9439 7.7124 7.7124 7.8254 7.8254 7.9764 7.9764 8.0563 8.0563 8.1521 8.1521 8.2543 8.2543 8.4380 8.4380 8.6534 8.6534 8.9038 8.9038 9.3568 9.3568 9.8596 9.8596 12.2440 12.2440 12.9169 12.9169 13.4471 13.4471 13.6225 13.6225 k = 0.4444 0.0962 0.6124 ( 2373 PWs) bands (ev): 4.1241 4.1241 4.1705 4.1705 4.4422 4.4422 4.5218 4.5218 4.5555 4.5555 5.6184 5.6184 6.7053 6.7053 6.9549 6.9549 7.7103 7.7103 7.8159 7.8159 7.9791 7.9791 8.0494 8.0494 8.1455 8.1455 8.2684 8.2684 8.4355 8.4355 8.6333 8.6333 8.8842 8.8842 9.3540 9.3540 9.9623 9.9623 12.1625 12.1625 12.9390 12.9390 13.4610 13.4610 13.6679 13.6679 k = 0.4375 0.1083 0.6124 ( 2371 PWs) bands (ev): 4.1213 4.1213 4.1717 4.1717 4.4439 4.4439 4.5193 4.5193 4.5572 4.5572 5.6129 5.6129 6.6975 6.6975 6.9652 6.9652 7.7075 7.7075 7.8079 7.8079 7.9813 7.9813 8.0421 8.0421 8.1363 8.1363 8.2856 8.2856 8.4330 8.4330 8.6165 8.6165 8.8641 8.8641 9.3513 9.3513 10.0674 10.0674 12.0779 12.0779 12.9587 12.9587 13.4750 13.4750 13.7182 13.7182 k = 0.4306 0.1203 0.6124 ( 2368 PWs) bands (ev): 4.1187 4.1187 4.1727 4.1727 4.4459 4.4459 4.5168 4.5168 4.5587 4.5587 5.6076 5.6076 6.6907 6.6907 6.9746 6.9746 7.7039 7.7039 7.8019 7.8019 7.9818 7.9818 8.0351 8.0351 8.1258 8.1258 8.3044 8.3044 8.4306 8.4306 8.6028 8.6028 8.8440 8.8440 9.3488 9.3488 10.1739 10.1739 11.9909 11.9909 12.9762 12.9762 13.4885 13.4885 13.7726 13.7726 k = 0.4236 0.1323 0.6124 ( 2364 PWs) bands (ev): 4.1163 4.1163 4.1737 4.1737 4.4478 4.4478 4.5144 4.5144 4.5601 4.5601 5.6027 5.6027 6.6848 6.6848 6.9831 6.9831 7.6996 7.6996 7.7980 7.7980 7.9795 7.9795 8.0299 8.0299 8.1152 8.1152 8.3238 8.3238 8.4286 8.4286 8.5915 8.5915 8.8243 8.8243 9.3465 9.3465 10.2805 10.2805 11.9021 11.9021 12.9915 12.9915 13.5013 13.5013 13.8308 13.8308 k = 0.4167 0.1443 0.6124 ( 2364 PWs) bands (ev): 4.1141 4.1141 4.1745 4.1745 4.4498 4.4498 4.5120 4.5120 4.5613 4.5613 5.5983 5.5983 6.6798 6.6798 6.9906 6.9906 7.6949 7.6949 7.7962 7.7962 7.9735 7.9735 8.0277 8.0277 8.1051 8.1051 8.3429 8.3429 8.4270 8.4270 8.5821 8.5821 8.8055 8.8055 9.3445 9.3445 10.3861 10.3861 11.8123 11.8123 13.0047 13.0047 13.5130 13.5130 13.8920 13.8920 k = 0.4097 0.1564 0.6124 ( 2360 PWs) bands (ev): 4.1122 4.1122 4.1751 4.1751 4.4516 4.4516 4.5099 4.5099 4.5624 4.5624 5.5945 5.5945 6.6757 6.6757 6.9970 6.9970 7.6902 7.6902 7.7962 7.7962 7.9645 7.9645 8.0286 8.0286 8.0957 8.0957 8.3608 8.3608 8.4264 8.4264 8.5741 8.5741 8.7880 8.7880 9.3428 9.3428 10.4895 10.4895 11.7228 11.7228 13.0159 13.0159 13.5233 13.5233 13.9556 13.9556 k = 0.4028 0.1684 0.6124 ( 2360 PWs) bands (ev): 4.1105 4.1105 4.1757 4.1757 4.4533 4.4533 4.5080 4.5080 4.5633 4.5633 5.5912 5.5912 6.6724 6.6724 7.0024 7.0024 7.6857 7.6857 7.7975 7.7975 7.9540 7.9540 8.0316 8.0316 8.0870 8.0870 8.3764 8.3764 8.4270 8.4270 8.5673 8.5673 8.7724 8.7724 9.3413 9.3413 10.5886 10.5886 11.6351 11.6351 13.0250 13.0250 13.5320 13.5320 14.0208 14.0208 k = 0.3958 0.1804 0.6124 ( 2364 PWs) bands (ev): 4.1092 4.1092 4.1760 4.1760 4.4548 4.4548 4.5063 4.5063 4.5640 4.5640 5.5886 5.5886 6.6698 6.6698 7.0066 7.0066 7.6818 7.6818 7.7995 7.7995 7.9439 7.9439 8.0357 8.0357 8.0793 8.0793 8.3883 8.3883 8.4295 8.4295 8.5615 8.5615 8.7593 8.7593 9.3402 9.3402 10.6804 10.6804 11.5524 11.5524 13.0321 13.0321 13.5389 13.5389 14.0866 14.0866 k = 0.3889 0.1925 0.6124 ( 2364 PWs) bands (ev): 4.1083 4.1083 4.1763 4.1763 4.4559 4.4559 4.5051 4.5051 4.5645 4.5645 5.5868 5.5868 6.6681 6.6681 7.0097 7.0097 7.6789 7.6789 7.8018 7.8018 7.9354 7.9354 8.0403 8.0403 8.0724 8.0724 8.3957 8.3957 8.4337 8.4337 8.5568 8.5568 8.7493 8.7493 9.3394 9.3394 10.7593 10.7593 11.4800 11.4800 13.0372 13.0372 13.5440 13.5440 14.1519 14.1519 k = 0.3819 0.2045 0.6124 ( 2367 PWs) bands (ev): 4.1076 4.1076 4.1765 4.1765 4.4566 4.4566 4.5043 4.5043 4.5648 4.5648 5.5856 5.5856 6.6670 6.6670 7.0115 7.0115 7.6771 7.6771 7.8035 7.8035 7.9298 7.9298 8.0445 8.0445 8.0669 8.0669 8.3993 8.3993 8.4379 8.4379 8.5535 8.5535 8.7431 8.7431 9.3389 9.3389 10.8158 10.8158 11.4275 11.4275 13.0402 13.0402 13.5470 13.5470 14.2135 14.2135 k = 0.3750 0.2165 0.6124 ( 2364 PWs) bands (ev): 4.1075 4.1075 4.1766 4.1766 4.4569 4.4569 4.5040 4.5040 4.5649 4.5649 5.5853 5.5853 6.6667 6.6667 7.0121 7.0121 7.6765 7.6765 7.8041 7.8041 7.9279 7.9279 8.0465 8.0465 8.0645 8.0645 8.4003 8.4003 8.4396 8.4396 8.5524 8.5524 8.7410 8.7410 9.3387 9.3387 10.8370 10.8370 11.4076 11.4076 13.0412 13.0412 13.5481 13.5481 14.2516 14.2516 k = 0.3750 0.2165 0.6124 ( 2364 PWs) bands (ev): 4.1075 4.1075 4.1766 4.1766 4.4569 4.4569 4.5040 4.5040 4.5649 4.5649 5.5853 5.5853 6.6667 6.6667 7.0121 7.0121 7.6765 7.6765 7.8041 7.8041 7.9279 7.9279 8.0465 8.0465 8.0645 8.0645 8.4003 8.4003 8.4396 8.4396 8.5524 8.5524 8.7410 8.7410 9.3387 9.3387 10.8370 10.8370 11.4076 11.4076 13.0412 13.0412 13.5481 13.5481 14.2516 14.2516 k = 0.3681 0.2125 0.6010 ( 2364 PWs) bands (ev): 4.1121 4.1121 4.1764 4.1764 4.4569 4.4569 4.5044 4.5044 4.5639 4.5639 5.5891 5.5891 6.6990 6.6990 6.9832 6.9832 7.6748 7.6748 7.7976 7.7976 7.9067 7.9067 8.0563 8.0563 8.0676 8.0676 8.3852 8.3852 8.4250 8.4250 8.5431 8.5431 8.7053 8.7053 9.3390 9.3390 10.8482 10.8482 11.4743 11.4743 13.0075 13.0075 13.5797 13.5797 14.3064 14.3064 k = 0.3611 0.2085 0.5897 ( 2362 PWs) bands (ev): 4.1166 4.1166 4.1761 4.1761 4.4568 4.4568 4.5048 4.5048 4.5628 4.5628 5.5892 5.5892 6.7332 6.7332 6.9545 6.9545 7.6730 7.6730 7.7907 7.7907 7.8851 7.8851 8.0630 8.0630 8.0729 8.0729 8.3649 8.3649 8.4131 8.4131 8.5131 8.5131 8.6999 8.6999 9.3391 9.3391 10.8613 10.8613 11.5456 11.5456 12.9719 12.9719 13.6145 13.6145 14.2864 14.2864 k = 0.3542 0.2045 0.5784 ( 2362 PWs) bands (ev): 4.1207 4.1207 4.1758 4.1758 4.4564 4.4564 4.5052 4.5052 4.5617 4.5617 5.5845 5.5845 6.7690 6.7690 6.9269 6.9269 7.6709 7.6709 7.7830 7.7830 7.8637 7.8637 8.0652 8.0652 8.0817 8.0817 8.3410 8.3410 8.4013 8.4013 8.4764 8.4764 8.7125 8.7125 9.3390 9.3390 10.8764 10.8764 11.6214 11.6214 12.9347 12.9347 13.6525 13.6525 14.2630 14.2630 k = 0.3472 0.2005 0.5670 ( 2373 PWs) bands (ev): 4.1245 4.1245 4.1753 4.1753 4.4556 4.4556 4.5057 4.5057 4.5605 4.5605 5.5742 5.5742 6.8059 6.8059 6.9019 6.9019 7.6683 7.6683 7.7737 7.7737 7.8436 7.8436 8.0650 8.0650 8.0913 8.0913 8.3144 8.3144 8.3867 8.3867 8.4458 8.4458 8.7325 8.7325 9.3386 9.3386 10.8934 10.8934 11.7019 11.7019 12.8957 12.8957 13.6936 13.6936 14.2365 14.2365 k = 0.3403 0.1965 0.5557 ( 2363 PWs) bands (ev): 4.1279 4.1279 4.1750 4.1750 4.4546 4.4546 4.5064 4.5064 4.5594 4.5594 5.5575 5.5575 6.8403 6.8403 6.8839 6.8839 7.6651 7.6651 7.7617 7.7617 7.8268 7.8268 8.0634 8.0634 8.1008 8.1008 8.2869 8.2869 8.3684 8.3684 8.4259 8.4259 8.7557 8.7557 9.3379 9.3379 10.9122 10.9122 11.7870 11.7870 12.8551 12.8551 13.7381 13.7381 14.2074 14.2074 k = 0.3333 0.1925 0.5443 ( 2359 PWs) bands (ev): 4.1308 4.1308 4.1746 4.1746 4.4533 4.4533 4.5071 4.5071 4.5582 4.5582 5.5335 5.5335 6.8473 6.8473 6.8988 6.8988 7.6611 7.6611 7.7460 7.7460 7.8147 7.8147 8.0605 8.0605 8.1093 8.1093 8.2603 8.2603 8.3486 8.3486 8.4140 8.4140 8.7804 8.7804 9.3370 9.3370 10.9330 10.9330 11.8766 11.8766 12.8129 12.8129 13.7858 13.7858 14.1760 14.1760 k = 0.3264 0.1884 0.5330 ( 2363 PWs) bands (ev): 4.1331 4.1331 4.1742 4.1742 4.4515 4.4515 4.5077 4.5077 4.5569 4.5569 5.5018 5.5018 6.8353 6.8353 6.9387 6.9387 7.6557 7.6557 7.7273 7.7273 7.8072 7.8072 8.0563 8.0563 8.1164 8.1164 8.2367 8.2367 8.3299 8.3299 8.4064 8.4064 8.8059 8.8059 9.3358 9.3358 10.9556 10.9556 11.9708 11.9708 12.7691 12.7691 13.8367 13.8367 14.1429 14.1429 k = 0.3194 0.1844 0.5217 ( 2355 PWs) bands (ev): 4.1350 4.1350 4.1739 4.1739 4.4495 4.4495 4.5083 4.5083 4.5555 4.5555 5.4623 5.4623 6.8254 6.8254 6.9834 6.9834 7.6484 7.6484 7.7078 7.7078 7.8035 7.8035 8.0511 8.0511 8.1210 8.1210 8.2178 8.2178 8.3134 8.3134 8.4012 8.4012 8.8319 8.8319 9.3344 9.3344 10.9801 10.9801 12.0695 12.0695 12.7239 12.7239 13.8903 13.8903 14.1089 14.1089 k = 0.3125 0.1804 0.5103 ( 2353 PWs) bands (ev): 4.1361 4.1361 4.1738 4.1738 4.4469 4.4469 4.5089 4.5089 4.5538 4.5538 5.4151 5.4151 6.8200 6.8200 7.0303 7.0303 7.6376 7.6376 7.6902 7.6902 7.8024 7.8024 8.0451 8.0451 8.1221 8.1221 8.2048 8.2048 8.2994 8.2994 8.3974 8.3974 8.8583 8.8583 9.3327 9.3327 11.0063 11.0063 12.1725 12.1725 12.6772 12.6772 13.9446 13.9446 14.0761 14.0761 k = 0.3056 0.1764 0.4990 ( 2357 PWs) bands (ev): 4.1364 4.1364 4.1737 4.1737 4.4437 4.4437 4.5094 4.5094 4.5520 4.5520 5.3608 5.3608 6.8196 6.8196 7.0791 7.0791 7.6220 7.6220 7.6769 7.6769 7.8032 7.8032 8.0385 8.0385 8.1190 8.1190 8.1975 8.1975 8.2879 8.2879 8.3947 8.3947 8.8851 8.8851 9.3309 9.3309 11.0344 11.0344 12.2796 12.2796 12.6292 12.6292 13.9869 13.9869 14.0577 14.0577 k = 0.2986 0.1724 0.4876 ( 2365 PWs) bands (ev): 4.1360 4.1360 4.1737 4.1737 4.4398 4.4398 4.5097 4.5097 4.5499 4.5499 5.3002 5.3002 6.8239 6.8239 7.1296 7.1296 7.6025 7.6025 7.6678 7.6678 7.8056 7.8056 8.0318 8.0318 8.1123 8.1123 8.1944 8.1944 8.2794 8.2794 8.3930 8.3930 8.9124 8.9124 9.3289 9.3289 11.0642 11.0642 12.3905 12.3905 12.5799 12.5799 13.9773 13.9773 14.0940 14.0940 k = 0.2917 0.1684 0.4763 ( 2365 PWs) bands (ev): 4.1350 4.1350 4.1737 4.1737 4.4351 4.4351 4.5100 4.5100 4.5475 4.5475 5.2344 5.2344 6.8326 6.8326 7.1814 7.1814 7.5808 7.5808 7.6616 7.6616 7.8092 7.8092 8.0251 8.0251 8.1035 8.1035 8.1932 8.1932 8.2745 8.2745 8.3922 8.3922 8.9404 8.9404 9.3269 9.3269 11.0957 11.0957 12.5048 12.5048 12.5293 12.5293 13.9440 13.9440 14.1571 14.1571 k = 0.2847 0.1644 0.4649 ( 2365 PWs) bands (ev): 4.1332 4.1332 4.1738 4.1738 4.4293 4.4293 4.5102 4.5102 4.5449 4.5449 5.1648 5.1648 6.8450 6.8450 7.2344 7.2344 7.5587 7.5587 7.6572 7.6572 7.8140 7.8140 8.0185 8.0185 8.0935 8.0935 8.1921 8.1921 8.2733 8.2733 8.3922 8.3922 8.9693 8.9693 9.3249 9.3249 11.1289 11.1289 12.4776 12.4776 12.6220 12.6220 13.9075 13.9075 14.2272 14.2272 k = 0.2778 0.1604 0.4536 ( 2369 PWs) bands (ev): 4.1307 4.1307 4.1736 4.1736 4.4221 4.4221 4.5101 4.5101 4.5418 4.5418 5.0926 5.0926 6.8606 6.8606 7.2879 7.2879 7.5372 7.5372 7.6540 7.6540 7.8195 7.8195 8.0120 8.0120 8.0830 8.0830 8.1907 8.1907 8.2756 8.2756 8.3929 8.3929 8.9992 8.9992 9.3230 9.3230 11.1638 11.1638 12.4248 12.4248 12.7411 12.7411 13.8713 13.8713 14.3013 14.3013 k = 0.2708 0.1564 0.4423 ( 2369 PWs) bands (ev): 4.1273 4.1273 4.1734 4.1734 4.4131 4.4131 4.5100 4.5100 4.5384 4.5384 5.0195 5.0195 6.8787 6.8787 7.3410 7.3410 7.5177 7.5177 7.6517 7.6517 7.8258 7.8258 8.0056 8.0056 8.0721 8.0721 8.1893 8.1893 8.2806 8.2806 8.3941 8.3941 9.0303 9.0303 9.3214 9.3214 11.2004 11.2004 12.3711 12.3711 12.8609 12.8609 13.8376 13.8376 14.3789 14.3789 k = 0.2639 0.1524 0.4309 ( 2373 PWs) bands (ev): 4.1227 4.1227 4.1730 4.1730 4.4015 4.4015 4.5096 4.5096 4.5347 4.5347 4.9472 4.9472 6.8988 6.8988 7.3905 7.3905 7.5031 7.5031 7.6503 7.6503 7.8326 7.8326 7.9991 7.9991 8.0609 8.0609 8.1884 8.1884 8.2876 8.2876 8.3959 8.3959 9.0629 9.0629 9.3202 9.3202 11.2386 11.2386 12.3165 12.3165 12.9789 12.9789 13.8087 13.8087 14.4594 14.4594 k = 0.2569 0.1483 0.4196 ( 2373 PWs) bands (ev): 4.1167 4.1167 4.1722 4.1722 4.3867 4.3867 4.5091 4.5091 4.5305 4.5305 4.8778 4.8778 6.9203 6.9203 7.4244 7.4244 7.5051 7.5051 7.6501 7.6501 7.8399 7.8399 7.9927 7.9927 8.0498 8.0498 8.1886 8.1886 8.2959 8.2959 8.3981 8.3981 9.0971 9.0971 9.3196 9.3196 11.2785 11.2785 12.2610 12.2610 13.0912 13.0912 13.7886 13.7886 14.5426 14.5426 k = 0.2500 0.1443 0.4082 ( 2385 PWs) bands (ev): 4.1084 4.1084 4.1711 4.1711 4.3677 4.3677 4.5082 4.5082 4.5258 4.5258 4.8135 4.8135 6.9428 6.9428 7.4279 7.4279 7.5369 7.5369 7.6516 7.6516 7.8477 7.8477 7.9864 7.9864 8.0385 8.0385 8.1900 8.1900 8.3051 8.3051 8.4007 8.4007 9.1331 9.1331 9.3199 9.3199 11.3200 11.3200 12.2049 12.2049 13.1908 13.1908 13.7842 13.7842 14.6283 14.6283 k = 0.2431 0.1403 0.3969 ( 2385 PWs) bands (ev): 4.0969 4.0969 4.1698 4.1698 4.3441 4.3441 4.5072 4.5072 4.5211 4.5211 4.7564 4.7564 6.9658 6.9658 7.4168 7.4168 7.5792 7.5792 7.6578 7.6578 7.8560 7.8560 7.9809 7.9809 8.0274 8.0274 8.1928 8.1928 8.3147 8.3147 8.4037 8.4037 9.1708 9.1708 9.3215 9.3215 11.3631 11.3631 12.1481 12.1481 13.2676 13.2676 13.8055 13.8055 14.7161 14.7161 k = 0.2361 0.1363 0.3856 ( 2385 PWs) bands (ev): 4.0803 4.0803 4.1681 4.1681 4.3164 4.3164 4.5059 4.5059 4.5163 4.5163 4.7082 4.7082 6.9892 6.9892 7.4028 7.4028 7.6105 7.6105 7.6772 7.6772 7.8654 7.8654 7.9765 7.9765 8.0167 8.0167 8.1969 8.1969 8.3247 