Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:30:37 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: ./HfxCuPx2.save/ file Cu.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 26 18 5 1058 636 101 Max 28 19 6 1063 657 108 Sum 955 673 199 38155 23307 3791 bravais-lattice index = 14 lattice parameter (alat) = 7.1791 a.u. unit-cell volume = 519.5728 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.179069 celldm(2)= 1.000000 celldm(3)= 1.621479 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 1.621479 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.616721 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 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 1271 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. # 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 P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Hf 12.00 178.49000 Hf( 1.00) Cu 11.00 63.54600 Cu( 1.00) P 5.00 30.97380 P( 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 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 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) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 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) = ( -1 -1 0 ) ( 0 1 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) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -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 ) ( 0 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) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 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) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -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) = ( 1 1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 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= 351 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0104167 0.0060141 -0.0000000), wk = 0.0028490 k( 3) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0028490 k( 4) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0028490 k( 5) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0028490 k( 6) = ( 0.0520833 0.0300703 -0.0000000), wk = 0.0028490 k( 7) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0028490 k( 8) = ( 0.0729167 0.0420985 -0.0000000), wk = 0.0028490 k( 9) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0028490 k( 10) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0028490 k( 11) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0028490 k( 12) = ( 0.1145833 0.0661547 -0.0000000), wk = 0.0028490 k( 13) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0028490 k( 14) = ( 0.1354167 0.0781829 -0.0000000), wk = 0.0028490 k( 15) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0028490 k( 16) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0028490 k( 17) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0028490 k( 18) = ( 0.1770833 0.1022391 -0.0000000), wk = 0.0028490 k( 19) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0028490 k( 20) = ( 0.1979167 0.1142672 -0.0000000), wk = 0.0028490 k( 21) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0028490 k( 22) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0028490 k( 23) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0028490 k( 24) = ( 0.2395833 0.1383235 -0.0000000), wk = 0.0028490 k( 25) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0028490 k( 26) = ( 0.2604167 0.1503516 -0.0000000), wk = 0.0028490 k( 27) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0028490 k( 28) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0028490 k( 29) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0028490 k( 30) = ( 0.3020833 0.1744079 -0.0000000), wk = 0.0028490 k( 31) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0028490 k( 32) = ( 0.3229167 0.1864360 -0.0000000), wk = 0.0028490 k( 33) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0028490 k( 34) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0028490 k( 35) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0028490 k( 36) = ( 0.3645833 0.2104923 -0.0000000), wk = 0.0028490 k( 37) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0028490 k( 38) = ( 0.3854167 0.2225204 -0.0000000), wk = 0.0028490 k( 39) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0028490 k( 40) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0028490 k( 41) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0028490 k( 42) = ( 0.4270833 0.2465767 -0.0000000), wk = 0.0028490 k( 43) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0028490 k( 44) = ( 0.4479167 0.2586048 -0.0000000), wk = 0.0028490 k( 45) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0028490 k( 46) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0028490 k( 47) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0028490 k( 48) = ( 0.4895833 0.2826611 -0.0000000), wk = 0.0028490 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028490 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028490 k( 51) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0028490 k( 52) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0028490 k( 53) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0028490 k( 54) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0028490 k( 55) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0028490 k( 56) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0028490 k( 57) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0028490 k( 58) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0028490 k( 59) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0028490 k( 60) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0028490 k( 61) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0028490 k( 62) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0028490 k( 63) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0028490 k( 64) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028490 k( 65) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0028490 k( 66) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0028490 k( 67) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0028490 k( 68) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0028490 k( 69) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0028490 k( 70) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0028490 k( 71) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0028490 k( 72) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0028490 k( 73) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0028490 k( 74) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0028490 k( 75) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0028490 k( 76) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0028490 k( 77) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0028490 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028490 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028490 k( 80) = ( 0.3273810 0.5670404 -0.0000000), wk = 0.0028490 k( 81) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0028490 k( 82) = ( 0.3154762 0.5464208 -0.0000000), wk = 0.0028490 k( 83) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0028490 k( 84) = ( 0.3035714 0.5258011 -0.0000000), wk = 0.0028490 k( 85) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0028490 k( 86) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0028490 k( 87) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0028490 k( 88) = ( 0.2797619 0.4845618 -0.0000000), wk = 0.0028490 k( 89) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0028490 k( 90) = ( 0.2678571 0.4639422 -0.0000000), wk = 0.0028490 k( 91) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0028490 k( 92) = ( 0.2559524 0.4433225 -0.0000000), wk = 0.0028490 k( 93) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0028490 k( 94) = ( 0.2440476 0.4227029 -0.0000000), wk = 0.0028490 k( 95) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0028490 k( 96) = ( 0.2321429 0.4020832 -0.0000000), wk = 0.0028490 k( 97) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0028490 k( 98) = ( 0.2202381 0.3814636 -0.0000000), wk = 0.0028490 k( 99) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0028490 k( 100) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0028490 k( 101) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0028490 k( 102) = ( 0.1964286 0.3402243 -0.0000000), wk = 0.0028490 k( 103) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0028490 k( 104) = ( 0.1845238 0.3196046 -0.0000000), wk = 0.0028490 k( 105) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0028490 k( 106) = ( 0.1726190 0.2989850 -0.0000000), wk = 0.0028490 k( 107) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0028490 k( 108) = ( 0.1607143 0.2783653 -0.0000000), wk = 0.0028490 k( 109) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0028490 k( 110) = ( 0.1488095 0.2577456 -0.0000000), wk = 0.0028490 k( 111) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0028490 k( 112) = ( 0.1369048 0.2371260 -0.0000000), wk = 0.0028490 k( 113) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0028490 k( 114) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0028490 k( 115) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0028490 k( 116) = ( 0.1130952 0.1958867 -0.0000000), wk = 0.0028490 k( 117) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0028490 k( 118) = ( 0.1011905 0.1752671 -0.0000000), wk = 0.0028490 k( 119) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0028490 k( 120) = ( 0.0892857 0.1546474 -0.0000000), wk = 0.0028490 k( 121) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0028490 k( 122) = ( 0.0773810 0.1340277 -0.0000000), wk = 0.0028490 k( 123) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0028490 k( 124) = ( 0.0654762 0.1134081 -0.0000000), wk = 0.0028490 k( 125) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0028490 k( 126) = ( 0.0535714 0.0927884 -0.0000000), wk = 0.0028490 k( 127) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0028490 k( 128) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0028490 k( 129) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0028490 k( 130) = ( 0.0297619 0.0515491 -0.0000000), wk = 0.0028490 k( 131) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0028490 k( 132) = ( 0.0178571 0.0309295 -0.0000000), wk = 0.0028490 k( 133) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0028490 k( 134) = ( 0.0059524 0.0103098 -0.0000000), wk = 0.0028490 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 137) = ( 0.0000000 0.0000000 0.0118600), wk = 0.0028490 k( 138) = ( 0.0000000 0.0000000 0.0237200), wk = 0.0028490 k( 139) = ( 0.0000000 0.0000000 0.0355800), wk = 0.0028490 k( 140) = ( 0.0000000 0.0000000 0.0474401), wk = 0.0028490 k( 141) = ( 0.0000000 0.0000000 0.0593001), wk = 0.0028490 k( 142) = ( 0.0000000 0.0000000 0.0711601), wk = 0.0028490 k( 143) = ( 0.0000000 0.0000000 0.0830201), wk = 0.0028490 k( 144) = ( 0.0000000 0.0000000 0.0948801), wk = 0.0028490 k( 145) = ( 0.0000000 0.0000000 0.1067401), wk = 0.0028490 k( 146) = ( 0.0000000 0.0000000 0.1186001), wk = 0.0028490 k( 147) = ( 0.0000000 0.0000000 0.1304602), wk = 0.0028490 k( 148) = ( 0.0000000 0.0000000 0.1423202), wk = 0.0028490 k( 149) = ( 0.0000000 0.0000000 0.1541802), wk = 0.0028490 k( 150) = ( 0.0000000 0.0000000 0.1660402), wk = 0.0028490 k( 151) = ( 0.0000000 0.0000000 0.1779002), wk = 0.0028490 k( 152) = ( 0.0000000 0.0000000 0.1897602), wk = 0.0028490 k( 153) = ( 0.0000000 0.0000000 0.2016203), wk = 0.0028490 k( 154) = ( 0.0000000 0.0000000 0.2134803), wk = 0.0028490 k( 155) = ( 0.0000000 0.0000000 0.2253403), wk = 0.0028490 k( 156) = ( 0.0000000 0.0000000 0.2372003), wk = 0.0028490 k( 157) = ( 0.0000000 0.0000000 0.2490603), wk = 0.0028490 k( 158) = ( 0.0000000 0.0000000 0.2609203), wk = 0.0028490 k( 159) = ( 0.0000000 0.0000000 0.2727803), wk = 0.0028490 k( 160) = ( 0.0000000 0.0000000 0.2846404), wk = 0.0028490 k( 161) = ( 0.0000000 0.0000000 0.2965004), wk = 0.0028490 k( 162) = ( 0.0000000 0.0000000 0.3083604), wk = 0.0028490 k( 163) = ( 0.0000000 0.0000000 0.3083604), wk = 0.0028490 k( 164) = ( 0.0104167 0.0060141 0.3083604), wk = 0.0028490 k( 165) = ( 0.0208333 0.0120281 0.3083604), wk = 0.0028490 k( 166) = ( 0.0312500 0.0180422 0.3083604), wk = 0.0028490 k( 167) = ( 0.0416667 0.0240563 0.3083604), wk = 0.0028490 k( 168) = ( 0.0520833 0.0300703 0.3083604), wk = 0.0028490 k( 169) = ( 0.0625000 0.0360844 0.3083604), wk = 