8.3247 8.4071 8.4071 9.2100 9.2100 9.3250 9.3250 11.4079 11.4079 12.0908 12.0908 13.3126 13.3126 13.8610 13.8610 14.8058 14.8058 k = 0.2292 0.1323 0.3742 ( 2385 PWs) bands (ev): 4.0559 4.0559 4.1661 4.1661 4.2872 4.2872 4.5040 4.5040 4.5118 4.5118 4.6695 4.6695 7.0125 7.0125 7.3886 7.3886 7.6229 7.6229 7.7117 7.7117 7.8771 7.8771 7.9737 7.9737 8.0071 8.0071 8.2020 8.2020 8.3346 8.3346 8.4110 8.4110 9.2494 9.2494 9.3322 9.3322 11.4542 11.4542 12.0330 12.0330 13.3268 13.3268 13.9492 13.9492 14.8969 14.8969 k = 0.2222 0.1283 0.3629 ( 2385 PWs) bands (ev): 4.0210 4.0210 4.1639 4.1639 4.2600 4.2600 4.5013 4.5013 4.5081 4.5081 4.6393 4.6393 7.0357 7.0357 7.3753 7.3753 7.6266 7.6266 7.7462 7.7462 7.8934 7.8934 7.9722 7.9722 8.0011 8.0011 8.2077 8.2077 8.3444 8.3444 8.4154 8.4154 9.2849 9.2849 9.3474 9.3474 11.5021 11.5021 11.9750 11.9750 13.3195 13.3195 14.0601 14.0601 14.9890 14.9890 k = 0.2153 0.1243 0.3515 ( 2385 PWs) bands (ev): 3.9747 3.9747 4.1616 4.1616 4.2377 4.2377 4.4977 4.4977 4.5053 4.5053 4.6161 4.6161 7.0585 7.0585 7.3631 7.3631 7.6274 7.6274 7.7698 7.7698 7.9145 7.9145 7.9693 7.9693 8.0052 8.0052 8.2140 8.2140 8.3537 8.3537 8.4205 8.4205 9.3093 9.3093 9.3782 9.3782 11.5516 11.5516 11.9166 11.9166 13.2997 13.2997 14.1835 14.1835 15.0817 15.0817 k = 0.2083 0.1203 0.3402 ( 2393 PWs) bands (ev): 3.9181 3.9181 4.1591 4.1591 4.2209 4.2209 4.4936 4.4936 4.5031 4.5031 4.5980 4.5980 7.0808 7.0808 7.3521 7.3521 7.6270 7.6270 7.7806 7.7806 7.9322 7.9322 7.9661 7.9661 8.0263 8.0263 8.2204 8.2204 8.3624 8.3624 8.4263 8.4263 9.3249 9.3249 9.4225 9.4225 11.6026 11.6026 11.8582 11.8582 13.2735 13.2735 14.3120 14.3120 15.1743 15.1743 k = 0.2014 0.1163 0.3289 ( 2383 PWs) bands (ev): 3.8539 3.8539 4.1567 4.1567 4.2088 4.2088 4.4898 4.4898 4.5012 4.5012 4.5837 4.5837 7.1026 7.1026 7.3426 7.3426 7.6260 7.6260 7.7822 7.7822 7.9350 7.9350 7.9705 7.9705 8.0638 8.0638 8.2268 8.2268 8.3706 8.3706 8.4332 8.4332 9.3386 9.3386 9.4739 9.4739 11.6553 11.6553 11.7997 11.7997 13.2441 13.2441 14.4400 14.4400 15.2662 15.2662 k = 0.1944 0.1123 0.3175 ( 2383 PWs) bands (ev): 3.7850 3.7850 4.1544 4.1544 4.1998 4.1998 4.4861 4.4861 4.4992 4.4992 4.5719 4.5719 7.1237 7.1237 7.3345 7.3345 7.6246 7.6246 7.7780 7.7780 7.9271 7.9271 7.9804 7.9804 8.1102 8.1102 8.2332 8.2332 8.3782 8.3782 8.4411 8.4411 9.3534 9.3534 9.5293 9.5293 11.7093 11.7093 11.7414 11.7414 13.2137 13.2137 14.5626 14.5626 15.3566 15.3566 k = 0.1875 0.1083 0.3062 ( 2385 PWs) bands (ev): 3.7134 3.7134 4.1522 4.1522 4.1928 4.1928 4.4826 4.4826 4.4972 4.4972 4.5617 4.5617 7.1441 7.1441 7.3277 7.3277 7.6228 7.6228 7.7703 7.7703 7.9161 7.9161 7.9916 7.9916 8.1588 8.1588 8.2399 8.2399 8.3855 8.3855 8.4501 8.4501 9.3708 9.3708 9.5876 9.5876 11.6831 11.6831 11.7651 11.7651 13.1835 13.1835 14.6754 14.6754 15.4445 15.4445 k = 0.1806 0.1042 0.2948 ( 2391 PWs) bands (ev): 3.6407 3.6407 4.1501 4.1501 4.1870 4.1870 4.4794 4.4794 4.4951 4.4951 4.5529 4.5529 7.1638 7.1638 7.3225 7.3225 7.6207 7.6207 7.7607 7.7607 7.9040 7.9040 8.0033 8.0033 8.2033 8.2033 8.2492 8.2492 8.3935 8.3935 8.4601 8.4601 9.3914 9.3914 9.6482 9.6482 11.6252 11.6252 11.8221 11.8221 13.1546 13.1546 14.7739 14.7739 15.5291 15.5291 k = 0.1736 0.1002 0.2835 ( 2391 PWs) bands (ev): 3.5678 3.5678 4.1482 4.1482 4.1821 4.1821 4.4766 4.4766 4.4930 4.4930 4.5449 4.5449 7.1828 7.1828 7.3187 7.3187 7.6185 7.6185 7.7499 7.7499 7.8913 7.8913 8.0153 8.0153 8.2310 8.2310 8.2702 8.2702 8.4037 8.4037 8.4709 8.4709 9.4160 9.4160 9.7105 9.7105 11.5677 11.5677 11.8807 11.8807 13.1275 13.1275 14.8554 14.8554 15.6094 15.6094 k = 0.1667 0.0962 0.2722 ( 2391 PWs) bands (ev): 3.4955 3.4955 4.1464 4.1464 4.1778 4.1778 4.4739 4.4739 4.4908 4.4908 4.5375 4.5375 7.2009 7.2009 7.3165 7.3165 7.6161 7.6161 7.7384 7.7384 7.8784 7.8784 8.0276 8.0276 8.2405 8.2405 8.3008 8.3008 8.4190 8.4190 8.4825 8.4825 9.4451 9.4451 9.7740 9.7740 11.5107 11.5107 11.9406 11.9406 13.1027 13.1027 14.9191 14.9191 15.6841 15.6841 k = 0.1597 0.0922 0.2608 ( 2383 PWs) bands (ev): 3.4244 3.4244 4.1448 4.1448 4.1739 4.1739 4.4716 4.4716 4.4887 4.4887 4.5307 4.5307 7.2181 7.2181 7.3158 7.3158 7.6135 7.6135 7.7267 7.7267 7.8652 7.8652 8.0399 8.0399 8.2446 8.2446 8.3249 8.3249 8.4417 8.4417 8.4948 8.4948 9.4790 9.4790 9.8381 9.8381 11.4543 11.4543 12.0020 12.0020 13.0809 13.0809 14.9668 14.9668 15.7518 15.7518 k = 0.1528 0.0882 0.2495 ( 2371 PWs) bands (ev): 3.3550 3.3550 4.1432 4.1432 4.1702 4.1702 4.4694 4.4694 4.4866 4.4866 4.5243 4.5243 7.2343 7.2343 7.3168 7.3168 7.6109 7.6109 7.7149 7.7149 7.8519 7.8519 8.0523 8.0523 8.2468 8.2468 8.3393 8.3393 8.4712 8.4712 8.5076 8.5076 9.5179 9.5179 9.9025 9.9025 11.3987 11.3987 12.0646 12.0646 13.0622 13.0622 15.0018 15.0018 15.8111 15.8111 k = 0.1458 0.0842 0.2381 ( 2379 PWs) bands (ev): 3.2874 3.2874 4.1417 4.1417 4.1666 4.1666 4.4673 4.4673 4.4844 4.4844 4.5181 4.5181 7.2494 7.2494 7.3193 7.3193 7.6080 7.6080 7.7033 7.7033 7.8384 7.8384 8.0644 8.0644 8.2475 8.2475 8.3468 8.3468 8.5034 8.5034 8.5208 8.5208 9.5620 9.5620 9.9664 9.9664 11.3440 11.3440 12.1284 12.1284 13.0471 13.0471 15.0278 15.0278 15.8605 15.8605 k = 0.1389 0.0802 0.2268 ( 2383 PWs) bands (ev): 3.2220 3.2220 4.1402 4.1402 4.1631 4.1631 4.4654 4.4654 4.4822 4.4822 4.5122 4.5122 7.2632 7.2632 7.3236 7.3236 7.6051 7.6051 7.6919 7.6919 7.8249 7.8249 8.0763 8.0763 8.2473 8.2473 8.3503 8.3503 8.5338 8.5338 8.5360 8.5360 9.6112 9.6112 10.0295 10.0295 11.2902 11.2902 12.1934 12.1934 13.0358 13.0358 15.0480 15.0480 15.8992 15.8992 k = 0.1319 0.0762 0.2155 ( 2383 PWs) bands (ev): 3.1590 3.1590 4.1388 4.1388 4.1598 4.1598 4.4637 4.4637 4.4801 4.4801 4.5065 4.5065 7.2757 7.2757 7.3297 7.3297 7.6020 7.6020 7.6810 7.6810 7.8113 7.8113 8.0879 8.0879 8.2463 8.2463 8.3515 8.3515 8.5483 8.5483 8.5656 8.5656 9.6652 9.6652 10.0911 10.0911 11.2376 11.2376 12.2595 12.2595 13.0284 13.0284 15.0652 15.0652 15.9272 15.9272 k = 0.1250 0.0722 0.2041 ( 2383 PWs) bands (ev): 3.0986 3.0986 4.1375 4.1375 4.1566 4.1566 4.4621 4.4621 4.4780 4.4780 4.5011 4.5011 7.2871 7.2871 7.3374 7.3374 7.5989 7.5989 7.6705 7.6705 7.7976 7.7976 8.0991 8.0991 8.2446 8.2446 8.3512 8.3512 8.5626 8.5626 8.5928 8.5928 9.7236 9.7236 10.1508 10.1508 11.1862 11.1862 12.3265 12.3265 13.0251 13.0251 15.0814 15.0814 15.9447 15.9447 k = 0.1181 0.0682 0.1928 ( 2385 PWs) bands (ev): 3.0408 3.0408 4.1362 4.1362 4.1534 4.1534 4.4607 4.4607 4.4759 4.4759 4.4959 4.4959 7.2974 7.2974 7.3464 7.3464 7.5957 7.5957 7.6607 7.6607 7.7840 7.7840 8.1098 8.1098 8.2422 8.2422 8.3501 8.3501 8.5770 8.5770 8.6171 8.6171 9.7859 9.7859 10.2080 10.2080 11.1362 11.1362 12.3942 12.3942 13.0259 13.0259 15.0982 15.0982 15.9529 15.9529 k = 0.1111 0.0642 0.1814 ( 2379 PWs) bands (ev): 2.9859 2.9859 4.1350 4.1350 4.1505 4.1505 4.4593 4.4593 4.4740 4.4740 4.4911 4.4911 7.3071 7.3071 7.3562 7.3562 7.5924 7.5924 7.6515 7.6515 7.7705 7.7705 8.1198 8.1198 8.2392 8.2392 8.3483 8.3483 8.5918 8.5918 8.6385 8.6385 9.8513 9.8513 10.2625 10.2625 11.0877 11.0877 12.4626 12.4626 13.0308 13.0308 15.1167 15.1167 15.9532 15.9532 k = 0.1042 0.0601 0.1701 ( 2373 PWs) bands (ev): 2.9339 2.9339 4.1338 4.1338 4.1476 4.1476 4.4581 4.4581 4.4721 4.4721 4.4866 4.4866 7.3166 7.3166 7.3666 7.3666 7.5889 7.5889 7.6429 7.6429 7.7571 7.7571 8.1293 8.1293 8.2359 8.2359 8.3462 8.3462 8.6066 8.6066 8.6571 8.6571 9.9191 9.9191 10.3137 10.3137 11.0409 11.0410 12.5314 12.5314 13.0394 13.0394 15.1378 15.1378 15.9473 15.9473 k = 0.0972 0.0561 0.1588 ( 2363 PWs) bands (ev): 2.8849 2.8849 4.1327 4.1327 4.1449 4.1449 4.4570 4.4570 4.4702 4.4702 4.4824 4.4824 7.3261 7.3261 7.3770 7.3770 7.5853 7.5853 7.6350 7.6350 7.7439 7.7439 8.1381 8.1381 8.2321 8.2321 8.3440 8.3440 8.6214 8.6214 8.6733 8.6733 9.9885 9.9885 10.3615 10.3615 10.9960 10.9960 12.6003 12.6003 13.0517 13.0517 15.1624 15.1624 15.9366 15.9366 k = 0.0903 0.0521 0.1474 ( 2367 PWs) bands (ev): 2.8390 2.8390 4.1315 4.1315 4.1421 4.1421 4.4558 4.4558 4.4683 4.4683 4.4786 4.4786 7.3358 7.3358 7.3871 7.3871 7.5814 7.5814 7.6278 7.6278 7.7309 7.7309 8.1461 8.1461 8.2280 8.2280 8.3415 8.3415 8.6360 8.6360 8.6873 8.6873 10.0587 10.0587 10.4055 10.4055 10.9531 10.9531 12.6690 12.6690 13.0670 13.0670 15.1909 15.1909 15.9226 15.9226 k = 0.0833 0.0481 0.1361 ( 2363 PWs) bands (ev): 2.7963 2.7963 4.1305 4.1305 4.1396 4.1396 4.4547 4.4547 4.4664 4.4664 4.4753 4.4753 7.3457 7.3457 7.3969 7.3969 7.5774 7.5774 7.6212 7.6212 7.7184 7.7184 8.1534 8.1534 8.2237 8.2237 8.3391 8.3391 8.6504 8.6504 8.6994 8.6994 10.1289 10.1289 10.4457 10.4457 10.9123 10.9123 12.7373 12.7373 13.0849 13.0849 15.2237 15.2237 15.9064 15.9064 k = 0.0764 0.0441 0.1247 ( 2363 PWs) bands (ev): 2.7567 2.7567 4.1295 4.1295 4.1372 4.1372 4.4537 4.4537 4.4643 4.4643 4.4725 4.4725 7.3560 7.3560 7.4062 7.4062 7.5731 7.5731 7.6150 7.6150 7.7064 7.7064 8.1599 8.1599 8.2193 8.2193 8.3368 8.3368 8.6645 8.6645 8.7097 8.7097 10.1981 10.1981 10.4819 10.4819 10.8739 10.8739 12.8045 12.8045 13.1049 13.1049 15.2610 15.2610 15.8891 15.8891 k = 0.0694 0.0401 0.1134 ( 2375 PWs) bands (ev): 2.7205 2.7205 4.1284 4.1284 4.1349 4.1349 4.4526 4.4526 4.4619 4.4619 4.4702 4.4702 7.3666 7.3666 7.4149 7.4149 7.5686 7.5686 7.6088 7.6088 7.6951 7.6951 8.1656 8.1656 8.2149 8.2149 8.3346 8.3346 8.6780 8.6780 8.7185 8.7185 10.2655 10.2655 10.5143 10.5143 10.8380 10.8380 12.8703 12.8703 13.1261 13.1261 15.3030 15.3030 15.8713 15.8713 k = 0.0625 0.0361 0.1021 ( 2379 PWs) bands (ev): 2.6876 2.6876 4.1275 4.1275 4.1328 4.1328 4.4516 4.4516 4.4594 4.4594 4.4686 4.4686 7.3775 7.3775 7.4230 7.4230 7.5641 7.5641 7.6026 7.6026 7.6849 7.6849 8.1705 8.1705 8.2106 8.2106 8.3326 8.3326 8.6909 8.6909 8.7261 8.7261 10.3303 10.3303 10.5429 10.5429 10.8048 10.8048 12.9341 12.9341 13.1480 13.1480 15.3495 15.3495 15.8537 15.8537 k = 0.0556 0.0321 0.0907 ( 2379 PWs) bands (ev): 2.6580 2.6580 4.1267 4.1267 4.1309 4.1309 4.4507 4.4507 4.4571 4.4571 4.4674 4.4674 7.3887 7.3887 7.4305 7.4305 7.5596 7.5596 7.5960 7.5960 7.6759 7.6759 8.1748 8.1748 8.2064 8.2064 8.3309 8.3309 8.7030 8.7030 8.7325 8.7325 10.3915 10.3915 10.5678 10.5678 10.7745 10.7745 12.9950 12.9950 13.1698 13.1698 15.3998 15.3998 15.8367 15.8367 k = 0.0486 0.0281 0.0794 ( 2379 PWs) bands (ev): 2.6319 2.6319 4.1259 4.1259 4.1292 4.1292 4.4498 4.4498 4.4548 4.4548 4.4665 4.4665 7.4002 7.4002 7.4373 7.4373 7.5553 7.5553 7.5886 7.5886 7.6684 7.6684 8.1783 8.1783 8.2026 8.2026 8.3294 8.3294 8.7142 8.7142 8.7379 8.7379 10.4482 10.4482 10.5892 10.5892 10.7473 10.7473 13.0524 13.0524 13.1908 13.1908 15.4529 15.4529 15.8206 15.8206 k = 0.0417 0.0241 0.0680 ( 2389 PWs) bands (ev): 2.6091 2.6091 4.1252 4.1252 4.1276 4.1276 4.4490 4.4490 4.4527 4.4527 4.4658 4.4658 7.4116 7.4116 7.4433 7.4433 7.5512 7.5512 7.5805 7.5805 7.6624 7.6624 8.1812 8.1812 8.1990 8.1990 8.3282 8.3282 8.7242 8.7242 8.7423 8.7423 10.4996 10.4996 10.6072 10.6072 10.7232 10.7232 13.1053 13.1053 13.2104 13.2104 15.5072 15.5072 15.8059 15.8059 k = 0.0347 0.0200 0.0567 ( 2401 PWs) bands (ev): 2.5899 2.5899 4.1245 4.1245 4.1262 4.1262 4.4482 4.4482 4.4509 4.4509 4.4652 4.4652 7.4229 7.4229 7.4485 7.4485 7.5474 7.5474 7.5716 7.5716 7.6579 7.6579 8.1835 8.1835 8.1959 8.1959 8.3272 8.3272 8.7328 8.7328 8.7460 8.7460 10.5448 10.5448 10.6220 10.6220 10.7027 10.7027 13.1526 13.1526 13.2279 13.2279 15.5597 15.5597 15.7929 15.7929 k = 0.0278 0.0160 0.0454 ( 2405 PWs) bands (ev): 2.5741 2.5741 4.1240 4.1240 4.1251 4.1251 4.4476 4.4476 4.4494 4.4494 4.4649 4.4649 7.4339 7.4339 7.4530 7.4530 7.5441 7.5441 7.5624 7.5624 7.6546 7.6546 8.1853 8.1853 8.1932 8.1932 8.3264 8.3264 8.7401 8.7401 8.7488 8.7488 10.5829 10.5829 10.6339 10.6339 10.6857 10.6857 13.1934 13.1934 13.2430 13.2430 15.6057 15.6057 15.7834 15.7834 k = 0.0208 0.0120 0.0340 ( 2415 PWs) bands (ev): 2.5618 2.5618 4.1236 4.1236 4.1242 4.1242 4.4472 4.4472 4.4481 4.4481 4.4645 4.4645 7.4441 7.4441 7.4566 7.4566 7.5412 7.5412 7.5533 7.5533 7.6522 7.6522 8.1866 8.1866 8.1911 8.1911 8.3258 8.3258 8.7460 8.7460 8.7510 8.7510 10.6132 10.6132 10.6429 10.6429 10.6725 10.6725 13.2265 13.2265 13.2550 13.2550 15.6382 15.6382 15.7811 15.7811 k = 0.0139 0.0080 0.0227 ( 2417 PWs) bands (ev): 2.5530 2.5530 4.1233 4.1233 4.1236 4.1236 4.4468 4.4468 4.4473 4.4473 4.4643 4.4643 7.4529 7.4529 7.4592 7.4592 7.5391 7.5391 7.5453 7.5453 7.6508 7.6508 8.1875 8.1875 8.1895 8.1895 8.3254 8.3254 8.7503 8.7503 8.7525 8.7525 10.6350 10.6350 10.6489 10.6489 10.6638 10.6638 13.2510 13.2510 13.2639 13.2639 15.6524 15.6524 15.7890 15.7890 k = 0.0069 0.0040 0.0113 ( 2421 PWs) bands (ev): 2.5477 2.5477 4.1231 4.1231 4.1232 4.1232 4.4466 4.4466 4.4467 4.4467 4.4642 4.4642 7.4591 7.4591 7.4609 7.4609 7.5378 7.5378 7.5395 7.5395 7.6500 7.6500 8.1880 8.1880 8.1885 8.1885 8.3251 8.3251 8.7529 8.7529 8.7535 8.7535 10.6472 10.6472 10.6510 10.6510 10.6609 10.6609 13.2660 13.2660 13.2693 13.2693 15.6544 15.6544 15.8004 15.8004 k = 0.0000 0.0000 0.0000 ( 2421 PWs) bands (ev): 2.5459 2.5459 4.1231 4.1231 4.1231 4.1231 4.4466 4.4466 4.4466 4.4466 4.4641 4.4641 7.4614 7.4614 7.4614 7.4614 7.5374 7.5374 7.5374 7.5374 7.6498 7.6498 8.1882 8.1882 8.1882 8.1882 8.3250 8.3250 8.7538 8.7538 8.7538 8.7538 10.6507 10.6507 10.6507 10.6507 10.6615 10.6615 13.2711 13.2711 13.2711 13.2711 15.6538 15.6538 15.8055 15.8055 k = 0.0000 0.0000 0.0000 ( 2421 PWs) bands (ev): 2.5459 2.5459 4.1231 4.1231 4.1231 4.1231 4.4466 4.4466 4.4466 4.4466 4.4641 4.4641 7.4614 7.4614 7.4614 7.4614 7.5374 7.5374 7.5374 7.5374 7.6498 7.6498 8.1882 8.1882 8.1882 8.1882 8.3250 8.3250 8.7538 8.7538 8.7538 8.7538 10.6507 10.6507 10.6507 10.6507 10.6615 10.6615 13.2711 13.2711 13.2711 13.2711 15.6538 15.6538 15.8055 15.8055 k = 0.0111 0.0064 0.0045 ( 2421 PWs) bands (ev): 2.5476 2.5476 4.1232 4.1232 4.1232 4.1232 4.4466 4.4466 4.4467 4.4467 4.4642 4.4642 7.4596 7.4596 7.4604 7.4604 7.5378 7.5378 7.5394 7.5394 7.6500 7.6500 8.1880 8.1880 8.1885 8.1885 8.3251 8.3251 8.7532 8.7532 8.7532 8.7532 10.6467 10.6467 10.6516 10.6516 10.6609 10.6609 13.2677 13.2677 13.2679 13.2679 15.6543 15.6543 15.8001 15.8001 k = 0.0222 0.0128 0.0091 ( 2418 PWs) bands (ev): 2.5527 2.5527 4.1234 4.1234 4.1234 4.1234 4.4468 4.4468 4.4472 4.4472 4.4643 4.4643 7.4548 7.4548 7.4577 7.4577 7.5391 7.5391 7.5450 7.5450 7.6508 7.6508 8.1874 8.1874 8.1895 8.1895 8.3254 8.3254 8.7514 8.7514 8.7516 8.7516 10.6319 10.6319 10.6542 10.6542 10.6622 10.6622 13.2577 13.2577 13.2583 13.2583 15.6510 15.6510 15.7893 15.7893 k = 0.0333 0.0192 0.0136 ( 2418 PWs) bands (ev): 2.5611 2.5611 4.1238 4.1238 4.1239 4.1239 4.4472 4.4472 4.4480 4.4480 4.4645 4.4645 7.4480 7.4480 7.4534 7.4534 7.5407 7.5407 7.5532 7.5532 7.6522 7.6522 8.1865 8.1865 8.1910 8.1910 8.3257 8.3257 8.7485 8.7485 8.7488 8.7488 10.6057 10.6057 10.6585 10.6585 10.6658 10.6658 13.2414 13.2414 13.2427 13.2427 15.6306 15.6306 15.7891 15.7891 k = 0.0444 0.0257 0.0181 ( 2406 PWs) bands (ev): 2.5729 2.5729 4.1245 4.1245 4.1245 4.1245 4.4477 4.4477 4.4492 4.4492 4.4648 4.4648 7.4400 7.4400 7.4482 7.4482 7.5422 7.5422 7.5630 7.5630 7.6544 7.6544 8.1853 8.1853 8.1931 8.1931 8.3264 8.3264 8.7445 8.7445 8.7451 8.7451 10.5691 10.5691 10.6645 10.6645 10.6713 10.6713 13.2193 13.2193 13.2216 13.2216 15.5861 15.5861 15.8105 15.8105 k = 0.0556 0.0321 0.0227 ( 2394 PWs) bands (ev): 2.5881 2.5881 4.1253 4.1253 4.1254 4.1254 4.4484 4.4484 4.4507 4.4507 4.4652 4.4652 7.4315 7.4315 7.4423 7.4423 7.5430 7.5430 7.5740 7.5740 7.6577 7.6577 8.1837 8.1837 8.1956 8.1956 8.3272 8.3272 8.7395 8.7395 8.7403 8.7403 10.5226 10.5226 10.6720 10.6720 10.6784 10.6784 13.1923 13.1923 13.1956 13.1956 15.5244 15.5244 15.8497 15.8497 k = 0.0667 0.0385 0.0272 ( 2382 PWs) bands (ev): 2.6066 2.6066 4.1263 4.1263 4.1264 4.1264 4.4492 4.4492 4.4525 4.4525 4.4656 4.4656 7.4229 7.4229 7.4361 7.4361 7.5428 7.5428 7.5855 7.5855 7.6618 7.6618 8.1817 8.1817 8.1984 8.1984 8.3282 8.3282 8.7335 8.7335 8.7347 8.7347 10.4670 10.4670 10.6810 10.6810 10.6869 10.6869 13.1610 13.1610 13.1655 13.1655 15.4531 15.4531 15.9016 15.9016 k = 0.0778 0.0449 0.0318 ( 2382 PWs) bands (ev): 2.6285 2.6285 4.1273 4.1273 4.1275 4.1275 4.4501 4.4501 4.4545 4.4545 4.4661 4.4661 7.4143 7.4143 7.4298 7.4298 7.5413 7.5413 7.5975 7.5975 7.6670 7.6670 8.1793 8.1793 8.2013 8.2013 8.3295 8.3295 8.7262 8.7262 8.7280 8.7280 10.4028 10.4028 10.6914 10.6914 10.6967 10.6967 13.1263 13.1263 13.1320 13.1320 15.3767 15.3767 15.9633 15.9633 k = 0.0889 0.0513 0.0363 ( 2376 PWs) bands (ev): 2.6536 2.6536 4.1284 4.1284 4.1288 4.1288 4.4511 4.4511 4.4569 4.4569 4.4667 4.4667 7.4060 7.4060 7.4235 7.4235 7.5387 7.5387 7.6097 7.6097 7.6731 7.6731 8.1766 8.1766 8.2043 8.2043 8.3311 8.3311 8.7181 8.7181 8.7204 8.7204 10.3308 10.3308 10.7029 10.7029 10.7077 10.7077 13.0891 13.0891 13.0960 13.0960 15.2981 15.2981 16.0330 16.0330 k = 0.1000 0.0577 0.0408 ( 2376 PWs) bands (ev): 2.6820 2.6820 4.1297 4.1297 4.1302 4.1302 4.4522 4.4522 4.4594 4.4594 4.4673 4.4673 7.3980 7.3980 7.4175 7.4175 7.5350 7.5350 7.6221 7.6221 7.6799 7.6799 8.1735 8.1735 8.2072 8.2072 8.3332 8.3332 8.7089 8.7089 8.7118 8.7118 10.2516 10.2516 10.7155 10.7155 10.7197 10.7197 13.0502 13.0502 13.0583 13.0583 15.2189 15.2189 16.1096 16.1096 k = 0.1111 0.0642 0.0454 ( 2376 PWs) bands (ev): 2.7136 2.7136 4.1311 4.1311 4.1317 4.1317 4.4535 4.4535 4.4623 4.4623 4.4681 4.4681 7.3904 7.3904 7.4118 7.4118 7.5303 7.5303 7.6345 7.6345 7.6873 7.6873 8.1702 8.1702 8.2100 8.2100 8.3355 8.3355 8.6988 8.6988 8.7025 8.7025 10.1659 10.1659 10.7289 10.7289 10.7325 10.7325 13.0104 13.0104 13.0197 13.0197 15.1401 15.1401 16.1920 16.1920 k = 0.1222 0.0706 0.0499 ( 2370 PWs) bands (ev): 2.7485 2.7485 4.1327 4.1327 4.1334 4.1334 4.4550 4.4550 4.4654 4.4654 4.4690 4.4690 7.3832 7.3832 7.4064 7.4064 7.5247 7.5247 7.6469 7.6469 7.6952 7.6952 8.1665 8.1665 8.2126 8.2126 8.3384 8.3384 8.6879 8.6879 8.6925 8.6925 10.0746 10.0746 10.7430 10.7430 10.7460 10.7460 12.9705 12.9705 12.9808 12.9808 15.0626 15.0626 16.2794 16.2794 k = 0.1333 0.0770 0.0544 ( 2370 PWs) bands (ev): 2.7865 2.7865 4.1344 4.1344 4.1352 4.1352 4.4565 4.4565 4.4687 4.4687 4.4699 4.4699 7.3765 7.3765 7.4016 7.4016 7.5185 7.5185 7.6593 7.6593 7.7032 7.7032 8.1625 8.1625 8.2148 8.2148 8.3414 8.3414 8.6762 8.6762 8.6818 8.6818 9.9782 9.9782 10.7576 10.7576 10.7599 10.7599 12.9311 12.9311 12.9425 12.9425 14.9867 14.9867 16.3710 16.3710 k = 0.1444 0.0834 0.0590 ( 2379 PWs) bands (ev): 2.8276 2.8276 4.1361 4.1361 4.1370 4.1370 4.4581 4.4581 4.4710 4.4710 4.4722 4.4722 7.3704 7.3704 7.3971 7.3971 7.5115 7.5115 7.6714 7.6714 7.7113 7.7113 8.1581 8.1581 8.2166 8.2166 8.3448 8.3448 8.6638 8.6638 8.6705 8.6705 9.8776 9.8776 10.7723 10.7723 10.7741 10.7741 12.8930 12.8930 12.9053 12.9053 14.9127 14.9127 16.4661 16.4661 k = 0.1556 0.0898 0.0635 ( 2379 PWs) bands (ev): 2.8718 2.8718 4.1379 4.1379 4.1390 4.1390 4.4599 4.4599 4.4722 4.4722 4.4760 4.4760 7.3648 7.3648 7.3933 7.3933 7.5040 7.5040 7.6834 7.6834 7.7193 7.7193 8.1536 8.1536 8.2182 8.2182 8.3484 8.3484 8.6507 8.6507 8.6586 8.6586 9.7733 9.7733 10.7869 10.7869 10.7882 10.7882 12.8567 12.8567 12.8699 12.8699 14.8408 14.8408 16.5640 16.5640 k = 0.1667 0.0962 0.0680 ( 2370 PWs) bands (ev): 2.9190 2.9190 4.1400 4.1400 4.1412 4.1412 4.4620 4.4620 4.4736 4.4736 4.4800 4.4800 7.3598 7.3598 7.3899 7.3899 7.4962 7.4962 7.6953 7.6953 7.7272 7.7272 8.1488 8.1488 8.2194 8.2194 8.3521 8.3521 8.6372 8.6372 8.6464 8.6464 9.6662 9.6662 10.8012 10.8012 10.8020 10.8020 12.8229 12.8229 12.8369 12.8369 14.7709 14.7709 16.6532 16.6532 k = 0.1778 0.1026 0.0726 ( 2376 PWs) bands (ev): 2.9692 2.9692 4.1420 4.1420 4.1434 4.1434 4.4641 4.4641 4.4750 4.4750 4.4842 4.4842 7.3554 7.3554 7.3871 7.3871 7.4878 7.4878 7.7068 7.7068 7.7348 7.7348 8.1437 8.1437 8.2203 8.2203 8.3557 8.3557 8.6230 8.6230 8.6337 8.6337 9.5567 9.5567 10.8148 10.8148 10.8154 10.8154 12.7919 12.7919 12.8068 12.8068 14.7030 14.7030 16.6717 16.6717 k = 0.1889 0.1091 0.0771 ( 2382 PWs) bands (ev): 3.0223 3.0223 4.1442 4.1442 4.1455 4.1455 4.4663 4.4663 4.4765 4.4765 4.4884 4.4884 7.3516 7.3516 7.3848 7.3848 7.4790 7.4790 7.7180 7.7180 7.7419 7.7419 8.1384 8.1384 8.2209 8.2209 8.3592 8.3592 8.6084 8.6084 8.6206 8.6206 9.4458 9.4458 10.8275 10.8275 10.8279 10.8279 12.7643 12.7643 12.7801 12.7801 14.6371 14.6371 16.6470 16.6470 k = 0.2000 0.1155 0.0816 ( 2379 PWs) bands (ev): 3.0782 3.0782 4.1467 4.1467 4.1478 4.1478 4.4689 4.4689 4.4781 4.4781 4.4929 4.4929 7.3484 7.3484 7.3829 7.3829 7.4697 7.4697 7.7289 7.7289 7.7485 7.7485 8.1329 8.1329 8.2214 8.2214 8.3626 8.3626 8.5934 8.5934 8.6073 8.6073 9.3341 9.3341 10.8391 10.8391 10.8394 10.8394 12.7406 12.7406 12.7572 12.7572 14.5729 14.5729 16.5813 16.5813 k = 0.2111 0.1219 0.0862 ( 2385 PWs) bands (ev): 3.1367 3.1367 4.1492 4.1492 4.1501 4.1501 4.4715 4.4715 4.4798 4.4798 4.4974 4.4974 7.3458 7.3458 7.3811 7.3811 7.4599 7.4599 7.7394 7.7394 7.7546 7.7546 8.1271 8.1271 8.2217 8.2217 8.3652 8.3652 8.5782 8.5782 8.5937 8.5937 9.2222 9.2222 10.8492 10.8492 10.8496 10.8496 12.7210 12.7210 12.7385 12.7385 14.5102 14.5102 16.4840 16.4840 k = 0.2222 0.1283 0.0907 ( 2397 PWs) bands (ev): 3.1979 3.1979 4.1519 4.1519 4.1524 4.1524 4.4744 4.4744 4.4815 4.4815 4.5019 4.5019 7.3437 7.3437 7.3792 7.3792 7.4498 7.4498 7.7494 7.7494 7.7601 7.7601 8.1213 8.1213 8.2219 8.2219 8.3671 8.3671 8.5627 8.5627 8.5799 8.5799 9.1113 9.1113 10.8577 10.8577 10.8583 10.8583 12.7060 12.7060 12.7244 12.7244 14.4489 14.4489 16.3669 16.3669 k = 0.2333 0.1347 0.0953 ( 2397 PWs) bands (ev): 3.2616 3.2616 4.1547 4.1547 4.1550 4.1550 4.4775 4.4775 4.4833 4.4833 4.5067 4.5067 7.3423 7.3423 7.3764 7.3764 7.4397 7.4397 7.7591 7.7591 7.7649 7.7649 8.1153 8.1153 8.2221 8.2221 8.3678 8.3678 8.5470 8.5470 8.5662 8.5662 9.0023 9.0023 10.8644 10.8644 10.8654 10.8654 12.6957 12.6957 12.7151 12.7151 14.3887 14.3887 16.2390 16.2390 k = 0.2444 0.1411 0.0998 ( 2385 PWs) bands (ev): 3.3276 3.3276 4.1572 4.1572 4.1584 4.1584 4.4809 4.4809 4.4852 4.4852 4.5116 4.5116 7.3416 7.3416 7.3714 7.3714 7.4305 7.4305 7.7683 7.7683 7.7690 7.7690 8.1093 8.1093 8.2221 8.2221 8.3671 8.3671 8.5310 8.5310 8.5525 8.5525 8.8968 8.8968 10.8692 10.8692 10.8707 10.8707 12.6904 12.6904 12.7108 12.7108 14.3293 14.3293 16.1064 16.1064 k = 0.2556 0.1475 0.1043 ( 2382 PWs) bands (ev): 3.3958 3.3958 4.1595 4.1595 4.1622 4.1622 4.4845 4.4845 4.4873 4.4873 4.5165 4.5165 7.3413 7.3413 7.3623 7.3623 7.4237 7.4237 7.7724 7.7724 7.7771 7.7771 8.1032 8.1032 8.2220 8.2220 8.3639 8.3639 8.5138 8.5138 8.5387 8.5387 8.7970 8.7970 10.8719 10.8719 10.8741 10.8741 12.6901 12.6901 12.7116 12.7116 14.2705 14.2705 15.9731 15.9731 k = 0.2667 0.1540 0.1089 ( 2370 PWs) bands (ev): 3.4659 3.4659 4.1620 4.1620 4.1664 4.1664 4.4880 4.4880 4.4899 4.4899 4.5214 4.5214 7.3417 7.3417 7.3473 7.3473 7.4202 7.4202 7.7749 7.7749 7.7854 7.7854 8.0971 8.0971 8.2218 8.2218 8.3574 8.3574 8.4939 8.4939 8.5251 8.5251 8.7068 8.7068 10.8726 10.8726 10.8757 10.8757 12.6948 12.6948 12.7175 12.7175 14.2119 14.2119 15.8418 15.8418 k = 0.2778 0.1604 0.1134 ( 2376 PWs) bands (ev): 3.5376 3.5376 4.1643 4.1643 4.1712 4.1712 4.4906 4.4906 4.4935 4.4935 4.5262 4.5262 7.3256 7.3256 7.3425 7.3425 7.4198 7.4198 7.7764 7.7764 7.7932 7.7932 8.0909 8.0909 8.2210 8.2210 8.3456 8.3456 8.4678 8.4678 8.5116 8.5116 8.6329 8.6329 10.8712 10.8712 10.8754 10.8754 12.7045 12.7045 12.7284 12.7284 14.1533 14.1533 15.7144 15.7144 k = 0.2889 0.1668 0.1179 ( 2379 PWs) bands (ev): 3.6105 3.6105 4.1666 4.1666 4.1768 4.1768 4.4927 4.4927 4.4980 4.4980 4.5310 4.5310 7.2971 7.2971 7.3438 7.3438 7.4217 7.4217 7.7770 7.7770 7.8004 7.8004 8.0847 8.0847 8.2194 8.2194 8.3246 8.3246 8.4340 8.4340 8.4983 8.4983 8.5826 8.5826 10.8680 10.8680 10.8733 10.8733 12.7190 12.7190 12.7441 12.7441 14.0944 14.0944 15.5923 15.5923 k = 0.3000 0.1732 0.1225 ( 2385 PWs) bands (ev): 3.6840 3.6840 4.1688 4.1688 4.1838 4.1838 4.4946 4.4946 4.5033 4.5033 4.5357 4.5357 7.2615 7.2615 7.3455 7.3455 7.4252 7.4252 7.7765 7.7765 7.8071 7.8071 8.0786 8.0786 8.2150 8.2150 8.2908 8.2908 8.4005 8.4005 8.4851 8.4851 8.5546 8.5546 10.8631 10.8631 10.8696 10.8696 12.7381 12.7381 12.7644 12.7644 14.0350 14.0350 15.4765 15.4765 k = 0.3111 0.1796 0.1270 ( 2379 PWs) bands (ev): 3.7572 3.7572 4.1711 4.1711 4.1926 4.1926 4.4966 4.4966 4.5094 4.5094 4.5405 4.5405 7.2181 7.2181 7.3477 7.3477 7.4299 7.4299 7.7749 7.7749 7.8134 7.8134 8.0726 8.0726 8.2002 8.2002 8.2542 8.2542 8.3754 8.3754 8.4724 8.4724 8.5402 8.5402 10.8567 10.8567 10.8646 10.8646 12.7614 12.7614 12.7889 12.7889 13.9751 13.9751 15.3679 15.3679 k = 0.3222 0.1860 0.1315 ( 2382 PWs) bands (ev): 3.8286 3.8286 4.1732 4.1732 4.2043 4.2043 4.4985 4.4985 4.5164 4.5164 4.5450 4.5450 7.1661 7.1661 7.3502 7.3502 7.4355 7.4355 7.7722 7.7722 7.8191 7.8191 8.0667 8.0667 8.1625 8.1625 8.2364 8.2364 8.3564 8.3564 8.4601 8.4601 8.5329 