0.0028490 k( 170) = ( 0.0729167 0.0420985 0.3083604), wk = 0.0028490 k( 171) = ( 0.0833333 0.0481125 0.3083604), wk = 0.0028490 k( 172) = ( 0.0937500 0.0541266 0.3083604), wk = 0.0028490 k( 173) = ( 0.1041667 0.0601407 0.3083604), wk = 0.0028490 k( 174) = ( 0.1145833 0.0661547 0.3083604), wk = 0.0028490 k( 175) = ( 0.1250000 0.0721688 0.3083604), wk = 0.0028490 k( 176) = ( 0.1354167 0.0781829 0.3083604), wk = 0.0028490 k( 177) = ( 0.1458333 0.0841969 0.3083604), wk = 0.0028490 k( 178) = ( 0.1562500 0.0902110 0.3083604), wk = 0.0028490 k( 179) = ( 0.1666667 0.0962250 0.3083604), wk = 0.0028490 k( 180) = ( 0.1770833 0.1022391 0.3083604), wk = 0.0028490 k( 181) = ( 0.1875000 0.1082532 0.3083604), wk = 0.0028490 k( 182) = ( 0.1979167 0.1142672 0.3083604), wk = 0.0028490 k( 183) = ( 0.2083333 0.1202813 0.3083604), wk = 0.0028490 k( 184) = ( 0.2187500 0.1262954 0.3083604), wk = 0.0028490 k( 185) = ( 0.2291667 0.1323094 0.3083604), wk = 0.0028490 k( 186) = ( 0.2395833 0.1383235 0.3083604), wk = 0.0028490 k( 187) = ( 0.2500000 0.1443376 0.3083604), wk = 0.0028490 k( 188) = ( 0.2604167 0.1503516 0.3083604), wk = 0.0028490 k( 189) = ( 0.2708333 0.1563657 0.3083604), wk = 0.0028490 k( 190) = ( 0.2812500 0.1623798 0.3083604), wk = 0.0028490 k( 191) = ( 0.2916667 0.1683938 0.3083604), wk = 0.0028490 k( 192) = ( 0.3020833 0.1744079 0.3083604), wk = 0.0028490 k( 193) = ( 0.3125000 0.1804220 0.3083604), wk = 0.0028490 k( 194) = ( 0.3229167 0.1864360 0.3083604), wk = 0.0028490 k( 195) = ( 0.3333333 0.1924501 0.3083604), wk = 0.0028490 k( 196) = ( 0.3437500 0.1984642 0.3083604), wk = 0.0028490 k( 197) = ( 0.3541667 0.2044782 0.3083604), wk = 0.0028490 k( 198) = ( 0.3645833 0.2104923 0.3083604), wk = 0.0028490 k( 199) = ( 0.3750000 0.2165064 0.3083604), wk = 0.0028490 k( 200) = ( 0.3854167 0.2225204 0.3083604), wk = 0.0028490 k( 201) = ( 0.3958333 0.2285345 0.3083604), wk = 0.0028490 k( 202) = ( 0.4062500 0.2345485 0.3083604), wk = 0.0028490 k( 203) = ( 0.4166667 0.2405626 0.3083604), wk = 0.0028490 k( 204) = ( 0.4270833 0.2465767 0.3083604), wk = 0.0028490 k( 205) = ( 0.4375000 0.2525907 0.3083604), wk = 0.0028490 k( 206) = ( 0.4479167 0.2586048 0.3083604), wk = 0.0028490 k( 207) = ( 0.4583333 0.2646189 0.3083604), wk = 0.0028490 k( 208) = ( 0.4687500 0.2706329 0.3083604), wk = 0.0028490 k( 209) = ( 0.4791667 0.2766470 0.3083604), wk = 0.0028490 k( 210) = ( 0.4895833 0.2826611 0.3083604), wk = 0.0028490 k( 211) = ( 0.5000000 0.2886751 0.3083604), wk = 0.0028490 k( 212) = ( 0.5000000 0.2886751 0.3083604), wk = 0.0028490 k( 213) = ( 0.4940476 0.2989850 0.3083604), wk = 0.0028490 k( 214) = ( 0.4880952 0.3092948 0.3083604), wk = 0.0028490 k( 215) = ( 0.4821429 0.3196046 0.3083604), wk = 0.0028490 k( 216) = ( 0.4761905 0.3299144 0.3083604), wk = 0.0028490 k( 217) = ( 0.4702381 0.3402243 0.3083604), wk = 0.0028490 k( 218) = ( 0.4642857 0.3505341 0.3083604), wk = 0.0028490 k( 219) = ( 0.4583333 0.3608439 0.3083604), wk = 0.0028490 k( 220) = ( 0.4523810 0.3711537 0.3083604), wk = 0.0028490 k( 221) = ( 0.4464286 0.3814636 0.3083604), wk = 0.0028490 k( 222) = ( 0.4404762 0.3917734 0.3083604), wk = 0.0028490 k( 223) = ( 0.4345238 0.4020832 0.3083604), wk = 0.0028490 k( 224) = ( 0.4285714 0.4123930 0.3083604), wk = 0.0028490 k( 225) = ( 0.4226190 0.4227029 0.3083604), wk = 0.0028490 k( 226) = ( 0.4166667 0.4330127 0.3083604), wk = 0.0028490 k( 227) = ( 0.4107143 0.4433225 0.3083604), wk = 0.0028490 k( 228) = ( 0.4047619 0.4536324 0.3083604), wk = 0.0028490 k( 229) = ( 0.3988095 0.4639422 0.3083604), wk = 0.0028490 k( 230) = ( 0.3928571 0.4742520 0.3083604), wk = 0.0028490 k( 231) = ( 0.3869048 0.4845618 0.3083604), wk = 0.0028490 k( 232) = ( 0.3809524 0.4948717 0.3083604), wk = 0.0028490 k( 233) = ( 0.3750000 0.5051815 0.3083604), wk = 0.0028490 k( 234) = ( 0.3690476 0.5154913 0.3083604), wk = 0.0028490 k( 235) = ( 0.3630952 0.5258011 0.3083604), wk = 0.0028490 k( 236) = ( 0.3571429 0.5361110 0.3083604), wk = 0.0028490 k( 237) = ( 0.3511905 0.5464208 0.3083604), wk = 0.0028490 k( 238) = ( 0.3452381 0.5567306 0.3083604), wk = 0.0028490 k( 239) = ( 0.3392857 0.5670404 0.3083604), wk = 0.0028490 k( 240) = ( 0.3333333 0.5773503 0.3083604), wk = 0.0028490 k( 241) = ( 0.3333333 0.5773503 0.3083604), wk = 0.0028490 k( 242) = ( 0.3273810 0.5670404 0.3083604), wk = 0.0028490 k( 243) = ( 0.3214286 0.5567306 0.3083604), wk = 0.0028490 k( 244) = ( 0.3154762 0.5464208 0.3083604), wk = 0.0028490 k( 245) = ( 0.3095238 0.5361110 0.3083604), wk = 0.0028490 k( 246) = ( 0.3035714 0.5258011 0.3083604), wk = 0.0028490 k( 247) = ( 0.2976190 0.5154913 0.3083604), wk = 0.0028490 k( 248) = ( 0.2916667 0.5051815 0.3083604), wk = 0.0028490 k( 249) = ( 0.2857143 0.4948717 0.3083604), wk = 0.0028490 k( 250) = ( 0.2797619 0.4845618 0.3083604), wk = 0.0028490 k( 251) = ( 0.2738095 0.4742520 0.3083604), wk = 0.0028490 k( 252) = ( 0.2678571 0.4639422 0.3083604), wk = 0.0028490 k( 253) = ( 0.2619048 0.4536324 0.3083604), wk = 0.0028490 k( 254) = ( 0.2559524 0.4433225 0.3083604), wk = 0.0028490 k( 255) = ( 0.2500000 0.4330127 0.3083604), wk = 0.0028490 k( 256) = ( 0.2440476 0.4227029 0.3083604), wk = 0.0028490 k( 257) = ( 0.2380952 0.4123931 0.3083604), wk = 0.0028490 k( 258) = ( 0.2321429 0.4020832 0.3083604), wk = 0.0028490 k( 259) = ( 0.2261905 0.3917734 0.3083604), wk = 0.0028490 k( 260) = ( 0.2202381 0.3814636 0.3083604), wk = 0.0028490 k( 261) = ( 0.2142857 0.3711537 0.3083604), wk = 0.0028490 k( 262) = ( 0.2083333 0.3608439 0.3083604), wk = 0.0028490 k( 263) = ( 0.2023810 0.3505341 0.3083604), wk = 0.0028490 k( 264) = ( 0.1964286 0.3402243 0.3083604), wk = 0.0028490 k( 265) = ( 0.1904762 0.3299144 0.3083604), wk = 0.0028490 k( 266) = ( 0.1845238 0.3196046 0.3083604), wk = 0.0028490 k( 267) = ( 0.1785714 0.3092948 0.3083604), wk = 0.0028490 k( 268) = ( 0.1726190 0.2989850 0.3083604), wk = 0.0028490 k( 269) = ( 0.1666667 0.2886751 0.3083604), wk = 0.0028490 k( 270) = ( 0.1607143 0.2783653 0.3083604), wk = 0.0028490 k( 271) = ( 0.1547619 0.2680555 0.3083604), wk = 0.0028490 k( 272) = ( 0.1488095 0.2577456 0.3083604), wk = 0.0028490 k( 273) = ( 0.1428571 0.2474358 0.3083604), wk = 0.0028490 k( 274) = ( 0.1369048 0.2371260 0.3083604), wk = 0.0028490 k( 275) = ( 