8.5329 10.8490 10.8490 10.8583 10.8583 12.7885 12.7885 12.8173 12.8173 13.9146 13.9146 15.2669 15.2669 k = 0.3333 0.1925 0.1361 ( 2382 PWs) bands (ev): 3.8963 3.8963 4.1752 4.1752 4.2203 4.2203 4.5004 4.5004 4.5251 4.5251 4.5495 4.5495 7.1055 7.1055 7.3531 7.3531 7.4416 7.4416 7.7684 7.7684 7.8243 7.8243 8.0609 8.0609 8.1166 8.1166 8.2301 8.2301 8.3405 8.3405 8.4482 8.4482 8.5296 8.5296 10.8402 10.8402 10.8509 10.8509 12.8191 12.8191 12.8491 12.8491 13.8536 13.8536 15.1740 15.1740 k = 0.3444 0.1989 0.1406 ( 2382 PWs) bands (ev): 3.9571 3.9571 4.1772 4.1772 4.2427 4.2427 4.5021 4.5021 4.5362 4.5362 4.5537 4.5537 7.0361 7.0361 7.3562 7.3562 7.4483 7.4483 7.7635 7.7635 7.8291 7.8291 8.0552 8.0552 8.0746 8.0746 8.2260 8.2260 8.3265 8.3265 8.4368 8.4368 8.5287 8.5287 10.8307 10.8307 10.8429 10.8429 12.8526 12.8526 12.8838 12.8838 13.7925 13.7925 15.0892 15.0892 k = 0.3556 0.2053 0.1452 ( 2382 PWs) bands (ev): 4.0076 4.0076 4.1791 4.1791 4.2733 4.2733 4.5039 4.5039 4.5512 4.5512 4.5578 4.5578 6.9586 6.9586 7.3594 7.3594 7.4553 7.4553 7.7578 7.7578 7.8334 7.8334 8.0393 8.0393 8.0497 8.0497 8.2217 8.2217 8.3141 8.3141 8.4259 8.4259 8.5294 8.5294 10.8206 10.8206 10.8343 10.8343 12.8884 12.8884 12.9209 12.9209 13.7316 13.7316 15.0126 15.0126 k = 0.3667 0.2117 0.1497 ( 2388 PWs) bands (ev): 4.0459 4.0459 4.1808 4.1808 4.3113 4.3113 4.5055 4.5055 4.5616 4.5616 4.5725 4.5725 6.8737 6.8737 7.3628 7.3628 7.4625 7.4625 7.7516 7.7516 7.8373 7.8373 8.0111 8.0111 8.0443 8.0443 8.2161 8.2161 8.3036 8.3036 8.4156 8.4156 8.5312 8.5312 10.8102 10.8102 10.8253 10.8253 12.9261 12.9261 12.9597 12.9597 13.6714 13.6714 14.9440 14.9440 k = 0.3778 0.2181 0.1542 ( 2400 PWs) bands (ev): 4.0729 4.0729 4.1823 4.1823 4.3520 4.3520 4.5069 4.5069 4.5652 4.5652 4.6040 4.6040 6.7827 6.7827 7.3663 7.3663 7.4698 7.4698 7.7452 7.7452 7.8408 7.8408 7.9891 7.9891 8.0391 8.0391 8.2090 8.2090 8.2952 8.2952 8.4059 8.4059 8.5336 8.5336 10.7999 10.7999 10.8164 10.8164 12.9648 12.9648 12.9996 12.9996 13.6127 13.6127 14.8830 14.8830 k = 0.3889 0.2245 0.1588 ( 2397 PWs) bands (ev): 4.0914 4.0914 4.1838 4.1838 4.3885 4.3885 4.5084 4.5084 4.5686 4.5686 4.6495 4.6495 6.6868 6.6868 7.3698 7.3698 7.4771 7.4771 7.7391 7.7391 7.8440 7.8440 7.9724 7.9724 8.0341 8.0341 8.2004 8.2004 8.2890 8.2890 8.3969 8.3969 8.5365 8.5365 10.7897 10.7897 10.8075 10.8075 13.0040 13.0040 13.0399 13.0399 13.5561 13.5561 14.8293 14.8293 k = 0.4000 0.2309 0.1633 ( 2397 PWs) bands (ev): 4.1043 4.1043 4.1852 4.1852 4.4167 4.4167 4.5098 4.5098 4.5718 4.5718 4.7102 4.7102 6.5870 6.5870 7.3732 7.3732 7.4842 7.4842 7.7334 7.7334 7.8468 7.8468 7.9598 7.9598 8.0294 8.0294 8.1905 8.1905 8.2846 8.2846 8.3887 8.3887 8.5396 8.5396 10.7799 10.7799 10.7989 10.7989 13.0428 13.0428 13.0800 13.0800 13.5026 13.5026 14.7824 14.7824 k = 0.4111 0.2374 0.1678 ( 2391 PWs) bands (ev): 4.1136 4.1136 4.1865 4.1865 4.4366 4.4366 4.5111 4.5111 4.5747 4.5747 4.7837 4.7837 6.4844 6.4844 7.3765 7.3765 7.4909 7.4909 7.7285 7.7285 7.8494 7.8494 7.9505 7.9505 8.0249 8.0249 8.1800 8.1800 8.2817 8.2817 8.3813 8.3813 8.5429 8.5429 10.7706 10.7706 10.7908 10.7908 13.0803 13.0803 13.1190 13.1190 13.4529 13.4529 14.7419 14.7419 k = 0.4222 0.2438 0.1724 ( 2383 PWs) bands (ev): 4.1203 4.1203 4.1877 4.1877 4.4504 4.4504 4.5123 4.5123 4.5773 4.5773 4.8665 4.8665 6.3800 6.3800 7.3797 7.3797 7.4973 7.4973 7.7243 7.7243 7.8516 7.8516 7.9437 7.9437 8.0209 8.0209 8.1694 8.1694 8.2800 8.2800 8.3748 8.3748 8.5459 8.5459 10.7621 10.7621 10.7834 10.7834 13.1155 13.1155 13.1562 13.1562 13.4079 13.4079 14.7072 14.7072 k = 0.4333 0.2502 0.1769 ( 2383 PWs) bands (ev): 4.1254 4.1254 4.1887 4.1887 4.4600 4.4600 4.5134 4.5134 4.5796 4.5796 4.9553 4.9553 6.2746 6.2746 7.3825 7.3825 7.5030 7.5030 7.7209 7.7209 7.8536 7.8536 7.9386 7.9386 8.0172 8.0172 8.1591 8.1591 8.2788 8.2788 8.3690 8.3690 8.5489 8.5489 10.7545 10.7545 10.7767 10.7767 13.1472 13.1472 13.1907 13.1907 13.3688 13.3688 14.6781 14.6781 k = 0.4444 0.2566 0.1814 ( 2383 PWs) bands (ev): 4.1292 4.1292 4.1896 4.1896 4.4669 4.4669 4.5143 4.5143 4.5815 4.5815 5.0478 5.0478 6.1693 6.1693 7.3850 7.3850 7.5080 7.5080 7.7182 7.7182 7.8552 7.8552 7.9350 7.9350 8.0139 8.0139 8.1497 8.1497 8.2782 8.2782 8.3641 8.3641 8.5516 8.5516 10.7478 10.7478 10.7708 10.7708 13.1737 13.1737 13.2217 13.2217 13.3368 13.3368 14.6540 14.6540 k = 0.4556 0.2630 0.1860 ( 2377 PWs) bands (ev): 4.1322 4.1322 4.1903 4.1903 4.4718 4.4718 4.5150 4.5150 4.5831 4.5831 5.1420 5.1420 6.0651 6.0651 7.3872 7.3872 7.5123 7.5123 7.7163 7.7163 7.8566 7.8566 7.9324 7.9324 8.0111 8.0111 8.1415 8.1415 8.2778 8.2778 8.3601 8.3601 8.5539 8.5539 10.7422 10.7422 10.7659 10.7659 13.1930 13.1930 13.2484 13.2484 13.3138 13.3138 14.6348 14.6348 k = 0.4667 0.2694 0.1905 ( 2377 PWs) bands (ev): 4.1343 4.1343 4.1908 4.1908 4.4753 4.4753 4.5156 4.5156 4.5844 4.5844 5.2356 5.2356 5.9642 5.9642 7.3889 7.3889 7.5157 7.5157 7.7149 7.7149 7.8577 7.8577 7.9307 7.9307 8.0088 8.0088 8.1348 8.1348 8.2777 8.2777 8.3569 8.3569 8.5558 8.5558 10.7378 10.7378 10.7620 10.7620 13.2029 13.2029 13.2701 13.2701 13.3015 13.3015 14.6201 14.6201 k = 0.4778 0.2758 0.1951 ( 2377 PWs) bands (ev): 4.1357 4.1357 4.1912 4.1912 4.4776 4.4776 4.5160 4.5160 4.5853 4.5853 5.3241 5.3241 5.8705 5.8705 7.3901 7.3901 7.5181 7.5181 7.7139 7.7139 7.8585 7.8585 7.9295 7.9295 8.0072 8.0072 8.1298 8.1298 8.2776 8.2776 8.3547 8.3547 8.5571 8.5571 10.7346 10.7346 10.7592 10.7592 13.2045 13.2045 13.2861 13.2861 13.2985 13.2985 14.6097 14.6097 k = 0.4889 0.2823 0.1996 ( 2377 PWs) bands (ev): 4.1365 4.1365 4.1915 4.1915 4.4789 4.4789 4.5163 4.5163 4.5858 4.5858 5.3970 5.3970 5.7945 5.7945 7.3909 7.3909 7.5196 7.5196 7.7134 7.7134 7.8590 7.8590 7.9289 7.9289 8.0061 8.0061 8.1267 8.1267 8.2776 8.2776 8.3533 8.3533 8.5580 8.5580 10.7327 10.7327 10.7575 10.7575 13.2027 13.2027 13.2959 13.2959 13.2996 13.2996 14.6036 14.6036 k = 0.5000 0.2887 0.2041 ( 2362 PWs) bands (ev): 4.1370 4.1370 4.1917 4.1917 4.4794 4.4794 4.5165 4.5165 4.5861 4.5861 5.4286 5.4286 5.7618 5.7618 7.3912 7.3912 7.5201 7.5201 7.7133 7.7133 7.8592 7.8592 7.9288 7.9288 8.0059 8.0059 8.1257 8.1257 8.2776 8.2776 8.3529 8.3529 8.5584 8.5584 10.7321 10.7321 10.7569 10.7569 13.2016 13.2016 13.2992 13.2992 13.3004 13.3004 14.6015 14.6015 k = 0.5000 0.2887 0.2041 ( 2362 PWs) bands (ev): 4.1370 4.1370 4.1917 4.1917 4.4794 4.4794 4.5165 4.5165 4.5861 4.5861 5.4286 5.4286 5.7618 5.7618 7.3912 7.3912 7.5201 7.5201 7.7133 7.7133 7.8592 7.8592 7.9288 7.9288 8.0059 8.0059 8.1257 8.1257 8.2776 8.2776 8.3529 8.3529 8.5584 8.5584 10.7321 10.7321 10.7569 10.7569 13.2016 13.2016 13.2992 13.2992 13.3004 13.3004 14.6015 14.6015 k = 0.5039 0.2774 0.2105 ( 2377 PWs) bands (ev): 4.1369 4.1369 4.1915 4.1915 4.4792 4.4792 4.5164 4.5164 4.5858 4.5858 5.4288 5.4288 5.7639 5.7639 7.3913 7.3913 7.5199 7.5199 7.7134 7.7134 7.8592 7.8592 7.9277 7.9277 8.0070 8.0070 8.1263 8.1263 8.2775 8.2775 8.3528 8.3528 8.5584 8.5584 10.7302 10.7302 10.7554 10.7554 13.1997 13.1997 13.2973 13.2973 13.2992 13.2992 14.6085 14.6085 k = 0.5078 0.2661 0.2169 ( 2377 PWs) bands (ev): 4.1370 4.1370 4.1914 4.1914 4.4789 4.4789 4.5163 4.5163 4.5851 4.5851 5.4292 5.4292 5.7700 5.7700 7.3915 7.3915 7.5194 7.5194 7.7139 7.7139 7.8591 7.8591 7.9250 7.9250 8.0104 8.0104 8.1282 8.1282 8.2772 8.2772 8.3526 8.3526 8.5587 8.5587 10.7231 10.7231 10.7526 10.7526 13.1937 13.1937 13.2904 13.2904 13.2972 13.2972 14.6293 14.6293 k = 0.5117 0.2548 0.2233 ( 2377 PWs) bands (ev): 4.1372 4.1372 4.1911 4.1911 4.4783 4.4783 4.5162 4.5162 4.5841 4.5841 5.4299 5.4299 5.7801 5.7801 7.3917 7.3917 7.5186 7.5186 7.7148 7.7148 7.8590 7.8590 7.9212 7.9212 8.0155 8.0155 8.1312 8.1312 8.2768 8.2768 8.3524 8.3524 8.5593 8.5593 10.7084 10.7084 10.7512 10.7512 13.1825 13.1825 13.2799 13.2799 13.2943 13.2943 14.6632 14.6632 k = 0.5156 0.2436 0.2296 ( 2376 PWs) bands (ev): 4.1375 4.1375 4.1908 4.1908 4.4776 4.4776 4.5161 4.5161 4.5827 4.5827 5.4309 5.4309 5.7941 5.7941 7.3917 7.3917 7.5177 7.5177 7.7158 7.7158 7.8588 7.8588 7.9169 7.9169 8.0218 8.0218 8.1352 8.1352 8.2762 8.2762 8.3521 8.3521 8.5601 8.5601 10.6858 10.6858 10.7516 10.7516 13.1647 13.1647 13.2674 13.2674 13.2910 13.2910 14.7096 14.7096 k = 0.5195 0.2323 0.2360 ( 2380 PWs) bands (ev): 4.1378 4.1378 4.1903 4.1903 4.4766 4.4766 4.5159 4.5159 4.5809 4.5809 5.4322 5.4322 5.8120 5.8120 7.3911 7.3911 7.5171 7.5171 7.7170 7.7170 7.8585 7.8585 7.9128 7.9128 8.0289 8.0289 8.1400 8.1400 8.2755 8.2755 8.3518 8.3518 8.5612 8.5612 10.6564 10.6564 10.7532 10.7532 13.1389 13.1389 13.2542 13.2542 13.2881 13.2881 14.7672 14.7672 k = 0.5234 0.2210 0.2424 ( 2386 PWs) bands (ev): 4.1381 4.1381 4.1897 4.1897 4.4754 4.4754 4.5156 4.5156 4.5790 4.5790 5.4339 5.4339 5.8335 5.8335 7.3895 7.3895 7.5170 7.5170 7.7184 7.7184 7.8580 7.8580 7.9095 7.9095 8.0364 8.0364 8.1454 8.1454 8.2748 8.2748 8.3516 8.3516 8.5625 8.5625 10.6210 10.6210 10.7556 10.7556 13.1048 13.1048 13.2407 13.2407 13.2862 13.2862 14.8347 14.8347 k = 0.5273 0.2097 0.2488 ( 2386 PWs) bands (ev): 4.1385 4.1385 4.1891 4.1891 4.4741 4.4741 4.5154 4.5154 4.5768 4.5768 5.4360 5.4360 5.8585 5.8585 7.3865 7.3865 7.5179 7.5179 7.7197 7.7197 7.8572 7.8572 7.9076 7.9076 8.0442 8.0442 8.1511 8.1511 8.2743 8.2743 8.3517 8.3517 8.5641 8.5641 10.5803 10.5803 10.7588 10.7588 13.0626 13.0626 13.2267 13.2267 13.2861 13.2861 14.9104 14.9104 k = 0.5312 0.1985 0.2552 ( 2380 PWs) bands (ev): 4.1390 4.1390 4.1885 4.1885 4.4726 4.4726 4.5153 4.5153 4.5746 4.5746 5.4384 5.4384 5.8867 5.8867 7.3815 7.3815 7.5202 7.5202 7.7209 7.7209 7.8556 7.8556 7.9079 7.9079 8.0521 8.0521 8.1569 8.1569 8.2739 8.2739 8.3521 8.3521 8.5660 8.5660 10.5351 10.5351 10.7625 10.7625 13.0134 13.0134 13.2119 13.2119 13.2879 13.2879 14.9925 14.9925 k = 0.5352 0.1872 0.2615 ( 2378 PWs) bands (ev): 4.1395 4.1395 4.1878 4.1878 4.4710 4.4710 4.5151 4.5151 4.5724 4.5724 5.4413 5.4413 5.9181 5.9181 7.3744 7.3744 7.5240 7.5240 7.7218 7.7218 7.8534 7.8534 7.9105 7.9105 8.0600 8.0600 8.1623 8.1623 8.2739 8.2739 8.3530 8.3530 8.5682 8.5682 10.4859 10.4859 10.7666 10.7666 12.9578 12.9578 13.1961 13.1961 13.2919 13.2919 15.0775 15.0775 k = 0.5391 0.1759 0.2679 ( 2384 PWs) bands (ev): 4.1398 4.1398 4.1869 4.1869 4.4693 4.4693 4.5149 4.5149 4.5701 4.5701 5.4446 5.4446 5.9523 5.9523 7.3649 7.3649 7.5296 7.5296 7.7225 7.7225 7.8504 7.8504 7.9156 7.9156 8.0677 8.0677 8.1670 8.1670 8.2743 8.2743 8.3545 8.3545 8.5707 8.5707 10.4333 10.4333 10.7712 10.7712 12.8966 12.8966 13.1793 13.1793 13.2981 13.2981 15.1594 15.1594 k = 0.5430 0.1646 0.2743 ( 2376 PWs) bands (ev): 4.1402 4.1402 4.1861 4.1861 4.4675 4.4675 4.5148 4.5148 4.5680 4.5680 5.4485 5.4485 5.9892 5.9892 7.3530 7.3530 7.5369 7.5369 7.7230 7.7230 7.8470 7.8470 7.9232 7.9232 8.0754 8.0754 8.1708 8.1708 8.2754 8.2754 8.3569 8.3569 8.5735 8.5735 10.3779 10.3779 10.7762 10.7762 12.8306 12.8306 13.1617 13.1617 13.3062 13.3062 15.2241 15.2241 k = 0.5469 0.1534 0.2807 ( 2374 PWs) bands (ev): 4.1405 4.1405 4.1852 4.1852 4.4658 4.4658 4.5146 4.5146 4.5660 4.5660 5.4528 5.4528 6.0284 6.0284 7.3388 7.3388 7.5457 7.5457 7.7232 7.7232 7.8434 7.8434 7.9329 7.9329 8.0827 8.0827 8.1736 8.1736 8.2771 8.2771 8.3602 8.3602 8.5768 8.5768 10.3201 10.3201 10.7815 10.7815 12.7604 12.7604 13.1436 13.1436 13.3164 13.3164 15.2475 15.2475 k = 0.5508 0.1421 0.2870 ( 2371 PWs) bands (ev): 4.1407 4.1407 4.1843 4.1843 4.4642 4.4642 4.5144 4.5144 4.5642 4.5642 5.4577 5.4577 6.0698 6.0698 7.3226 7.3226 7.5557 7.5557 7.7233 7.7233 7.8397 7.8397 7.9445 7.9445 8.0898 8.0898 8.1752 8.1752 8.2794 8.2794 8.3646 8.3646 8.5804 8.5804 10.2605 10.2605 10.7871 10.7871 12.6868 12.6868 13.1252 13.1252 13.3283 13.3283 15.2238 15.2238 k = 0.5547 0.1308 0.2934 ( 2373 PWs) bands (ev): 4.1407 4.1407 4.1833 4.1833 4.4625 4.4625 4.5141 4.5141 4.5626 4.5626 5.4630 5.4630 6.1130 6.1130 7.3045 7.3045 7.5668 7.5668 7.7234 7.7234 7.8361 7.8361 7.9576 7.9576 8.0963 8.0963 8.1758 8.1758 8.2824 8.2824 8.3701 8.3701 8.5845 8.5845 10.1993 10.1993 10.7928 10.7928 12.6103 12.6103 13.1067 13.1067 13.3420 13.3420 15.1737 15.1737 k = 0.5586 0.1195 0.2998 ( 2369 PWs) bands (ev): 4.1406 4.1406 4.1824 4.1824 4.4611 4.4611 4.5138 4.5138 4.5611 4.5611 5.4690 5.4690 6.1578 6.1578 7.2848 7.2848 7.5787 7.5787 7.7237 7.7237 7.8328 7.8328 7.9720 7.9720 8.1025 8.1025 8.1757 8.1757 8.2860 8.2860 8.3766 8.3766 8.5891 8.5891 10.1371 10.1371 10.7987 10.7987 12.5317 12.5317 13.0885 13.0885 13.3573 13.3573 15.1123 15.1123 k = 0.5625 0.1083 0.3062 ( 2369 PWs) bands (ev): 4.1402 4.1402 4.1815 4.1815 4.4597 4.4597 4.5134 4.5134 4.5600 4.5600 5.4755 5.4755 6.2038 6.2038 7.2635 7.2635 7.5910 7.5910 7.7244 7.7244 7.8297 7.8297 7.9873 7.9873 8.1080 8.1080 8.1751 8.1751 8.2902 8.2902 8.3840 8.3840 8.5942 8.5942 10.0741 10.0741 10.8047 10.8047 12.4515 12.4515 13.0708 13.0708 13.3740 13.3740 15.0462 15.0462 k = 0.5664 0.0970 0.3126 ( 2374 PWs) bands (ev): 4.1396 4.1396 4.1806 4.1806 4.4585 4.4585 4.5129 4.5129 4.5590 4.5590 5.4825 5.4825 6.2507 6.2507 7.2409 7.2409 7.6033 7.6033 7.7257 7.7257 7.8270 7.8270 8.0029 8.0029 8.1129 8.1129 8.1748 8.1748 8.2950 8.2950 8.3922 8.3922 8.5998 8.5998 10.0107 10.0107 10.8106 10.8106 12.3706 12.3706 13.0539 13.0539 13.3919 13.3919 14.9781 14.9781 k = 0.5703 0.0857 0.3189 ( 2376 PWs) bands (ev): 4.1388 4.1388 4.1798 4.1798 4.4576 4.4576 4.5124 4.5124 4.5583 4.5583 5.4901 5.4901 6.2981 6.2981 7.2172 7.2172 7.6154 7.6154 7.7279 7.7279 7.8248 7.8248 8.0181 8.0181 8.1170 8.1170 8.1755 8.1755 8.3005 8.3005 8.4009 8.4009 8.6061 8.6061 9.9473 9.9473 10.8165 10.8165 12.2895 12.2895 13.0381 13.0381 13.4109 13.4109 14.9096 14.9096 k = 0.5742 0.0744 0.3253 ( 2376 PWs) bands (ev): 4.1377 4.1377 4.1791 4.1791 4.4568 4.4568 4.5118 4.5118 4.5579 4.5579 5.4982 5.4982 6.3458 6.3458 7.1926 7.1926 7.6267 7.6267 7.7313 7.7313 7.8232 7.8232 8.0322 8.0322 8.1200 8.1200 8.1786 8.1786 8.3069 8.3069 8.4098 8.4098 8.6130 8.6130 9.8841 9.8841 10.8222 10.8222 12.2088 12.2088 13.0235 13.0235 13.4307 13.4307 14.8415 14.8415 k = 0.5781 0.0631 0.3317 ( 2376 PWs) bands (ev): 4.1364 4.1364 4.1785 4.1785 4.4562 4.4562 4.5111 4.5111 4.5577 4.5577 5.5067 5.5067 6.3931 6.3931 7.1672 7.1672 7.6369 7.6369 7.7362 7.7362 7.8223 7.8223 8.0443 8.0443 8.1213 8.1213 8.1853 8.1853 8.3140 8.3140 8.4189 8.4189 8.6205 8.6205 9.8216 9.8216 10.8276 10.8276 12.1291 12.1291 13.0106 13.0106 13.4511 13.4511 14.7746 14.7746 k = 0.5820 0.0519 0.3381 ( 2370 PWs) bands (ev): 4.1348 4.1348 4.1780 4.1780 4.4559 4.4559 4.5104 4.5104 4.5578 4.5578 5.5156 5.5156 6.4397 6.4397 7.1414 7.1414 7.6456 7.6456 7.7427 7.7427 7.8223 7.8223 8.0537 8.0537 8.1206 8.1206 8.1967 8.1967 8.3221 8.3221 8.4279 8.4279 8.6285 8.6285 9.7601 9.7601 10.8326 10.8326 12.0511 12.0511 12.9994 12.9994 13.4717 13.4717 14.7093 14.7093 k = 0.5859 0.0406 0.3445 ( 2370 PWs) bands (ev): 4.1330 4.1330 4.1776 4.1776 4.4557 4.4557 4.5096 4.5096 4.5580 4.5580 5.5247 5.5247 6.4851 6.4851 7.1153 7.1153 7.6527 7.6527 7.7505 7.7505 7.8234 7.8234 8.0602 8.0602 8.1180 8.1180 8.2128 8.2128 8.3310 8.3310 8.4368 8.4368 8.6370 8.6370 9.7000 9.7000 10.8372 10.8372 11.9751 11.9751 12.9903 12.9903 13.4921 13.4921 14.6465 14.6465 k = 0.5898 0.0293 0.3508 ( 2366 PWs) bands (ev): 4.1310 4.1310 4.1772 4.1772 4.4556 4.4556 4.5089 4.5089 4.5584 4.5584 5.5340 5.5340 6.5285 6.5285 7.0894 7.0894 7.6582 7.6582 7.7590 7.7590 7.8262 7.8262 8.0642 8.0642 8.1140 8.1140 8.2328 8.2328 8.3408 8.3408 8.4456 8.4456 8.6458 8.6458 9.6420 9.6420 10.8413 10.8413 11.9017 11.9017 12.9834 12.9834 13.5119 13.5119 14.5865 14.5865 k = 0.5938 0.0180 0.3572 ( 2373 PWs) bands (ev): 4.1287 4.1287 4.1769 4.1769 4.4556 4.4556 4.5080 4.5080 4.5590 4.5590 5.5433 5.5433 6.5693 6.5693 7.0642 7.0642 7.6624 7.6624 7.7675 7.7675 7.8309 7.8309 8.0662 8.0662 8.1089 8.1089 8.2556 8.2556 8.3514 8.3514 8.4544 8.4544 8.6545 8.6545 9.5865 9.5865 10.8447 10.8447 11.8314 11.8314 12.9789 12.9789 13.5305 13.5305 14.5303 14.5303 k = 0.5977 0.0068 0.3636 ( 2370 PWs) bands (ev): 4.1263 4.1263 4.1767 4.1767 4.4558 4.4558 4.5073 4.5073 4.5597 4.5597 5.5524 5.5524 6.6065 6.6065 7.0404 7.0404 7.6656 7.6656 7.7751 7.7751 7.8382 7.8382 8.0667 8.0667 8.1029 8.1029 8.2798 8.2798 8.3630 8.3630 8.4639 8.4639 8.6630 8.6630 9.5344 9.5344 10.8473 10.8473 11.7644 11.7644 12.9770 12.9770 13.5472 13.5472 14.4786 14.4786 k = 0.6016-0.0045 0.3700 ( 2372 PWs) bands (ev): 4.1237 4.1237 4.1765 4.1765 4.4560 4.4560 4.5066 4.5066 4.5604 4.5604 5.5611 5.5611 6.6390 6.6390 7.0191 7.0191 7.6682 7.6682 7.7814 7.7814 7.8480 7.8480 8.0663 8.0663 8.0964 8.0964 8.3042 8.3042 8.3753 8.3753 8.4744 8.4744 8.6710 8.6710 9.4865 9.4865 10.8491 10.8491 11.7010 11.7010 12.9778 12.9778 13.5612 13.5612 14.4324 14.4324 k = 0.6055-0.0158 0.3764 ( 2372 PWs) bands (ev): 4.1211 4.1211 4.1765 4.1765 4.4562 4.4562 4.5059 4.5059 4.5611 4.5611 5.5691 5.5691 6.6652 6.6652 7.0017 7.0017 7.6702 7.6702 7.7863 7.7863 7.8600 7.8600 8.0652 8.0652 8.0894 8.0894 8.3273 8.3273 8.3880 8.3880 8.4870 8.4870 8.6781 8.6781 9.4438 9.4438 10.8499 10.8499 11.6416 11.6416 12.9814 12.9814 13.5716 13.5716 14.3929 14.3929 k = 0.6094-0.0271 0.3827 ( 2368 PWs) bands (ev): 4.1184 4.1184 4.1764 4.1764 4.4565 4.4565 4.5054 4.5054 4.5620 4.5620 5.5760 5.5760 6.6834 6.6834 6.9899 6.9899 7.6718 7.6718 7.7904 7.7904 7.8734 7.8734 8.0635 8.0635 8.0825 8.0825 8.3480 8.3480 8.4004 8.4004 8.5022 8.5022 8.6848 8.6848 9.4072 9.4072 10.8497 10.8497 11.5863 11.5863 12.9878 12.9878 13.5775 13.5775 14.3609 14.3609 k = 0.6133-0.0383 0.3891 ( 2364 PWs) bands (ev): 4.1157 4.1157 4.1765 4.1765 4.4567 4.4567 4.5049 4.5049 4.5628 4.5628 5.5816 5.5816 6.6922 6.6922 6.9852 6.9852 7.6732 7.6732 7.7939 7.7939 7.8875 7.8875 8.0610 8.0610 8.0758 8.0758 8.3656 8.3656 8.4118 8.4118 8.5195 8.5195 8.6918 8.6918 9.3778 9.3778 10.8484 10.8484 11.5352 11.5352 12.9971 12.9971 13.5782 13.5782 14.3374 14.3374 k = 0.6172-0.0496 0.3955 ( 2358 PWs) bands (ev): 4.1129 4.1129 4.1765 4.1765 4.4569 4.4569 4.5046 4.5046 4.5636 4.5636 5.5853 5.5853 6.6913 6.6913 6.9882 6.9882 7.6745 7.6745 7.7973 7.7973 7.9017 7.9017 8.0574 8.0574 8.0704 8.0704 8.3803 8.3803 8.4217 8.4217 8.5365 8.5365 8.7014 8.7014 9.3563 9.3563 10.8459 10.8459 11.4885 11.4885 13.0091 13.0091 13.5733 13.5733 14.3230 14.3230 k = 0.6211-0.0609 0.4019 ( 2364 PWs) bands (ev): 4.1102 4.1102 4.1765 4.1765 4.4569 4.4569 4.5042 4.5042 4.5643 4.5643 5.5867 5.5867 6.6821 6.6821 6.9977 6.9977 7.6755 7.6755 7.8006 7.8006 7.9154 7.9154 8.0523 8.0523 8.0667 8.0667 8.3919 8.3919 8.4307 8.4307 8.5486 8.5486 8.7169 8.7169 9.3432 9.3432 10.8421 10.8421 11.4459 11.4459 13.0239 13.0239 13.5630 13.5630 14.3110 14.3110 k = 0.6250-0.0722 0.4082 ( 2364 PWs) bands (ev): 4.1075 4.1075 4.1766 4.1766 4.4569 4.4569 4.5040 4.5040 4.5649 4.5649 5.5853 5.5853 6.6667 6.6667 7.0121 7.0121 7.6765 7.6765 7.8041 7.8041 7.9279 7.9279 8.0465 8.0465 8.0645 8.0645 8.4003 8.4003 8.4396 8.4396 8.5524 8.5524 8.7410 8.7410 9.3387 9.3387 10.8370 10.8370 11.4076 11.4076 13.0412 13.0412 13.5481 13.5481 14.2516 14.2516 k = 0.6250-0.0722 0.4082 ( 2364 PWs) bands (ev): 4.1075 4.1075 4.1766 4.1766 4.4569 4.4569 4.5040 4.5040 4.5649 4.5649 5.5853 5.5853 6.6667 6.6667 7.0121 7.0121 7.6765 7.6765 7.8041 7.8041 7.9279 7.9279 8.0465 8.0465 8.0645 8.0645 8.4003 8.4003 8.4396 8.4396 8.5524 8.5524 8.7410 8.7410 9.3387 9.3387 10.8370 10.8370 11.4076 11.4076 13.0412 13.0412 13.5481 13.5481 14.2516 14.2516 k = 0.6181-0.0682 0.4196 ( 2367 PWs) bands (ev): 4.1076 4.1076 4.1765 4.1765 4.4566 4.4566 4.5043 4.5043 4.5648 4.5648 5.5856 5.5856 6.6670 6.6670 7.0115 7.0115 7.6771 7.6771 7.8035 7.8035 7.9298 7.9298 8.0445 8.0445 8.0669 8.0669 8.3993 8.3993 8.4379 8.4379 8.5535 8.5535 8.7431 8.7431 9.3389 9.3389 10.8158 10.8158 11.4275 11.4275 13.0402 13.0402 13.5470 13.5470 14.2135 14.2135 k = 0.6111-0.0642 0.4309 ( 2364 PWs) bands (ev): 4.1083 4.1083 4.1763 4.1763 4.4559 4.4559 4.5051 4.5051 4.5645 4.5645 5.5868 5.5868 6.6681 6.6681 7.0097 7.0097 7.6789 7.6789 7.8018 7.8018 7.9354 7.9354 8.0403 8.0403 8.0724 8.0724 8.3957 8.3957 8.4337 8.4337 8.5568 8.5568 8.7493 8.7493 9.3394 9.3394 10.7593 10.7593 11.4800 11.4800 13.0372 13.0372 13.5440 13.5440 14.1519 14.1519 k = 0.6042-0.0601 0.4423 ( 2364 PWs) bands (ev): 4.1092 4.1092 4.1760 4.1760 4.4548 4.4548 4.5063 4.5063 4.5640 4.5640 5.5886 5.5886 6.6698 6.6698 7.0066 7.0066 7.6818 7.6818 7.7995 7.7995 7.9439 7.9439 8.0357 8.0357 8.0793 8.0793 8.3883 8.3883 8.4295 8.4295 8.5615 8.5615 8.7593 8.7593 9.3402 9.3402 10.6804 10.6804 11.5524 11.5524 13.0321 13.0321 13.5389 13.5389 14.0866 14.0866 k = 0.5972-0.0561 0.4536 ( 2360 PWs) bands (ev): 4.1105 4.1105 4.1757 4.1757 4.4533 4.4533 4.5080 4.5080 4.5633 4.5633 5.5912 5.5912 6.6724 6.6724 7.0024 7.0024 7.6857 7.6857 7.7975 7.7975 7.9540 7.9540 8.0316 8.0316 8.0870 8.0870 8.3764 8.3764 8.4270 8.4270 8.5673 8.5673 8.7724 8.7724 9.3413 9.3413 10.5886 10.5886 11.6351 11.6351 13.0250 13.0250 13.5320 13.5320 14.0208 14.0208 k = 0.5903-0.0521 0.4649 ( 2360 PWs) bands (ev): 4.1122 4.1122 4.1751 4.1751 4.4516 4.4516 4.5099 4.5099 4.5624 4.5624 5.5945 5.5945 6.6757 6.6757 6.9970 6.9970 7.6902 7.6902 7.7962 7.7962 7.9645 7.9645 8.0286 8.0286 8.0957 8.0957 8.3608 8.3608 8.4264 8.4264 8.5741 8.5741 8.7880 8.7880 9.3428 9.3428 10.4895 10.4895 11.7228 11.7228 13.0159 13.0159 13.5233 13.5233 13.9556 13.9556 k = 0.5833-0.0481 0.4763 ( 2364 PWs) bands (ev): 4.1141 4.1141 4.1745 4.1745 4.4498 4.4498 4.5120 4.5120 4.5613 4.5613 5.5983 5.5983 6.6798 6.6798 6.9906 6.9906 7.6949 7.6949 7.7962 7.7962 7.9735 7.9735 8.0277 8.0277 8.1051 8.1051 8.3429 8.3429 8.4270 8.4270 8.5821 8.5821 8.8055 8.8055 9.3445 9.3445 10.3861 10.3861 11.8123 11.8123 13.0047 13.0047 13.5130 13.5130 13.8920 13.8920 k = 0.5764-0.0441 0.4876 ( 2364 PWs) bands (ev): 4.1163 4.1163 4.1737 4.1737 4.4478 4.4478 4.5144 4.5144 4.5601 4.5601 5.6027 5.6027 6.6848 6.6848 6.9831 6.9831 7.6996 7.6996 7.7980 7.7980 7.9795 7.9795 8.0299 8.0299 8.1152 8.1152 8.3238 8.3238 8.4286 8.4286 8.5915 8.5915 8.8243 8.8243 9.3465 9.3465 10.2805 10.2805 11.9021 11.9021 12.9915 12.9915 13.5013 13.5013 13.8308 13.8308 k = 0.5694-0.0401 0.4990 ( 2368 PWs) bands (ev): 4.1187 4.1187 4.1727 4.1727 4.4459 4.4459 4.5168 4.5168 4.5587 4.5587 5.6076 5.6076 6.6907 6.6907 6.9746 6.9746 7.7039 7.7039 7.8019 7.8019 7.9818 7.9818 8.0351 8.0351 8.1258 8.1258 8.3044 8.3044 8.4306 8.4306 8.6028 8.6028 8.8440 8.8440 9.3488 9.3488 10.1739 10.1739 11.9909 11.9909 12.9762 12.9762 13.4885 13.4885 13.7726 13.7726 k = 0.5625-0.0361 0.5103 ( 2371 PWs) bands (ev): 4.1213 4.1213 4.1717 4.1717 4.4439 4.4439 4.5193 4.5193 4.5572 4.5572 5.6129 5.6129 6.6975 6.6975 6.9652 6.9652 7.7075 7.7075 7.8079 7.8079 7.9813 7.9813 8.0421 8.0421 8.1363 8.1363 8.2856 8.2856 8.4330 8.4330 8.6165 8.6165 8.8641 8.8641 9.3513 9.3513 10.0674 10.0674 12.0779 12.0779 12.9587 12.9587 13.4750 13.4750 13.7182 13.7182 k = 0.5556-0.0321 0.5217 ( 2373 PWs) bands (ev): 4.1241 4.1241 4.1705 4.1705 4.4422 4.4422 4.5218 4.5218 4.5555 4.5555 5.6184 5.6184 6.7053 6.7053 6.9549 6.9549 7.7103 7.7103 7.8159 7.8159 7.9791 7.9791 8.0494 8.0494 8.1455 8.1455 8.2684 8.2684 8.4355 8.4355 8.6333 8.6333 8.8842 8.8842 9.3540 9.3540 9.9623 9.9623 12.1625 12.1625 12.9390 12.9390 13.4610 13.4610 13.6679 13.6679 k = 0.5486-0.0281 0.5330 ( 2375 PWs) bands (ev): 4.1268 4.1268 4.1692 4.1692 4.4405 4.4405 4.5243 4.5243 4.5538 4.5538 5.6241 5.6241 6.7140 6.7140 6.9439 6.9439 7.7124 7.7124 7.8254 7.8254 7.9764 7.9764 8.0563 8.0563 8.1521 8.1521 8.2543 8.2543 8.4380 8.4380 8.6534 8.6534 8.9038 8.9038 9.3568 9.3568 9.8596 9.8596 12.2440 12.2440 12.9169 12.9169 13.4471 13.4471 13.6225 13.6225 k = 0.5417-0.0241 0.5443 ( 2367 PWs) bands (ev): 4.1298 4.1298 4.1678 4.1678 4.4391 4.4391 4.5269 4.5269 4.5521 4.5521 5.6298 5.6298 6.7237 6.7237 6.9322 6.9322 7.7140 7.7140 7.8360 7.8360 7.9734 7.9734 8.0622 8.0622 8.1542 8.1542 8.2447 8.2447 8.4404 8.4404 8.6774 8.6774 8.9220 8.9220 9.3596 9.3596 9.7608 9.7608 12.3218 12.3218 12.8923 12.8923 13.4336 13.4336 13.5823 13.5823 k = 0.5347-0.0200 0.5557 ( 2367 PWs) bands (ev): 4.1326 4.1326 4.1663 4.1663 4.4378 4.4378 4.5293 4.5293 4.5502 4.5502 5.6353 5.6353 6.7342 6.7342 6.9198 6.9198 7.7151 7.7151 7.8469 7.8469 7.9706 7.9706 8.0670 8.0670 8.1513 8.1513 8.2402 8.2402 8.4425 8.4425 8.7052 8.7052 8.9378 8.9378 9.3620 9.3620 9.6679 9.6679 12.3955 12.3955 12.8651 12.8651 13.4211 13.4211 13.5477 13.5477 k = 0.5278-0.0160 0.5670 ( 2364 PWs) bands (ev): 4.1353 4.1353 4.1648 4.1648 4.4368 4.4368 4.5317 4.5317 4.5483 4.5483 5.6404 5.6404 6.7454 6.7454 6.9072 6.9072 7.7160 7.7160 7.8574 7.8574 7.9682 7.9682 8.0707 8.0707 8.1448 8.1448 8.2396 8.2396 8.4443 8.4443 8.7368 8.7368 8.9496 8.9496 9.3635 9.3635 9.5840 9.5840 12.4644 12.4644 12.8351 12.8351 13.4100 13.4100 13.5192 13.5192 k = 0.5208-0.0120 