0.1309524 0.2268162 0.3083604), wk = 0.0028490 k( 276) = ( 0.1250000 0.2165064 0.3083604), wk = 0.0028490 k( 277) = ( 0.1190476 0.2061965 0.3083604), wk = 0.0028490 k( 278) = ( 0.1130952 0.1958867 0.3083604), wk = 0.0028490 k( 279) = ( 0.1071429 0.1855769 0.3083604), wk = 0.0028490 k( 280) = ( 0.1011905 0.1752671 0.3083604), wk = 0.0028490 k( 281) = ( 0.0952381 0.1649572 0.3083604), wk = 0.0028490 k( 282) = ( 0.0892857 0.1546474 0.3083604), wk = 0.0028490 k( 283) = ( 0.0833333 0.1443376 0.3083604), wk = 0.0028490 k( 284) = ( 0.0773810 0.1340277 0.3083604), wk = 0.0028490 k( 285) = ( 0.0714286 0.1237179 0.3083604), wk = 0.0028490 k( 286) = ( 0.0654762 0.1134081 0.3083604), wk = 0.0028490 k( 287) = ( 0.0595238 0.1030983 0.3083604), wk = 0.0028490 k( 288) = ( 0.0535714 0.0927884 0.3083604), wk = 0.0028490 k( 289) = ( 0.0476191 0.0824786 0.3083604), wk = 0.0028490 k( 290) = ( 0.0416667 0.0721688 0.3083604), wk = 0.0028490 k( 291) = ( 0.0357143 0.0618590 0.3083604), wk = 0.0028490 k( 292) = ( 0.0297619 0.0515491 0.3083604), wk = 0.0028490 k( 293) = ( 0.0238095 0.0412393 0.3083604), wk = 0.0028490 k( 294) = ( 0.0178571 0.0309295 0.3083604), wk = 0.0028490 k( 295) = ( 0.0119048 0.0206196 0.3083604), wk = 0.0028490 k( 296) = ( 0.0059524 0.0103098 0.3083604), wk = 0.0028490 k( 297) = ( 0.0000000 0.0000000 0.3083604), wk = 0.0028490 k( 298) = ( 0.5000000 0.2886751 0.3083604), wk = 0.0028490 k( 299) = ( 0.5000000 0.2886751 0.2965004), wk = 0.0028490 k( 300) = ( 0.5000000 0.2886751 0.2846404), wk = 0.0028490 k( 301) = ( 0.5000000 0.2886751 0.2727803), wk = 0.0028490 k( 302) = ( 0.5000000 0.2886751 0.2609203), wk = 0.0028490 k( 303) = ( 0.5000000 0.2886751 0.2490603), wk = 0.0028490 k( 304) = ( 0.5000000 0.2886751 0.2372003), wk = 0.0028490 k( 305) = ( 0.5000000 0.2886751 0.2253403), wk = 0.0028490 k( 306) = ( 0.5000000 0.2886751 0.2134803), wk = 0.0028490 k( 307) = ( 0.5000000 0.2886751 0.2016203), wk = 0.0028490 k( 308) = ( 0.5000000 0.2886751 0.1897602), wk = 0.0028490 k( 309) = ( 0.5000000 0.2886751 0.1779002), wk = 0.0028490 k( 310) = ( 0.5000000 0.2886751 0.1660402), wk = 0.0028490 k( 311) = ( 0.5000000 0.2886751 0.1541802), wk = 0.0028490 k( 312) = ( 0.5000000 0.2886751 0.1423202), wk = 0.0028490 k( 313) = ( 0.5000000 0.2886751 0.1304602), wk = 0.0028490 k( 314) = ( 0.5000000 0.2886751 0.1186001), wk = 0.0028490 k( 315) = ( 0.5000000 0.2886751 0.1067401), wk = 0.0028490 k( 316) = ( 0.5000000 0.2886751 0.0948801), wk = 0.0028490 k( 317) = ( 0.5000000 0.2886751 0.0830201), wk = 0.0028490 k( 318) = ( 0.5000000 0.2886751 0.0711601), wk = 0.0028490 k( 319) = ( 0.5000000 0.2886751 0.0593001), wk = 0.0028490 k( 320) = ( 0.5000000 0.2886751 0.0474401), wk = 0.0028490 k( 321) = ( 0.5000000 0.2886751 0.0355800), wk = 0.0028490 k( 322) = ( 0.5000000 0.2886751 0.0237200), wk = 0.0028490 k( 323) = ( 0.5000000 0.2886751 0.0118600), wk = 0.0028490 k( 324) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028490 k( 325) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028490 k( 326) = ( 0.3333333 0.5773503 0.0118600), wk = 0.0028490 k( 327) = ( 0.3333333 0.5773503 0.0237200), wk = 0.0028490 k( 328) = ( 0.3333333 0.5773503 0.0355800), wk = 0.0028490 k( 329) = ( 0.3333333 0.5773503 0.0474401), wk = 0.0028490 k( 330) = ( 0.3333333 0.5773503 0.0593001), wk = 0.0028490 k( 331) = ( 0.3333333 0.5773503 0.0711601), wk = 0.0028490 k( 332) = ( 0.3333333 0.5773503 0.0830201), wk = 0.0028490 k( 333) = ( 0.3333333 0.5773503 0.0948801), wk = 0.0028490 k( 334) = ( 0.3333333 0.5773503 0.1067401), wk = 0.0028490 k( 335) = ( 0.3333333 0.5773503 0.1186001), wk = 0.0028490 k( 336) = ( 0.3333333 0.5773503 0.1304602), wk = 0.0028490 k( 337) = ( 0.3333333 0.5773503 0.1423202), wk = 0.0028490 k( 338) = ( 0.3333333 0.5773503 0.1541802), wk = 0.0028490 k( 339) = ( 0.3333333 0.5773503 0.1660402), wk = 0.0028490 k( 340) = ( 0.3333333 0.5773503 0.1779002), wk = 0.0028490 k( 341) = ( 0.3333333 0.5773503 0.1897602), wk = 0.0028490 k( 342) = ( 0.3333333 0.5773503 0.2016203), wk = 0.0028490 k( 343) = ( 0.3333333 0.5773503 0.2134803), wk = 0.0028490 k( 344) = ( 0.3333333 0.5773503 0.2253403), wk = 0.0028490 k( 345) = ( 0.3333333 0.5773503 0.2372003), wk = 0.0028490 k( 346) = ( 0.3333333 0.5773503 0.2490603), wk = 0.0028490 k( 347) = ( 0.3333333 0.5773503 0.2609203), wk = 0.0028490 k( 348) = ( 0.3333333 0.5773503 0.2727803), wk = 0.0028490 k( 349) = ( 0.3333333 0.5773503 0.2846404), wk = 0.0028490 k( 350) = ( 0.3333333 0.5773503 0.2965004), wk = 0.0028490 k( 351) = ( 0.3333333 0.5773503 0.3083604), wk = 0.0028490 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0104167 -0.0000000 -0.0000000), wk = 0.0028490 k( 3) = ( 0.0208333 -0.0000000 -0.0000000), wk = 0.0028490 k( 4) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0028490 k( 5) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0028490 k( 6) = ( 0.0520833 0.0000000 -0.0000000), wk = 0.0028490 k( 7) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0028490 k( 8) = ( 0.0729167 0.0000000 0.0000000), wk = 0.0028490 k( 9) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0028490 k( 10) = ( 0.0937500 0.0000000 -0.0000000), wk = 0.0028490 k( 11) = ( 0.1041667 0.0000000 -0.0000000), wk = 0.0028490 k( 12) = ( 0.1145833 -0.0000000 -0.0000000), wk = 0.0028490 k( 13) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0028490 k( 14) = ( 0.1354167 0.0000000 -0.0000000), wk = 0.0028490 k( 15) = ( 0.1458333 -0.0000000 -0.0000000), wk = 0.0028490 k( 16) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0028490 k( 17) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0028490 k( 18) = ( 0.1770833 -0.0000000 -0.0000000), wk = 0.0028490 k( 19) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0028490 k( 20) = ( 0.1979167 0.0000000 -0.0000000), wk = 0.0028490 k( 21) = ( 0.2083333 0.0000000 -0.0000000), wk = 0.0028490 k( 22) = ( 0.2187500 0.0000000 -0.0000000), wk = 0.0028490 k( 23) = ( 0.2291667 0.0000000 -0.0000000), wk = 0.0028490 k( 24) = ( 0.2395833 -0.0000000 -0.0000000), wk = 0.0028490 k( 25) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028490 k( 26) = ( 0.2604167 0.0000000 0.0000000), wk = 0.0028490 k( 27) = ( 0.2708333 0.0000000 0.0000000), wk = 0.0028490 k( 28) = ( 0.2812500 