0.5784 ( 2368 PWs) bands (ev): 4.1377 4.1377 4.1633 4.1633 4.4360 4.4360 4.5340 4.5340 4.5463 4.5463 5.6449 5.6449 6.7568 6.7568 6.8946 6.8946 7.7166 7.7166 7.8666 7.8666 7.9662 7.9662 8.0730 8.0730 8.1375 8.1375 8.2408 8.2408 8.4457 8.4457 8.7719 8.7719 8.9545 8.9545 9.3628 9.3628 9.5137 9.5137 12.5281 12.5281 12.8023 12.8023 13.4007 13.4007 13.4970 13.4970 k = 0.5139-0.0080 0.5897 ( 2364 PWs) bands (ev): 4.1398 4.1398 4.1619 4.1619 4.4354 4.4354 4.5363 4.5363 4.5444 4.5444 5.6485 5.6485 6.7676 6.7676 6.8829 6.8829 7.7171 7.7171 7.8738 7.8738 7.9650 7.9650 8.0741 8.0741 8.1314 8.1314 8.2423 8.2423 8.4466 8.4466 8.8097 8.8097 8.9490 8.9490 9.3581 9.3581 9.4638 9.4638 12.5862 12.5862 12.7664 12.7664 13.3938 13.3938 13.4814 13.4814 k = 0.5069-0.0040 0.6010 ( 2354 PWs) bands (ev): 4.1412 4.1412 4.1610 4.1610 4.4352 4.4352 4.5385 4.5385 4.5425 4.5425 5.6509 5.6509 6.7762 6.7762 6.8738 6.8738 7.7175 7.7175 7.8783 7.8783 7.9644 7.9644 8.0744 8.0744 8.1277 8.1277 8.2434 8.2434 8.4472 8.4472 8.8490 8.8490 8.9301 8.9301 9.3497 9.3497 9.4384 9.4384 12.6383 12.6383 12.7276 12.7276 13.3894 13.3894 13.4723 13.4723 k = 0.5000-0.0000 0.6124 ( 2352 PWs) bands (ev): 4.1417 4.1417 4.1607 4.1607 4.4351 4.4351 4.5402 4.5402 4.5409 4.5409 5.6518 5.6518 6.7797 6.7797 6.8701 6.8701 7.7176 7.7176 7.8798 7.8798 7.9643 7.9643 8.0743 8.0743 8.1265 8.1265 8.2437 8.2437 8.4475 8.4475 8.8794 8.8794 8.9061 8.9061 9.3451 9.3451 9.4320 9.4320 12.6796 12.6796 12.6907 12.6907 13.3879 13.3879 13.4694 13.4694 k = 0.5000-0.0000 0.6124 ( 2352 PWs) bands (ev): 4.1417 4.1417 4.1607 4.1607 4.4351 4.4351 4.5402 4.5402 4.5409 4.5409 5.6518 5.6518 6.7797 6.7797 6.8701 6.8701 7.7176 7.7176 7.8798 7.8798 7.9643 7.9643 8.0743 8.0743 8.1265 8.1265 8.2437 8.2437 8.4475 8.4475 8.8794 8.8794 8.9061 8.9061 9.3451 9.3451 9.4320 9.4320 12.6796 12.6796 12.6907 12.6907 13.3879 13.3879 13.4694 13.4694 k = 0.5000 0.0080 0.6010 ( 2352 PWs) bands (ev): 4.1417 4.1417 4.1608 4.1608 4.4352 4.4352 4.5397 4.5397 4.5413 4.5413 5.6509 5.6509 6.7800 6.7800 6.8701 6.8701 7.7171 7.7171 7.8798 7.8798 7.9642 7.9642 8.0740 8.0740 8.1264 8.1264 8.2422 8.2422 8.4470 8.4470 8.8722 8.8722 8.8986 8.8986 9.3546 9.3546 9.4421 9.4421 12.6757 12.6757 12.6894 12.6894 13.3909 13.3909 13.4757 13.4757 k = 0.5000 0.0160 0.5897 ( 2362 PWs) bands (ev): 4.1417 4.1417 4.1609 4.1609 4.4352 4.4352 4.5388 4.5388 4.5419 4.5419 5.6482 5.6482 6.7802 6.7802 6.8706 6.8706 7.7156 7.7156 7.8799 7.8799 7.9638 7.9638 8.0730 8.0730 8.1258 8.1258 8.2378 8.2378 8.4456 8.4456 8.8464 8.8464 8.8847 8.8847 9.3762 9.3762 9.4744 9.4744 12.6593 12.6593 12.6911 12.6911 13.3971 13.3971 13.4963 13.4963 k = 0.5000 0.0241 0.5784 ( 2368 PWs) bands (ev): 4.1417 4.1417 4.1612 4.1612 4.4355 4.4355 4.5379 4.5379 4.5424 4.5424 5.6437 5.6437 6.7793 6.7793 6.8725 6.8725 7.7131 7.7131 7.8800 7.8800 7.9631 7.9631 8.0710 8.0710 8.1247 8.1247 8.2309 8.2309 8.4433 8.4433 8.8060 8.8060 8.8702 8.8702 9.4003 9.4003 9.5294 9.5294 12.6324 12.6324 12.6965 12.6965 13.4018 13.4018 13.5333 13.5333 k = 0.5000 0.0321 0.5670 ( 2368 PWs) bands (ev): 4.1417 4.1417 4.1617 4.1617 4.4359 4.4359 4.5369 4.5369 4.5430 4.5430 5.6377 5.6377 6.7756 6.7756 6.8773 6.8773 7.7098 7.7098 7.8801 7.8801 7.9621 7.9621 8.0677 8.0677 8.1232 8.1232 8.2220 8.2220 8.4401 8.4401 8.7606 8.7606 8.8535 8.8535 9.4252 9.4252 9.6005 9.6005 12.5992 12.5992 12.7045 12.7045 13.4038 13.4038 13.5850 13.5850 k = 0.5000 0.0401 0.5557 ( 2364 PWs) bands (ev): 4.1418 4.1418 4.1624 4.1624 4.4364 4.4364 4.5358 4.5358 4.5436 4.5436 5.6303 5.6303 6.7677 6.7677 6.8861 6.8861 7.7058 7.7058 7.8801 7.8801 7.9606 7.9606 8.0622 8.0622 8.1210 8.1210 8.2122 8.2122 8.4359 8.4359 8.7155 8.7155 8.8345 8.8345 9.4521 9.4521 9.6813 9.6813 12.5627 12.5627 12.7148 12.7148 13.4035 13.4035 13.6479 13.6479 k = 0.5000 0.0481 0.5443 ( 2366 PWs) bands (ev): 4.1418 4.1418 4.1631 4.1631 4.4370 4.4370 4.5346 4.5346 4.5441 4.5441 5.6216 5.6216 6.7549 6.7549 6.8991 6.8991 7.7010 7.7010 7.8800 7.8800 7.9583 7.9583 8.0535 8.0535 8.1186 8.1186 8.2027 8.2027 8.4307 8.4307 8.6734 8.6734 8.8139 8.8139 9.4814 9.4814 9.7673 9.7673 12.5253 12.5253 12.7272 12.7272 13.4019 13.4019 13.7192 13.7192 k = 0.5000 0.0561 0.5330 ( 2372 PWs) bands (ev): 4.1419 4.1419 4.1639 4.1639 4.4377 4.4377 4.5332 4.5332 4.5447 4.5447 5.6120 5.6120 6.7372 6.7372 6.9160 6.9160 7.6957 7.6957 7.8795 7.8795 7.9549 7.9549 8.0410 8.0410 8.1163 8.1163 8.1948 8.1948 8.4244 8.4244 8.6356 8.6356 8.7922 8.7922 9.5132 9.5132 9.8561 9.8561 12.4890 12.4890 12.7415 12.7415 13.3992 13.3992 13.7968 13.7968 k = 0.5000 0.0642 0.5217 ( 2370 PWs) bands (ev): 4.1420 4.1420 4.1649 4.1649 4.4386 4.4386 4.5320 4.5320 4.5453 4.5453 5.6016 5.6016 6.7151 6.7151 6.9360 6.9360 7.6900 7.6900 7.8787 7.8787 7.9498 7.9498 8.0253 8.0253 8.1147 8.1147 8.1892 8.1892 8.4170 8.4170 8.6023 8.6023 8.7703 8.7703 9.5473 9.5473 9.9458 9.9458 12.4552 12.4552 12.7576 12.7576 13.3957 13.3957 13.8791 13.8791 k = 0.5000 0.0722 0.5103 ( 2376 PWs) bands (ev): 4.1420 4.1420 4.1658 4.1658 4.4394 4.4394 4.5305 4.5305 4.5459 4.5459 5.5907 5.5907 6.6887 6.6887 6.9586 6.9586 7.6839 7.6839 7.8771 7.8771 7.9416 7.9416 8.0086 8.0086 8.1139 8.1139 8.1856 8.1856 8.4085 8.4085 8.5731 8.5731 8.7485 8.7485 9.5835 9.5835 10.0349 10.0349 12.4253 12.4253 12.7753 12.7753 13.3916 13.3916 13.9652 13.9652 k = 0.5000 0.0802 0.4990 ( 2374 PWs) bands (ev): 4.1421 4.1421 4.1670 4.1670 4.4405 4.4405 4.5291 4.5291 4.5466 4.5466 5.5794 5.5794 6.6584 6.6584 6.9831 6.9831 7.6778 7.6778 7.8742 7.8742 7.9292 7.9292 7.9940 7.9940 8.1140 8.1140 8.1836 8.1836 8.3990 8.3990 8.5477 8.5477 8.7276 8.7276 9.6218 9.6218 10.1223 10.1223 12.4001 12.4001 12.7944 12.7944 13.3870 13.3870 14.0540 14.0540 k = 0.5000 0.0882 0.4876 ( 2376 PWs) bands (ev): 4.1423 4.1423 4.1681 4.1681 4.4416 4.4416 4.5277 4.5277 4.5473 4.5473 5.5680 5.5680 6.6245 6.6245 7.0091 7.0091 7.6715 7.6715 7.8686 7.8686 7.9139 7.9139 7.9831 7.9831 8.1146 8.1146 8.1829 8.1829 8.3886 8.3886 8.5253 8.5253 8.7078 8.7078 9.6620 9.6620 10.2066 10.2066 12.3807 12.3807 12.8147 12.8147 13.3820 13.3820 14.1450 14.1450 k = 0.5000 0.0962 0.4763 ( 2376 PWs) bands (ev): 4.1424 4.1424 4.1694 4.1694 4.4429 4.4429 4.5262 4.5262 4.5481 4.5481 5.5566 5.5566 6.5873 6.5873 7.0361 7.0361 7.6651 7.6651 7.8577 7.8577 7.9002 7.9002 7.9755 7.9755 8.1157 8.1157 8.1830 8.1830 8.3773 8.3773 8.5051 8.5051 8.6894 8.6894 9.7041 9.7041 10.2870 10.2870 12.3678 12.3678 12.8360 12.8360 13.3766 13.3766 14.2377 14.2377 k = 0.5000 0.1042 0.4649 ( 2376 PWs) bands (ev): 4.1425 4.1425 4.1706 4.1706 4.4442 4.4442 4.5248 4.5248 4.5489 4.5489 5.5453 5.5453 6.5472 6.5472 7.0638 7.0638 7.6587 7.6587 7.8404 7.8404 7.8915 7.8915 7.9695 7.9695 8.1169 8.1169 8.1836 8.1836 8.3655 8.3655 8.4868 8.4868 8.6726 8.6726 9.7479 9.7479 10.3623 10.3623 12.3623 12.3623 12.8582 12.8582 13.3710 13.3710 14.3316 14.3316 k = 0.5000 0.1123 0.4536 ( 2380 PWs) bands (ev): 4.1426 4.1426 4.1719 4.1719 4.4457 4.4457 4.5234 4.5234 4.5498 4.5498 5.5344 5.5344 6.5046 6.5046 7.0918 7.0918 7.6519 7.6519 7.8198 7.8198 7.8864 7.8864 7.9643 7.9643 8.1181 8.1181 8.1845 8.1845 8.3533 8.3533 8.4699 8.4699 8.6575 8.6575 9.7935 9.7935 10.4316 10.4316 12.3648 12.3648 12.8810 12.8810 13.3650 13.3650 14.4262 14.4262 k = 0.5000 0.1203 0.4423 ( 2378 PWs) bands (ev): 4.1426 4.1426 4.1732 4.1732 4.4472 4.4472 4.5221 4.5221 4.5508 4.5508 5.5238 5.5238 6.4600 6.4600 7.1199 7.1199 7.6448 7.6448 7.7993 7.7993 7.8830 7.8830 7.9593 7.9593 8.1191 8.1191 8.1855 8.1855 8.3410 8.3410 8.4543 8.4543 8.6441 8.6441 9.8408 9.8408 10.4943 10.4943 12.3755 12.3755 12.9043 12.9043 13.3590 13.3590 14.5213 14.5213 k = 0.5000 0.1283 0.4309 ( 2382 PWs) bands (ev): 4.1426 4.1426 4.1745 4.1745 4.4488 4.4488 4.5209 4.5209 4.5519 4.5519 5.5137 5.5137 6.4137 6.4137 7.1477 7.1477 7.6370 7.6370 7.7804 7.7804 7.8802 7.8802 7.9542 7.9542 8.1195 8.1195 8.1864 8.1864 8.3291 8.3291 8.4396 8.4396 8.6323 8.6323 9.8897 9.8897 10.5497 10.5497 12.3948 12.3948 12.9279 12.9279 13.3528 13.3528 14.6164 14.6164 k = 0.5000 0.1363 0.4196 ( 2384 PWs) bands (ev): 4.1426 4.1426 4.1758 4.1758 4.4505 4.4505 4.5197 4.5197 4.5531 4.5531 5.5041 5.5041 6.3664 6.3664 7.1750 7.1750 7.6282 7.6282 7.7642 7.7642 7.8777 7.8777 7.9489 7.9489 8.1192 8.1192 8.1871 8.1871 8.3179 8.3179 8.4260 8.4260 8.6220 8.6220 9.9402 9.9402 10.5976 10.5976 12.4224 12.4224 12.9516 12.9516 13.3466 13.3466 14.7113 14.7113 k = 0.5000 0.1443 0.4082 ( 2378 PWs) bands (ev): 4.1426 4.1426 4.1772 4.1772 4.4524 4.4524 4.5187 4.5187 4.5545 4.5545 5.4951 5.4951 6.3184 6.3184 7.2015 7.2015 7.6184 7.6184 7.7511 7.7511 7.8754 7.8754 7.9434 7.9434 8.1180 8.1180 8.1875 8.1875 8.3078 8.3078 8.4134 8.4134 8.6129 8.6129 9.9921 9.9921 10.6381 10.6381 12.4580 12.4580 12.9754 12.9754 13.3403 13.3403 14.8056 14.8056 k = 0.5000 0.1524 0.3969 ( 2384 PWs) bands (ev): 4.1424 4.1424 4.1785 4.1785 4.4542 4.4542 4.5178 4.5178 4.5558 4.5558 5.4867 5.4867 6.2702 6.2702 7.2271 7.2271 7.6074 7.6074 7.7411 7.7411 7.8731 7.8731 7.9376 7.9376 8.1155 8.1155 8.1875 8.1875 8.2990 8.2990 8.4018 8.4018 8.6051 8.6051 10.0453 10.0453 10.6713 10.6713 12.5009 12.5009 12.9991 12.9991 13.3342 13.3342 14.8989 14.8989 k = 0.5000 0.1604 0.3856 ( 2382 PWs) bands (ev): 4.1423 4.1423 4.1798 4.1798 4.4562 4.4562 4.5171 4.5171 4.5574 4.5574 5.4790 5.4790 6.2222 6.2222 7.2514 7.2514 7.5957 7.5957 7.7340 7.7340 7.8710 7.8710 7.9316 7.9316 8.1119 8.1119 8.1871 8.1871 8.2917 8.2917 8.3914 8.3914 8.5982 8.5982 10.0995 10.0995 10.6978 10.6978 12.5500 12.5500 13.0225 13.0225 13.3282 13.3282 14.9909 14.9909 k = 0.5000 0.1684 0.3742 ( 2382 PWs) bands (ev): 4.1420 4.1420 4.1811 4.1811 4.4582 4.4582 4.5165 4.5165 4.5591 4.5591 5.4719 5.4719 6.1750 6.1750 7.2745 7.2745 7.5835 7.5835 7.7291 7.7291 7.8689 7.8689 7.9257 7.9257 8.1071 8.1071 8.1861 8.1861 8.2858 8.2858 8.3822 8.3822 8.5921 8.5921 10.1545 10.1545 10.7183 10.7183 12.6042 12.6042 13.0456 13.0456 13.3223 13.3223 15.0810 15.0810 k = 0.5000 0.1764 0.3629 ( 2382 PWs) bands (ev): 4.1417 4.1417 4.1823 4.1823 4.4603 4.4603 4.5160 4.5160 4.5609 4.5609 5.4654 5.4654 6.1288 6.1288 7.2959 7.2959 7.5714 7.5714 7.7262 7.7262 7.8669 7.8669 7.9199 7.9199 8.1012 8.1012 8.1845 8.1845 8.2813 8.2813 8.3742 8.3742 8.5869 8.5869 10.2101 10.2101 10.7336 10.7336 12.6622 12.6622 13.0684 13.0684 13.3167 13.3167 15.1682 15.1682 k = 0.5000 0.1844 0.3515 ( 2382 PWs) bands (ev): 4.1414 4.1414 4.1835 4.1835 4.4624 4.4624 4.5157 4.5157 4.5628 4.5628 5.4596 5.4596 6.0840 6.0840 7.3155 7.3155 7.5598 7.5598 7.7245 7.7245 7.8650 7.8650 7.9147 7.9147 8.0945 8.0945 8.1821 8.1821 8.2780 8.2780 8.3676 8.3676 8.5822 8.5822 10.2658 10.2658 10.7444 10.7444 12.7226 12.7226 13.0907 13.0907 13.3114 13.3114 15.2491 15.2491 k = 0.5000 0.1925 0.3402 ( 2370 PWs) bands (ev): 4.1411 4.1411 4.1847 4.1847 4.4645 4.4645 4.5156 4.5156 4.5650 4.5650 5.4544 5.4544 6.0411 6.0411 7.3332 7.3332 7.5491 7.5491 7.7235 7.7235 7.8634 7.8634 7.9102 7.9102 8.0871 8.0871 8.1790 8.1790 8.2758 8.2758 8.3624 8.3624 8.5782 8.5782 10.3213 10.3213 10.7516 10.7516 12.7840 12.7840 13.1125 13.1125 13.3065 13.3065 15.2977 15.2977 k = 0.5000 0.2005 0.3289 ( 2378 PWs) bands (ev): 4.1406 4.1406 4.1857 4.1857 4.4666 4.4666 4.5153 4.5153 4.5672 4.5672 5.4497 5.4497 6.0002 6.0002 7.3486 7.3486 7.5396 7.5396 7.7229 7.7229 7.8620 7.8620 7.9066 7.9066 8.0791 8.0791 8.1749 8.1749 8.2743 8.2743 8.3583 8.3583 8.5746 8.5746 10.3760 10.3760 10.7559 10.7559 12.8451 12.8451 13.1337 13.1337 13.3021 13.3021 15.2612 15.2612 k = 0.5000 0.2085 0.3175 ( 2380 PWs) bands (ev): 4.1401 4.1401 4.1867 4.1867 4.4685 4.4685 4.5153 4.5153 4.5694 4.5694 5.4456 5.4456 5.9617 5.9617 7.3616 7.3616 7.5316 7.5316 7.7224 7.7224 7.8608 7.8608 7.9042 7.9042 8.0709 8.0709 8.1701 8.1701 8.2736 8.2736 8.3554 8.3554 8.5715 8.5715 10.4294 10.4294 10.7579 10.7579 12.9047 12.9047 13.1543 13.1543 13.2982 13.2982 15.1861 15.1861 k = 0.5000 0.2165 0.3062 ( 2378 PWs) bands (ev): 4.1396 4.1396 4.1876 4.1876 4.4704 4.4704 4.5153 4.5153 4.5718 4.5718 5.4421 5.4421 5.9259 5.9259 7.3722 7.3722 7.5254 7.5254 7.7218 7.7218 7.8599 7.8599 7.9032 7.9032 8.0626 8.0626 8.1646 8.1646 8.2734 8.2734 8.3535 8.3535 8.5688 8.5688 10.4808 10.4808 10.7583 10.7583 12.9615 12.9615 13.1743 13.1743 13.2949 13.2949 15.0994 15.0994 k = 0.5000 0.2245 0.2948 ( 2378 PWs) bands (ev): 4.1392 4.1392 4.1884 4.1884 4.4722 4.4722 4.5154 4.5154 4.5741 4.5741 5.4390 5.4390 5.8931 5.8931 7.3801 7.3801 7.5209 7.5209 7.7209 7.7209 7.8593 7.8593 7.9035 7.9035 8.0542 8.0542 8.1586 8.1586 8.2736 8.2736 8.3523 8.3523 8.5665 8.5665 10.5296 10.5296 10.7576 10.7576 13.0142 13.0142 13.1936 13.1936 13.2924 13.2924 15.0107 15.0107 k = 0.5000 0.2325 0.2835 ( 2380 PWs) bands (ev): 4.1387 4.1387 4.1891 4.1891 4.4738 4.4738 4.5155 4.5155 4.5765 4.5765 5.4364 5.4364 5.8634 5.8634 7.3857 7.3857 7.5183 7.5183 7.7198 7.7198 7.8589 7.8589 7.9052 7.9052 8.0459 8.0459 8.1525 8.1525 8.2741 8.2741 8.3518 8.3518 8.5644 8.5644 10.5751 10.5751 10.7561 10.7561 13.0618 13.0618 13.2122 13.2122 13.2907 13.2907 14.9253 14.9253 k = 0.5000 0.2406 0.2722 ( 2376 PWs) bands (ev): 4.1383 4.1383 4.1898 4.1898 4.4752 4.4752 4.5157 4.5157 4.5787 4.5787 5.4342 5.4342 5.8372 5.8372 7.3892 7.3892 7.5171 7.5171 7.7186 7.7186 7.8588 7.8588 7.9081 7.9081 8.0378 8.0378 8.1464 8.1464 8.2748 8.2748 8.3517 8.3517 8.5628 8.5628 10.6164 10.6164 10.7544 10.7544 13.1031 13.1031 13.2302 13.2302 13.2902 13.2902 14.8462 14.8462 k = 0.5000 0.2486 0.2608 ( 2378 PWs) bands (ev): 4.1378 4.1378 4.1903 4.1903 4.4765 4.4765 4.5159 4.5159 4.5807 4.5807 5.4324 5.4324 5.8146 5.8146 7.3910 7.3910 7.5170 7.5170 7.7172 7.7172 7.8588 7.8588 7.9120 7.9120 8.0299 8.0299 8.1407 8.1407 8.2754 8.2754 8.3518 8.3518 8.5614 8.5614 10.6528 10.6528 10.7526 10.7526 13.1371 13.1371 13.2474 13.2474 13.2907 13.2907 14.7755 14.7755 k = 0.5000 0.2566 0.2495 ( 2376 PWs) bands (ev): 4.1375 4.1375 4.1908 4.1908 4.4775 4.4775 4.5160 4.5160 4.5825 4.5825 5.4310 5.4310 5.7958 5.7958 7.3917 7.3917 7.5177 7.5177 7.7159 7.7159 7.8588 7.8588 7.9164 7.9164 8.0226 8.0226 8.1357 8.1357 8.2761 8.2761 8.3521 8.3521 8.5602 8.5602 10.6833 10.6833 10.7514 10.7514 13.1631 13.1631 13.2637 13.2637 13.2923 13.2923 14.7151 14.7151 k = 0.5000 0.2646 0.2381 ( 2376 PWs) bands (ev): 4.1372 4.1372 4.1911 4.1911 4.4783 4.4783 4.5162 4.5162 4.5840 4.5840 5.4299 5.4299 5.7811 5.7811 7.3917 7.3917 7.5185 7.5185 7.7148 7.7148 7.8590 7.8590 7.9209 7.9209 8.0160 8.0160 8.1315 8.1315 8.2767 8.2767 8.3523 8.3523 8.5594 8.5594 10.7070 10.7070 10.7511 10.7511 13.1815 13.1815 13.2782 13.2782 13.2947 13.2947 14.6665 14.6665 k = 0.5000 0.2726 0.2268 ( 2376 PWs) bands (ev): 4.1370 4.1370 4.1914 4.1914 4.4789 4.4789 4.5163 4.5163 4.5851 4.5851 5.4292 5.4292 5.7704 5.7704 7.3915 7.3915 7.5193 7.5193 7.7140 7.7140 7.8591 7.8591 7.9249 7.9249 8.0107 8.0107 8.1283 8.1283 8.2772 8.2772 8.3526 8.3526 8.5588 8.5588 10.7226 10.7226 10.7525 10.7525 13.1933 13.1933 13.2898 13.2898 13.2972 13.2972 14.6307 14.6307 k = 0.5000 0.2807 0.2155 ( 2376 PWs) bands (ev): 4.1369 4.1369 4.1915 4.1915 4.4792 4.4792 4.5164 4.5164 4.5858 4.5858 5.4288 5.4288 5.7640 5.7640 7.3913 7.3913 7.5199 7.5199 7.7134 7.7134 7.8592 7.8592 7.9277 7.9277 8.0071 8.0071 8.1263 8.1263 8.2775 8.2775 8.3528 8.3528 8.5584 8.5584 10.7301 10.7301 10.7554 10.7554 13.1996 13.1996 13.2972 13.2972 13.2992 13.2992 14.6089 14.6089 k = 0.5000 0.2887 0.2041 ( 2362 PWs) bands (ev): 4.1370 4.1370 4.1917 4.1917 4.4794 4.4794 4.5165 4.5165 4.5861 4.5861 5.4286 5.4286 5.7618 5.7618 7.3912 7.3912 7.5201 7.5201 7.7133 7.7133 7.8592 7.8592 7.9288 7.9288 8.0059 8.0059 8.1257 8.1257 8.2776 8.2776 8.3529 8.3529 8.5584 8.5584 10.7321 10.7321 10.7569 10.7569 13.2016 13.2016 13.2992 13.2992 13.3004 13.3004 14.6015 14.6015 k = 0.5000 0.2887 0.2041 ( 2362 PWs) bands (ev): 4.1370 4.1370 4.1917 4.1917 4.4794 4.4794 4.5165 4.5165 4.5861 4.5861 5.4286 5.4286 5.7618 5.7618 7.3912 7.3912 7.5201 7.5201 7.7133 7.7133 7.8592 7.8592 7.9288 7.9288 8.0059 8.0059 8.1257 8.1257 8.2776 8.2776 8.3529 8.3529 8.5584 8.5584 10.7321 10.7321 10.7569 10.7569 13.2016 13.2016 13.2992 13.2992 13.3004 13.3004 14.6015 14.6015 k = 0.4961 0.2864 0.2169 ( 2377 PWs) bands (ev): 4.1369 4.1369 4.1915 4.1915 4.4792 4.4792 4.5164 4.5164 4.5858 4.5858 5.4288 5.4288 5.7639 5.7639 7.3913 7.3913 7.5199 7.5199 7.7134 7.7134 7.8592 7.8592 7.9277 7.9277 8.0070 8.0070 8.1263 8.1263 8.2775 8.2775 8.3528 8.3528 8.5584 8.5584 10.7302 10.7302 10.7554 10.7554 13.1997 13.1997 13.2973 13.2973 13.2992 13.2992 14.6085 14.6085 k = 0.4922 0.2842 0.2296 ( 2377 PWs) bands (ev): 4.1370 4.1370 4.1914 4.1914 4.4789 4.4789 4.5163 4.5163 4.5851 4.5851 5.4292 5.4292 5.7700 5.7700 7.3915 7.3915 7.5194 7.5194 7.7139 7.7139 7.8591 7.8591 7.9250 7.9250 8.0104 8.0104 8.1282 8.1282 8.2772 8.2772 8.3526 8.3526 8.5587 8.5587 10.7231 10.7231 10.7526 10.7526 13.1937 13.1937 13.2904 13.2904 13.2972 13.2972 14.6293 14.6293 k = 0.4883 0.2819 0.2424 ( 2377 PWs) bands (ev): 4.1372 4.1372 4.1911 4.1911 4.4783 4.4783 4.5162 4.5162 4.5841 4.5841 5.4299 5.4299 5.7801 5.7801 7.3917 7.3917 7.5186 7.5186 7.7148 7.7148 7.8590 7.8590 7.9212 7.9212 8.0155 8.0155 8.1312 8.1312 8.2768 8.2768 8.3524 8.3524 8.5593 8.5593 10.7084 10.7084 10.7512 10.7512 13.1825 13.1825 13.2799 13.2799 13.2943 13.2943 14.6632 14.6632 k = 0.4844 0.2797 0.2552 ( 2376 PWs) bands (ev): 4.1375 4.1375 4.1908 4.1908 4.4776 4.4776 4.5161 4.5161 4.5827 4.5827 5.4309 5.4309 5.7941 5.7941 7.3917 7.3917 7.5177 7.5177 7.7158 7.7158 7.8588 7.8588 7.9169 7.9169 8.0218 8.0218 8.1352 8.1352 8.2762 8.2762 8.3521 8.3521 8.5601 8.5601 10.6858 10.6858 10.7516 10.7516 13.1647 13.1647 13.2674 13.2674 13.2910 13.2910 14.7096 14.7096 k = 0.4805 0.2774 0.2679 ( 2380 PWs) bands (ev): 4.1378 4.1378 4.1903 4.1903 4.4766 4.4766 4.5159 4.5159 4.5809 4.5809 5.4322 5.4322 5.8120 5.8120 7.3911 7.3911 7.5171 7.5171 7.7170 7.7170 7.8585 7.8585 7.9128 7.9128 8.0289 8.0289 8.1400 8.1400 8.2755 8.2755 8.3518 8.3518 8.5612 8.5612 10.6564 10.6564 10.7532 10.7532 13.1389 13.1389 13.2542 13.2542 13.2881 13.2881 14.7672 14.7672 k = 0.4766 0.2751 0.2807 ( 2386 PWs) bands (ev): 4.1381 4.1381 4.1897 4.1897 4.4754 4.4754 4.5156 4.5156 4.5790 4.5790 5.4339 5.4339 5.8335 5.8335 7.3895 7.3895 7.5170 7.5170 7.7184 7.7184 7.8580 7.8580 7.9095 7.9095 8.0364 8.0364 8.1454 8.1454 8.2748 8.2748 8.3516 8.3516 8.5625 8.5625 10.6210 10.6210 10.7556 10.7556 13.1048 13.1048 13.2407 13.2407 13.2862 13.2862 14.8347 14.8347 k = 0.4727 0.2729 0.2934 ( 2386 PWs) bands (ev): 4.1385 4.1385 4.1891 4.1891 4.4741 4.4741 4.5154 4.5154 4.5768 4.5768 5.4360 5.4360 5.8585 5.8585 7.3865 7.3865 7.5179 7.5179 7.7197 7.7197 7.8572 7.8572 7.9076 7.9076 8.0442 8.0442 8.1511 8.1511 8.2743 8.2743 8.3517 8.3517 8.5641 8.5641 10.5803 10.5803 10.7588 10.7588 13.0626 13.0626 13.2267 13.2267 13.2861 13.2861 14.9104 14.9104 k = 0.4688 0.2706 0.3062 ( 2380 PWs) bands (ev): 4.1390 4.1390 4.1885 4.1885 4.4726 4.4726 4.5153 4.5153 4.5746 4.5746 5.4384 5.4384 5.8867 5.8867 7.3815 7.3815 7.5202 7.5202 7.7209 7.7209 7.8556 7.8556 7.9079 7.9079 8.0521 8.0521 8.1569 8.1569 8.2739 8.2739 8.3521 8.3521 8.5660 8.5660 10.5351 10.5351 10.7625 10.7625 13.0134 13.0134 13.2119 13.2119 13.2879 13.2879 14.9925 14.9925 k = 0.4648 0.2684 0.3189 ( 2378 PWs) bands (ev): 4.1395 4.1395 4.1878 4.1878 4.4710 4.4710 4.5151 4.5151 4.5724 4.5724 5.4413 5.4413 5.9181 5.9181 7.3744 7.3744 7.5240 7.5240 7.7218 7.7218 7.8534 7.8534 7.9105 7.9105 8.0600 8.0600 8.1623 8.1623 8.2739 8.2739 8.3530 8.3530 8.5682 8.5682 10.4859 10.4859 10.7666 10.7666 12.9578 12.9578 13.1961 13.1961 13.2919 13.2919 15.0775 15.0775 k = 0.4609 0.2661 0.3317 ( 2384 PWs) bands (ev): 4.1398 4.1398 4.1869 4.1869 4.4693 4.4693 4.5149 4.5149 4.5701 4.5701 5.4446 5.4446 5.9523 5.9523 7.3649 7.3649 7.5296 7.5296 7.7225 7.7225 7.8504 7.8504 7.9156 7.9156 8.0677 8.0677 8.1670 8.1670 8.2743 8.2743 8.3545 8.3545 8.5707 8.5707 10.4333 10.4333 10.7712 10.7712 12.8966 12.8966 13.1793 13.1793 13.2981 13.2981 15.1594 15.1594 k = 0.4570 0.2639 0.3445 ( 2376 PWs) bands (ev): 4.1402 4.1402 4.1861 4.1861 4.4675 4.4675 4.5148 4.5148 4.5680 4.5680 5.4485 5.4485 5.9892 5.9892 7.3530 7.3530 7.5369 7.5369 7.7230 7.7230 7.8470 7.8470 7.9232 7.9232 8.0754 8.0754 8.1708 8.1708 8.2754 8.2754 8.3569 8.3569 8.5735 8.5735 10.3779 10.3779 10.7762 10.7762 12.8306 12.8306 13.1617 13.1617 13.3062 13.3062 15.2241 15.2241 k = 0.4531 0.2616 0.3572 ( 2374 PWs) bands (ev): 4.1405 4.1405 4.1852 4.1852 4.4658 4.4658 4.5146 4.5146 4.5660 4.5660 5.4528 5.4528 6.0284 6.0284 7.3388 7.3388 7.5457 7.5457 7.7232 7.7232 7.8434 7.8434 7.9329 7.9329 8.0827 8.0827 8.1736 8.1736 8.2771 8.2771 8.3602 8.3602 8.5768 8.5768 10.3201 10.3201 10.7815 10.7815 12.7604 12.7604 13.1436 13.1436 13.3164 13.3164 15.2475 15.2475 k = 0.4492 0.2594 0.3700 ( 2371 PWs) bands (ev): 4.1407 4.1407 4.1843 4.1843 4.4642 4.4642 4.5144 4.5144 4.5642 4.5642 5.4577 5.4577 6.0698 6.0698 7.3226 7.3226 7.5557 7.5557 7.7233 7.7233 7.8397 7.8397 7.9445 7.9445 8.0898 8.0898 8.1752 8.1752 8.2794 8.2794 8.3646 8.3646 8.5804 8.5804 10.2605 10.2605 10.7871 10.7871 12.6868 12.6868 13.1252 13.1252 13.3283 13.3283 15.2238 15.2238 k = 0.4453 0.2571 0.3827 ( 2373 PWs) bands (ev): 4.1407 4.1407 4.1833 4.1833 4.4625 4.4625 4.5141 4.5141 4.5626 4.5626 5.4630 5.4630 6.1130 6.1130 7.3045 7.3045 7.5668 7.5668 7.7234 7.7234 7.8361 7.8361 7.9576 7.9576 8.0963 8.0963 8.1758 8.1758 8.2824 8.2824 8.3701 8.3701 8.5845 8.5845 10.1993 10.1993 10.7928 10.7928 12.6103 12.6103 13.1067 13.1067 13.3420 13.3420 15.1737 15.1737 k = 0.4414 0.2548 0.3955 ( 2369 PWs) bands (ev): 4.1406 4.1406 4.1824 4.1824 4.4611 4.4611 4.5138 4.5138 4.5611 4.5611 5.4690 5.4690 6.1578 6.1578 7.2848 7.2848 7.5787 7.5787 7.7237 7.7237 7.8328 7.8328 7.9720 7.9720 8.1025 8.1025 8.1757 8.1757 8.2860 8.2860 8.3766 8.3766 8.5891 8.5891 10.1371 10.1371 10.7987 10.7987 12.5317 12.5317 13.0885 13.0885 13.3573 13.3573 15.1123 15.1123 k = 0.4375 0.2526 0.4082 ( 2369 PWs) bands (ev): 4.1402 4.1402 4.1815 4.1815 4.4597 4.4597 4.5134 4.5134 4.5600 4.5600 5.4755 5.4755 6.2038 6.2038 7.2635 7.2635 7.5910 7.5910 7.7244 7.7244 7.8297 7.8297 7.9873 7.9873 8.1080 8.1080 8.1751 8.1751 8.2902 8.2902 8.3840 8.3840 8.5942 8.5942 10.0741 10.0741 10.8047 10.8047 12.4515 12.4515 13.0708 13.0708 13.3740 13.3740 15.0462 15.0462 k = 0.4336 0.2503 0.4210 ( 2374 PWs) bands (ev): 4.1396 4.1396 4.1806 4.1806 4.4585 4.4585 4.5129 4.5129 4.5590 4.5590 5.4825 5.4825 6.2507 6.2507 7.2409 7.2409 7.6033 7.6033 7.7257 7.7257 7.8270 7.8270 8.0029 8.0029 8.1129 8.1129 8.1748 8.1748 8.2950 8.2950 8.3922 8.3922 8.5998 8.5998 10.0107 10.0107 10.8106 10.8106 12.3706 12.3706 13.0539 13.0539 13.3919 13.3919 14.9781 14.9781 k = 0.4297 0.2481 0.4338 ( 2376 PWs) bands (ev): 4.1388 4.1388 4.1798 4.1798 4.4576 4.4576 4.5124 4.5124 4.5583 4.5583 5.4901 5.4901 6.2981 6.2981 7.2172 7.2172 7.6154 7.6154 7.7279 7.7279 7.8248 7.8248 8.0181 8.0181 8.1170 8.1170 8.1755 8.1755 8.3005 8.3005 8.4009 8.4009 8.6061 8.6061 9.9473 9.9473 10.8165 10.8165 12.2895 12.2895 13.0381 13.0381 13.4109 13.4109 14.9096 14.9096 k = 0.4258 0.2458 0.4465 ( 2376 PWs) bands (ev): 4.1377 4.1377 4.1791 4.1791 4.4568 4.4568 4.5118 4.5118 4.5579 4.5579 5.4982 5.4982 6.3458 6.3458 7.1926 7.1926 7.6267 7.6267 7.7313 7.7313 7.8232 7.8232 8.0322 8.0322 8.1200 8.1200 8.1786 8.1786 8.3069 8.3069 8.4098 8.4098 8.6130 8.6130 9.8841 9.8841 10.8222 10.8222 12.2088 12.2088 13.0235 13.0235 13.4307 13.4307 14.8415 14.8415 k = 0.4219 0.2436 0.4593 ( 2376 PWs) bands (ev): 4.1364 4.1364 4.1785 4.1785 4.4562 4.4562 4.5111 4.5111 4.5577 4.5577 5.5067 5.5067 6.3931 6.3931 7.1672 7.1672 7.6369 7.6369 7.7362 7.7362 7.8223 7.8223 8.0443 8.0443 8.1213 8.1213 8.1853 8.1853 8.3140 8.3140 8.4189 8.4189 8.6205 8.6205 9.8216 9.8216 10.8276 10.8276 12.1291 12.1291 13.0106 13.0106 13.4511 13.4511 14.7746 14.7746 k = 0.4180 0.2413 0.4720 ( 2370 PWs) bands (ev): 4.1348 4.1348 4.1780 4.1780 4.4559 4.4559 4.5104 4.5104 4.5578 4.5578 5.5156 5.5156 6.4397 6.4397 7.1414 7.1414 7.6456 7.6456 7.7427 7.7427 7.8223 7.8223 8.0537 8.0537 8.1206 8.1206 8.1967 8.1967 8.3221 8.3221 8.4279 8.4279 8.6285 8.6285 9.7601 9.7601 10.8326 10.8326 12.0511 12.0511 12.9994 12.9994 13.4717 13.4717 14.7093 14.7093 k = 0.4141 0.2391 0.4848 ( 2370 PWs) bands (ev): 4.1330 4.1330 4.1776 4.1776 4.4557 4.4557 4.5096 4.5096 4.5580 4.5580 5.5247 5.5247 6.4851 6.4851 7.1153 7.1153 7.6527 7.6527 7.7505 7.7505 7.8234 7.8234 8.0602 8.0602 8.1180 8.1180 8.2128 8.2128 8.3310 8.3310 8.4368 8.4368 8.6370 8.6370 9.7000 9.7000 10.8372 10.8372 11.9751 11.9751 12.9903 12.9903 13.4921 13.4921 14.6465 14.6465 k = 0.4102 0.2368 0.4976 ( 2366 PWs) bands (ev): 4.1310 4.1310 4.1772 4.1772 4.4556 4.4556 4.5089 4.5089 4.5584 4.5584 5.5340 5.5340 6.5285 6.5285 7.0894 7.0894 7.6582 7.6582 7.7590 7.7590 7.8262 7.8262 8.0642 8.0642 8.1140 8.1140 8.2328 8.2328 8.3408 8.3408 8.4456 8.4456 8.6458 8.6458 9.6420 9.6420 10.8413 10.8413 11.9017 11.9017 12.9834 12.9834 13.5119 13.5119 14.5865 14.5865 k = 0.4062 0.2345 0.5103 ( 2373 PWs) bands (ev): 4.1287 4.1287 4.1769 4.1769 4.4556 4.4556 4.5080 4.5080 4.5590 4.5590 5.5433 5.5433 6.5693 6.5693 7.0642 7.0642 7.6624 7.6624 7.7675 7.7675 7.8309 7.8309 8.0662 8.0662 8.1089 8.1089 8.2556 8.2556 8.3514 8.3514 8.4544 8.4544 8.6545 8.6545 9.5865 9.5865 10.8447 10.8447 11.8314 11.8314 12.9789 12.9789 13.5305 13.5305 14.5303 14.5303 k = 0.4023 0.2323 0.5231 ( 2370 PWs) bands (ev): 4.1263 4.1263 4.1767 4.1767 4.4558 4.4558 4.5073 4.5073 4.5597 4.5597 5.5524 5.5524 6.6065 6.6065 7.0404 7.0404 7.6656 7.6656 7.7751 7.7751 7.8382 7.8382 8.0667 8.0667 8.1029 8.1029 8.2798 8.2798 8.3630 8.3630 8.4639 8.4639 8.6630 8.6630 9.5344 9.5344 10.8473 10.8473 11.7644 11.7644 12.9770 12.9770 13.5472 13.5472 14.4786 14.4786 k = 0.3984 0.2300 0.5358 ( 2372 PWs) bands (ev): 4.1237 4.1237 4.1765 4.1765 4.4560 4.4560 4.5066 4.5066 4.5604 4.5604 5.5611 5.5611 6.6390 6.6390 7.0191 7.0191 7.6682 7.6682 7.7814 7.7814 7.8480 7.8480 8.0663 8.0663 8.0964 8.0964 8.3042 8.3042 8.3753 8.3753 8.4744 8.4744 8.6710 8.6710 9.4865 9.4865 10.8491 10.8491 11.7010 11.7010 12.9778 12.9778 13.5612 13.5612 14.4324 14.4324 k = 0.3945 0.2278 0.5486 ( 2372 PWs) bands (ev): 4.1211 4.1211 4.1765 4.1765 4.4562 4.4562 4.5059 4.5059 4.5611 4.5611 5.5691 5.5691 6.6652 6.6652 7.0017 7.0017 7.6702 7.6702 7.7863 7.7863 7.8600 7.8600 8.0652 8.0652 8.0894 8.0894 8.3273 8.3273 8.3880 8.3880 8.4870 8.4870 8.6781 8.6781 9.4438 9.4438 10.8499 10.8499 11.6416 11.6416 12.9814 12.9814 13.5716 13.5716 14.3929 14.3929 k = 0.3906 0.2255 0.5613 ( 2368 PWs) bands (ev): 4.1184 4.1184 4.1764 4.1764 4.4565 4.4565 4.5054 4.5054 4.5620 4.5620 5.5760 5.5760 6.6834 6.6834 6.9899 6.9899 7.6718 7.6718 7.7904 7.7904 7.8734 7.8734 8.0635 8.0635 8.0825 8.0825 8.3480 8.3480 8.4004 8.4004 8.5022 8.5022 8.6848 8.6848 9.4072 9.4072 10.8497 10.8497 11.5863 11.5863 12.9878 12.9878 13.5775 13.5775 14.3609 14.3609 k = 0.3867 0.2233 0.5741 ( 2364 PWs) bands (ev): 4.1157 4.1157 4.1765 4.1765 4.4567 4.4567 4.5049 4.5049 4.5628 4.5628 5.5816 5.5816 6.6922 6.6922 6.9852 6.9852 7.6732 7.6732 7.7939 7.7939 7.8875 7.8875 8.0610 8.0610 8.0758 8.0758 8.3656 8.3656 8.4118 8.4118 8.5195 8.5195 8.6918 8.6918 9.3778 9.3778 10.8484 10.8484 11.5352 11.5352 12.9971 12.9971 13.5782 13.5782 14.3374 14.3374 k = 0.3828 0.2210 0.5869 ( 2358 PWs) bands (ev): 4.1129 4.1129 4.1765 4.1765 4.4569 4.4569 4.5046 4.5046 4.5636 4.5636 5.5853 5.5853 6.6913 6.6913 6.9882 6.9882 7.6745 7.6745 7.7973 7.7973 7.9017 7.9017 8.0574 8.0574 8.0704 8.0704 8.3803 8.3803 8.4217 8.4217 8.5365 8.5365 8.7014 8.7014 9.3563 9.3563 10.8459 10.8459 11.4885 11.4885 13.0091 13.0091 13.5733 13.5733 14.3230 14.3230 k = 0.3789 0.2188 0.5996 ( 2364 PWs) bands (ev): 4.1102 4.1102 4.1765 4.1765 4.4569 4.4569 4.5042 4.5042 4.5643 4.5643 5.5867 5.5867 6.6821 6.6821 6.9977 6.9977 7.6755 7.6755 7.8006 7.8006 7.9154 7.9154 8.0523 8.0523 8.0667 8.0667 8.3919 8.3919 8.4307 8.4307 8.5486 8.5486 8.7169 8.7169 9.3432 9.3432 10.8421 10.8421 11.4459 11.4459 13.0239 13.0239 13.5630 13.5630 14.3110 14.3110 k = 0.3750 0.2165 0.6124 ( 2364 PWs) bands (ev): 4.1075 4.1075 4.1766 4.1766 4.4569 4.4569 4.5040 4.5040 4.5649 4.5649 5.5853 5.5853 6.6667 6.6667 7.0121 7.0121 7.6765 7.6765 7.8041 7.8041 7.9279 7.9279 8.0465 8.0465 8.0645 8.0645 8.4003 8.4003 8.4396 8.4396 8.5524 8.5524 8.7410 8.7410 9.3387 9.3387 10.8370 10.8370 11.4076 11.4076 13.0412 13.0412 13.5481 13.5481 14.2516 14.2516 k = 0.6250-0.0722 0.4082 ( 2364 PWs) bands (ev): 4.1075 4.1075 4.1766 4.1766 4.4569 4.4569 4.5040 4.5040 4.5649 4.5649 5.5853 5.5853 6.6667 6.6667 7.0121 7.0121 7.6765 7.6765 7.8041 7.8041 7.9279 7.9279 8.0465 8.0465 8.0645 8.0645 8.4003 8.4003 8.4396 8.4396 8.5524 8.5524 8.7410 8.7410 9.3387 9.3387 10.8370 10.8370 11.4076 11.4076 13.0412 13.0412 13.5481 13.5481 14.2516 14.2516 k = 0.6181-0.0842 0.4082 ( 2368 PWs) bands (ev): 4.1026 4.1026 4.1766 4.1766 4.4565 4.4565 4.5038 4.5038 4.5660 4.5660 5.5784 5.5784 6.6362 6.6362 7.0407 7.0407 7.6780 7.6780 7.8105 7.8105 7.9481 7.9481 8.0359 8.0359 8.0616 8.0616 8.4096 8.4096 8.4574 8.4574 8.5444 8.5444 8.8027 8.8027 9.3384 9.3384 10.8278 10.8278 11.3454 11.3454 13.0732 13.0732 13.5194 13.5194 14.1426 14.1426 k = 0.6111-0.0962 0.4082 ( 2368 PWs) bands (ev): 4.0977 4.0977 4.1765 4.1765 4.4561 4.4561 4.5036 4.5036 4.5671 4.5671 5.5693 5.5693 6.6076 6.6076 7.0684 7.0684 7.6796 7.6796 7.8168 7.8168 7.9670 7.9670 8.0252 8.0252 8.0585 8.0585 8.4143 8.4143 8.4753 8.4753 8.5313 8.5313 8.8792 8.8792 9.3380 9.3380 10.8204 10.8204 11.2875 11.2875 13.1033 13.1033 13.4935 13.4935 14.0366 14.0366 k = 0.6042-0.1083 0.4082 ( 2376 PWs) bands (ev): 4.0926 4.0926 4.1763 4.1763 4.4554 4.4554 4.5035 4.5035 4.5682 4.5682 5.5586 5.5586 6.5809 6.5809 7.0951 7.0951 7.6811 7.6811 7.8231 7.8231 7.9845 7.9845 8.0146 8.0146 8.0551 8.0551 8.4140 8.4140 8.4853 8.4853 8.5264 8.5264 8.9641 8.9641 9.3378 9.3378 10.8150 10.8150 11.2339 11.2339 13.1316 13.1316 13.4702 13.4702 13.9340 13.9340 k = 0.5972-0.1203 0.4082 ( 2380 PWs) bands (ev): 4.0875 4.0875 4.1760 4.1760 4.4546 4.4546 4.5034 4.5034 4.5693 4.5693 5.5469 5.5469 6.5560 6.5560 7.1205 7.1205 7.6828 7.6828 7.8294 7.8294 8.0003 8.0003 8.0042 8.0042 8.0519 8.0519 8.4076 8.4076 8.4814 8.4814 8.5392 8.5392 9.0538 9.0538 9.3382 9.3382 10.8113 10.8113 11.1846 11.1846 13.1579 13.1579 13.4495 13.4495 13.8351 13.8351 k = 0.5903-0.1323 0.4082 ( 2382 PWs) bands (ev): 4.0825 4.0825 4.1756 4.1756 4.4537 4.4537 4.5034 4.5034 4.5705 4.5705 5.5346 5.5346 6.5331 6.5331 7.1446 7.1446 7.6845 7.6845 7.8359 7.8359 7.9940 7.9940 8.0141 8.0141 8.0492 8.0492 8.3937 8.3937 8.4759 8.4759 8.5595 8.5595 9.1451 9.1451 9.3402 9.3402 10.8094 10.8094 11.1393 11.1393 13.1823 13.1823 13.4309 13.4309 13.7405 13.7405 k = 0.5833-0.1443 0.4082 ( 2382 PWs) bands (ev): 4.0777 4.0777 4.1752 4.1752 4.4528 4.4528 4.5035 4.5035 4.5716 4.5716 5.5221 5.5221 6.5119 6.5119 7.1672 7.1672 7.6864 7.6864 7.8424 7.8424 7.9842 7.9842 8.0247 8.0247 8.0480 8.0480 8.3740 8.3740 8.4735 8.4735 8.5814 8.5814 9.2321 9.2321 9.3484 9.3484 10.8089 10.8089 11.0980 11.0980 13.2047 13.2047 13.4143 13.4143 13.6507 13.6507 k = 0.5764-0.1564 0.4082 ( 2380 PWs) bands (ev): 4.0731 4.0731 4.1747 4.1747 4.4519 4.4519 4.5035 4.5035 4.5728 4.5728 5.5097 5.5097 6.4926 6.4926 7.1885 7.1885 7.6882 7.6882 7.8493 7.8493 7.9748 7.9748 8.0300 8.0300 8.0508 8.0508 8.3508 8.3508 8.4734 8.4734 8.6034 8.6034 9.2927 9.2927 9.3832 9.3832 10.8099 10.8099 11.0607 11.0607 13.2250 13.2250 13.3989 13.3989 13.5666 13.5666 k = 0.5694-0.1684 0.4082 ( 2378 PWs) bands (ev): 4.0687 4.0687 4.1741 4.1741 4.4510 4.4510 4.5036 4.5036 4.5739 4.5739 5.4978 5.4978 6.4751 6.4751 7.2082 7.2082 7.6901 7.6901 7.8563 7.8563 7.9659 7.9659 8.0302 8.0302 8.0574 8.0574 8.3262 8.3262 8.4746 8.4746 8.6248 8.6248 9.3110 9.3110 9.4591 9.4591 10.8119 10.8119 11.0272 11.0272 13.2430 13.2430 13.3829 13.3829 13.4906 13.4906 k = 0.5625-0.1804 0.4082 ( 2376 PWs) bands (ev): 4.0645 4.0645 4.1736 4.1736 4.4501 4.4501 4.5037 4.5037 4.5750 4.5750 5.4864 5.4864 6.4594 6.4594 7.2263 7.2263 7.6921 7.6921 7.8635 7.8635 7.9576 7.9576 8.0285 8.0285 8.0645 8.0645 8.3014 8.3014 8.4762 8.4762 8.6451 8.6451 9.3153 9.3153 9.5466 9.5466 10.8148 10.8148 10.9975 10.9975 13.2584 13.2584 13.3597 13.3597 13.4299 13.4299 k = 0.5556-0.1925 0.4082 ( 2382 PWs) bands (ev): 4.0606 4.0606 4.1729 4.1729 4.4491 4.4491 4.5037 4.5037 4.5760 4.5760 5.4759 5.4759 6.4454 6.4454 7.2429 7.2429 7.6939 7.6939 7.8710 7.8710 7.9499 7.9499 8.0266 8.0266 8.0706 8.0706 8.2772 8.2772 8.4779 8.4779 8.6640 8.6640 9.3164 9.3164 9.6333 9.6333 10.8179 10.8179 10.9717 10.9717 13.2691 13.2691 13.3186 13.3186 13.3975 13.3975 k = 0.5486-0.2045 0.4082 ( 2382 PWs) bands (ev): 4.0571 4.0571 4.1723 4.1723 4.4483 4.4483 4.5038 4.5038 4.5770 4.5770 5.4663 5.4663 6.4332 6.4332 7.2578 7.2578 7.6957 7.6957 7.8787 7.8787 7.9429 7.9429 8.0249 8.0249 8.0750 8.0750 8.2542 8.2542 8.4796 8.4796 8.6813 8.6813 9.3164 9.3164 9.7158 9.7158 10.8208 10.8208 10.9498 10.9498 13.2509 13.2509 13.2934 13.2934 13.3841 13.3841 k = 0.5417-0.2165 0.4082 ( 2388 PWs) bands (ev): 4.0539 4.0539 4.1718 4.1718 4.4475 4.4475 4.5038 4.5038 4.5778 4.5778 5.4577 5.4577 6.4226 6.4226 7.2710 7.2710 7.6974 7.6974 7.8864 7.8864 7.9366 7.9366 8.0238 8.0238 8.0775 8.0775 8.2333 8.2333 8.4812 8.4812 8.6967 8.6967 9.3161 9.3161 9.7918 9.7918 10.8230 10.8230 10.9322 10.9322 13.2024 13.2024 13.2984 13.2984 13.3776 13.3776 k = 0.5347-0.2285 0.4082 ( 2390 PWs) bands (ev): 4.0511 4.0511 4.1712 4.1712 4.4469 4.4469 4.5038 4.5038 4.5786 4.5786 5.4504 5.4504 6.4137 6.4137 7.2823 7.2823 7.6989 7.6989 7.8939 7.8939 7.9312 7.9312 8.0236 8.0236 8.0776 8.0776 8.2151 8.2151 8.4825 8.4825 8.7101 8.7101 9.3156 9.3156 9.8598 9.8598 10.8238 10.8238 10.9190 10.9190 13.1564 13.1564 13.3044 13.3044 13.3742 13.3742 k = 0.5278-0.2406 0.4082 ( 2378 PWs) bands (ev): 4.0489 4.0489 4.1710 4.1710 4.4464 4.4464 4.5040 4.5040 4.5793 4.5793 5.4442 5.4442 6.4065 6.4065 7.2918 7.2918 7.7003 7.7003 7.9011 7.9011 7.9267 7.9267 8.0246 8.0246 8.0752 8.0752 8.2002 8.2002 8.4838 8.4838 8.7213 8.7213 9.3153 9.3153 9.9180 9.9180 10.8229 10.8229 10.9100 10.9100 13.1172 13.1172 13.3088 13.3088 13.3729 13.3729 k = 0.5208-0.2526 0.4082 ( 2366 PWs) bands (ev): 4.0472 4.0472 4.1707 4.1707 4.4461 4.4461 4.5040 4.5040 4.5800 4.5800 5.4394 5.4394 6.4009 6.4009 7.2994 7.2994 7.7013 7.7013 7.9076 7.9076 7.9231 7.9231 8.0271 8.0271 8.0701 8.0701 8.1891 8.1891 8.4847 8.4847 8.7304 8.7304 9.3149 9.3149 9.9652 9.9652 10.8208 10.8208 10.9048 10.9048 13.0860 13.0860 13.3117 13.3117 13.3728 13.3728 k = 0.5139-0.2646 0.4082 ( 2362 PWs) bands (ev): 4.0460 4.0460 4.1704 4.1704 4.4458 4.4458 4.5041 4.5041 4.5804 4.5804 5.4360 5.4360 6.3969 6.3969 7.3048 7.3048 7.7021 7.7021 7.9127 7.9127 7.9206 7.9206 8.0310 8.0310 8.0632 8.0632 8.1816 8.1816 8.4853 8.4853 8.7368 8.7368 9.3146 9.3146 9.9999 9.9999 10.8184 10.8184 10.9021 10.9021 13.0633 13.0633 13.3133 13.3133 13.3733 13.3733 k = 0.5069-0.2766 0.4082 ( 2362 PWs) bands (ev): 4.0452 4.0452 4.1703 4.1703 4.4456 4.4456 4.5041 4.5041 4.5806 4.5806 5.4339 5.4339 6.3945 6.3945 7.3081 7.3081 7.7026 7.7026 7.9158 7.9158 7.9191 7.9191 8.0360 8.0360 8.0557 8.0557 8.1774 8.1774 8.4857 8.4857 8.7407 8.7407 9.3144 9.3144 10.0212 10.0212 10.8164 10.8164 10.9010 10.9010 13.0495 13.0495 13.3142 13.3142 13.3738 13.3738 k = 0.5000-0.2887 0.4082 ( 2346 PWs) bands (ev): 4.0450 4.0450 4.1703 4.1703 4.4457 4.4457 4.5042 4.5042 4.5808 4.5808 5.4332 5.4332 6.3937 6.3937 7.3092 7.3092 7.7029 7.7029 7.9169 7.9169 7.9187 7.9187 8.0395 8.0395 8.0514 8.0514 8.1762 8.1762 8.4860 8.4860 8.7420 8.7420 9.3144 9.3144 10.0283 10.0283 10.8157 10.8157 10.9007 10.9007 13.0449 13.0449 13.3144 13.3144 13.3740 13.3740 Writing output data file ZrZnCu2.save init_run : 0.17s CPU 0.31s WALL ( 1 calls) electrons : 103.71s CPU 105.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 103.70s CPU 105.86s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 340 calls) cegterg : 92.34s CPU 93.65s WALL ( 385 calls) Called by sum_band: Called by *egterg: h_psi : 58.31s CPU 59.56s WALL ( 6063 calls) s_psi : 2.79s CPU 2.86s WALL ( 6063 calls) g_psi : 0.14s CPU 0.10s WALL ( 5338 calls) cdiaghg : 33.63s CPU 33.75s WALL ( 5678 calls) cegterg:over : 2.87s CPU 2.98s WALL ( 5338 calls) cegterg:upda : 1.80s CPU 1.86s WALL ( 5338 calls) cegterg:last : 1.14s CPU 1.26s WALL ( 1065 calls) cdiaghg:chol : 1.83s CPU 1.80s WALL ( 5678 calls) cdiaghg:inve : 1.40s CPU 1.21s WALL ( 5678 calls) cdiaghg:para : 1.93s CPU 1.92s WALL ( 11356 calls) Called by h_psi: h_psi:vloc : 52.04s CPU 53.05s WALL ( 6063 calls) h_psi:vnl : 6.18s CPU 6.43s WALL ( 6063 calls) add_vuspsi : 3.45s CPU 3.49s WALL ( 6063 calls) General routines calbec : 2.71s CPU 2.92s WALL ( 6063 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 48.96s CPU 50.03s WALL ( 663560 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.11s WALL ( 680 calls) Parallel routines fft_scatter : 17.42s CPU 17.62s WALL ( 663583 calls) PWSCF : 1m55.44s CPU 2m11.08s WALL This run was terminated on: 17:43: 7 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=