0.0000000 -0.0000000), wk = 0.0028490 k( 29) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0028490 k( 30) = ( 0.3020833 0.0000000 0.0000000), wk = 0.0028490 k( 31) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0028490 k( 32) = ( 0.3229167 0.0000000 0.0000000), wk = 0.0028490 k( 33) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0028490 k( 34) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0028490 k( 35) = ( 0.3541667 -0.0000000 -0.0000000), wk = 0.0028490 k( 36) = ( 0.3645833 -0.0000000 0.0000000), wk = 0.0028490 k( 37) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0028490 k( 38) = ( 0.3854167 0.0000000 -0.0000000), wk = 0.0028490 k( 39) = ( 0.3958333 0.0000000 -0.0000000), wk = 0.0028490 k( 40) = ( 0.4062500 0.0000000 -0.0000000), wk = 0.0028490 k( 41) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0028490 k( 42) = ( 0.4270833 -0.0000000 0.0000000), wk = 0.0028490 k( 43) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0028490 k( 44) = ( 0.4479167 0.0000000 0.0000000), wk = 0.0028490 k( 45) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0028490 k( 46) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0028490 k( 47) = ( 0.4791667 -0.0000000 -0.0000000), wk = 0.0028490 k( 48) = ( 0.4895833 -0.0000000 -0.0000000), wk = 0.0028490 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028490 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028490 k( 51) = ( 0.4940476 0.0119048 -0.0000000), wk = 0.0028490 k( 52) = ( 0.4880952 0.0238095 -0.0000000), wk = 0.0028490 k( 53) = ( 0.4821429 0.0357143 -0.0000000), wk = 0.0028490 k( 54) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0028490 k( 55) = ( 0.4702381 0.0595238 -0.0000000), wk = 0.0028490 k( 56) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0028490 k( 57) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0028490 k( 58) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0028490 k( 59) = ( 0.4464286 0.1071429 -0.0000000), wk = 0.0028490 k( 60) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0028490 k( 61) = ( 0.4345238 0.1309524 -0.0000000), wk = 0.0028490 k( 62) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0028490 k( 63) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0028490 k( 64) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0028490 k( 65) = ( 0.4107143 0.1785714 -0.0000000), wk = 0.0028490 k( 66) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0028490 k( 67) = ( 0.3988095 0.2023810 0.0000000), wk = 0.0028490 k( 68) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0028490 k( 69) = ( 0.3869048 0.2261905 -0.0000000), wk = 0.0028490 k( 70) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0028490 k( 71) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0028490 k( 72) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0028490 k( 73) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0028490 k( 74) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0028490 k( 75) = ( 0.3511905 0.2976191 -0.0000000), wk = 0.0028490 k( 76) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0028490 k( 77) = ( 0.3392857 0.3214286 0.0000000), wk = 0.0028490 k( 78) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028490 k( 79) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028490 k( 80) = ( 0.3273810 0.3273810 -0.0000000), wk = 0.0028490 k( 81) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0028490 k( 82) = ( 0.3154762 0.3154762 0.0000000), wk = 0.0028490 k( 83) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0028490 k( 84) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0028490 k( 85) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0028490 k( 86) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0028490 k( 87) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0028490 k( 88) = ( 0.2797619 0.2797619 -0.0000000), wk = 0.0028490 k( 89) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0028490 k( 90) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0028490 k( 91) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0028490 k( 92) = ( 0.2559524 0.2559524 -0.0000000), wk = 0.0028490 k( 93) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028490 k( 94) = ( 0.2440476 0.2440476 0.0000000), wk = 0.0028490 k( 95) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0028490 k( 96) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0028490 k( 97) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0028490 k( 98) = ( 0.2202381 0.2202381 -0.0000000), wk = 0.0028490 k( 99) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0028490 k( 100) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0028490 k( 101) = ( 0.2023810 0.2023810 -0.0000000), wk = 0.0028490 k( 102) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0028490 k( 103) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0028490 k( 104) = ( 0.1845238 0.1845238 0.0000000), wk = 0.0028490 k( 105) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0028490 k( 106) = ( 0.1726190 0.1726191 0.0000000), wk = 0.0028490 k( 107) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0028490 k( 108) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0028490 k( 109) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0028490 k( 110) = ( 0.1488095 0.1488095 -0.0000000), wk = 0.0028490 k( 111) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0028490 k( 112) = ( 0.1369048 0.1369048 0.0000000), wk = 0.0028490 k( 113) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0028490 k( 114) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0028490 k( 115) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0028490 k( 116) = ( 0.1130952 0.1130952 -0.0000000), wk = 0.0028490 k( 117) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0028490 k( 118) = ( 0.1011905 0.1011905 0.0000000), wk = 0.0028490 k( 119) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0028490 k( 120) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0028490 k( 121) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028490 k( 122) = ( 0.0773810 0.0773810 0.0000000), wk = 0.0028490 k( 123) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0028490 k( 124) = ( 0.0654762 0.0654762 -0.0000000), wk = 0.0028490 k( 125) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0028490 k( 126) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0028490 k( 127) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0028490 k( 128) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0028490 k( 129) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0028490 k( 130) = ( 0.0297619 0.0297619 -0.0000000), wk = 0.0028490 k( 131) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0028490 k( 132) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0028490 k( 133) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0028490 k( 134) = ( 0.0059524 0.0059524 0.0000000), wk = 0.0028490 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 137) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0028490 k( 138) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0028490 k( 139) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0028490 k( 140) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0028490 k( 141) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0028490 k( 142) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0028490 k( 143) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0028490 k( 144) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0028490 k( 145) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0028490 k( 146) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0028490 k( 147) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0028490 k( 148) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0028490 k( 149) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028490 k( 150) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0028490 k( 151) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0028490 k( 152) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0028490 k( 153) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0028490 k( 154) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0028490 k( 155) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0028490 k( 156) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0028490 k( 157) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0028490 k( 158) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0028490 k( 159) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0028490 k( 160) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0028490 k( 161) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0028490 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 164) = ( 0.0104167 -0.0000000 0.5000000), wk = 0.0028490 k( 165) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0028490 k( 166) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0028490 k( 167) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0028490 k( 168) = ( 0.0520833 0.0000000 0.5000000), wk = 0.0028490 k( 169) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0028490 k( 170) = ( 0.0729167 0.0000000 0.5000000), wk = 0.0028490 k( 171) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0028490 k( 172) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0028490 k( 173) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0028490 k( 174) = ( 0.1145833 -0.0000000 0.5000000), wk = 0.0028490 k( 175) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0028490 k( 176) = ( 0.1354167 0.0000000 0.5000000), wk = 0.0028490 k( 177) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0028490 k( 178) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0028490 k( 179) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0028490 k( 180) = ( 0.1770833 -0.0000000 0.5000000), wk = 0.0028490 k( 181) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0028490 k( 182) = ( 0.1979167 0.0000000 0.5000000), wk = 0.0028490 k( 183) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0028490 k( 184) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0028490 k( 185) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0028490 k( 186) = ( 0.2395833 -0.0000000 0.5000000), wk = 0.0028490 k( 187) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028490 k( 188) = ( 0.2604167 0.0000000 0.5000000), wk = 0.0028490 k( 189) = ( 0.2708333 0.0000000 0.5000000), wk = 0.0028490 k( 190) = ( 0.2812500 0.0000000 0.5000000), wk = 0.0028490 k( 191) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0028490 k( 192) = ( 0.3020833 0.0000000 0.5000000), wk = 0.0028490 k( 193) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0028490 k( 194) = ( 0.3229167 0.0000000 0.5000000), wk = 0.0028490 k( 195) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0028490 k( 196) = ( 0.3437500 -0.0000000 0.5000000), wk = 0.0028490 k( 197) = ( 0.3541667 -0.0000000 0.5000000), wk = 0.0028490 k( 198) = ( 0.3645833 -0.0000000 0.5000000), wk = 0.0028490 k( 199) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0028490 k( 200) = ( 0.3854167 0.0000000 0.5000000), wk = 0.0028490 k( 201) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0028490 k( 202) = ( 0.4062500 0.0000000 0.5000000), wk = 0.0028490 k( 203) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0028490 k( 204) = ( 0.4270833 -0.0000000 0.5000000), wk = 0.0028490 k( 205) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0028490 k( 206) = ( 0.4479167 0.0000000 0.5000000), wk = 0.0028490 k( 207) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0028490 k( 208) = ( 0.4687500 -0.0000000 0.5000000), wk = 0.0028490 k( 209) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0028490 k( 210) = ( 0.4895833 -0.0000000 0.5000000), wk = 0.0028490 k( 211) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028490 k( 212) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028490 k( 213) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0028490 k( 214) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0028490 k( 215) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0028490 k( 216) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0028490 k( 217) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0028490 k( 218) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0028490 k( 219) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0028490 k( 220) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0028490 k( 221) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0028490 k( 222) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0028490 k( 223) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0028490 k( 224) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0028490 k( 225) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0028490 k( 226) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028490 k( 227) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0028490 k( 228) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0028490 k( 229) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0028490 k( 230) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0028490 k( 231) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0028490 k( 232) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0028490 k( 233) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0028490 k( 234) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0028490 k( 235) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0028490 k( 236) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0028490 k( 237) = ( 0.3511905 0.2976191 0.5000000), wk = 0.0028490 k( 238) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0028490 k( 239) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0028490 k( 240) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028490 k( 241) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028490 k( 242) = ( 0.3273810 0.3273810 0.5000000), wk = 0.0028490 k( 243) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0028490 k( 244) = ( 0.3154762 0.3154762 0.5000000), wk = 0.0028490 k( 245) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0028490 k( 246) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0028490 k( 247) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0028490 k( 248) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0028490 k( 249) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0028490 k( 250) = ( 0.2797619 0.2797619 0.5000000), wk = 0.0028490 k( 251) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0028490 k( 252) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0028490 k( 253) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0028490 k( 254) = ( 0.2559524 0.2559524 0.5000000), wk = 0.0028490 k( 255) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028490 k( 256) = ( 0.2440476 0.2440476 0.5000000), wk = 0.0028490 k( 257) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0028490 k( 258) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0028490 k( 259) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0028490 k( 260) = ( 0.2202381 0.2202381 0.5000000), wk = 0.0028490 k( 261) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0028490 k( 262) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0028490 k( 263) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0028490 k( 264) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0028490 k( 265) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0028490 k( 266) = ( 0.1845238 0.1845238 0.5000000), wk = 0.0028490 k( 267) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0028490 k( 268) = ( 0.1726190 0.1726191 0.5000000), wk = 0.0028490 k( 269) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028490 k( 270) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0028490 k( 271) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0028490 k( 272) = ( 0.1488095 0.1488095 0.5000000), wk = 0.0028490 k( 273) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0028490 k( 274) = ( 0.1369048 0.1369048 0.5000000), wk = 0.0028490 k( 275) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0028490 k( 276) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028490 k( 277) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0028490 k( 278) = ( 0.1130952 0.1130952 0.5000000), wk = 0.0028490 k( 279) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0028490 k( 280) = ( 0.1011905 0.1011905 0.5000000), wk = 0.0028490 k( 281) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0028490 k( 282) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0028490 k( 283) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028490 k( 284) = ( 0.0773810 0.0773810 0.5000000), wk = 0.0028490 k( 285) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0028490 k( 286) = ( 0.0654762 0.0654762 0.5000000), wk = 0.0028490 k( 287) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0028490 k( 288) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0028490 k( 289) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0028490 k( 290) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0028490 k( 291) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0028490 k( 292) = ( 0.0297619 0.0297619 0.5000000), wk = 0.0028490 k( 293) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0028490 k( 294) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0028490 k( 295) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0028490 k( 296) = ( 0.0059524 0.0059524 0.5000000), wk = 0.0028490 k( 297) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 298) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028490 k( 299) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0028490 k( 300) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0028490 k( 301) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0028490 k( 302) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0028490 k( 303) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0028490 k( 304) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0028490 k( 305) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0028490 k( 306) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0028490 k( 307) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0028490 k( 308) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0028490 k( 309) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0028490 k( 310) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0028490 k( 311) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028490 k( 312) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0028490 k( 313) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0028490 k( 314) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0028490 k( 315) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0028490 k( 316) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0028490 k( 317) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0028490 k( 318) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0028490 k( 319) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0028490 k( 320) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0028490 k( 321) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0028490 k( 322) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0028490 k( 323) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0028490 k( 324) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028490 k( 325) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028490 k( 326) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0028490 k( 327) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0028490 k( 328) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0028490 k( 329) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0028490 k( 330) = ( 0.3333333 0.3333333 0.0961538), wk = 0.0028490 k( 331) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0028490 k( 332) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0028490 k( 333) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0028490 k( 334) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0028490 k( 335) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0028490 k( 336) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0028490 k( 337) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0028490 k( 338) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028490 k( 339) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0028490 k( 340) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0028490 k( 341) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0028490 k( 342) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0028490 k( 343) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0028490 k( 344) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0028490 k( 345) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0028490 k( 346) = ( 0.3333333 0.3333333 0.4038462), wk = 0.0028490 k( 347) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0028490 k( 348) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0028490 k( 349) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0028490 k( 350) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0028490 k( 351) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028490 Dense grid: 38155 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 23307 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 168, 52) NL pseudopotentials 0.22 Mb ( 84, 170) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1060) G-vector shells 0.00 Mb ( 520) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.53 Mb ( 168, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 170, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./HfxCuPx2.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 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.4 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.0 secs Computing kpt #: 13 total cpu time spent up to now is 8.4 secs Computing kpt #: 14 total cpu time spent up to now is 8.7 secs Computing kpt #: 15 total cpu time spent up to now is 9.0 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 total cpu time spent up to now is 9.7 secs Computing kpt #: 18 total cpu time spent up to now is 10.0 secs Computing kpt #: 19 total cpu time spent up to now is 10.4 secs Computing kpt #: 20 total cpu time spent up to now is 10.7 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.4 secs Computing kpt #: 23 total cpu time spent up to now is 11.7 secs Computing kpt #: 24 total cpu time spent up to now is 12.1 secs Computing kpt #: 25 total cpu time spent up to now is 12.4 secs Computing kpt #: 26 total cpu time spent up to now is 12.8 secs Computing kpt #: 27 total cpu time spent up to now is 13.1 secs Computing kpt #: 28 total cpu time spent up to now is 13.5 secs Computing kpt #: 29 total cpu time spent up to now is 13.8 secs Computing kpt #: 30 total cpu time spent up to now is 14.2 secs Computing kpt #: 31 total cpu time spent up to now is 14.5 secs Computing kpt #: 32 total cpu time spent up to now is 14.9 secs Computing kpt #: 33 total cpu time spent up to now is 15.2 secs Computing kpt #: 34 total cpu time spent up to now is 15.6 secs Computing kpt #: 35 total cpu time spent up to now is 15.9 secs Computing kpt #: 36 total cpu time spent up to now is 16.2 secs Computing kpt #: 37 total cpu time spent up to now is 16.6 secs Computing kpt #: 38 total cpu time spent up to now is 16.9 secs Computing kpt #: 39 total cpu time spent up to now is 17.2 secs Computing kpt #: 40 total cpu time spent up to now is 17.6 secs Computing kpt #: 41 total cpu time spent up to now is 17.9 secs Computing kpt #: 42 total cpu time spent up to now is 18.3 secs Computing kpt #: 43 total cpu time spent up to now is 18.6 secs Computing kpt #: 44 total cpu time spent up to now is 19.0 secs Computing kpt #: 45 total cpu time spent up to now is 19.3 secs Computing kpt #: 46 total cpu time spent up to now is 19.7 secs Computing kpt #: 47 total cpu time spent up to now is 20.0 secs Computing kpt #: 48 total cpu time spent up to now is 20.4 secs Computing kpt #: 49 total cpu time spent up to now is 20.7 secs Computing kpt #: 50 total cpu time spent up to now is 21.1 secs Computing kpt #: 51 total cpu time spent up to now is 21.4 secs Computing kpt #: 52 total cpu time spent up to now is 21.8 secs Computing kpt #: 53 total cpu time spent up to now is 22.2 secs Computing kpt #: 54 total cpu time spent up to now is 22.5 secs Computing kpt #: 55 total cpu time spent up to now is 22.9 secs Computing kpt #: 56 total cpu time spent up to now is 23.2 secs Computing kpt #: 57 total cpu time spent up to now is 23.6 secs Computing kpt #: 58 total cpu time spent up to now is 24.0 secs Computing kpt #: 59 total cpu time spent up to now is 24.3 secs Computing kpt #: 60 total cpu time spent up to now is 24.7 secs Computing kpt #: 61 total cpu time spent up to now is 25.1 secs Computing kpt #: 62 total cpu time spent up to now is 25.5 secs Computing kpt #: 63 total cpu time spent up to now is 26.0 secs Computing kpt #: 64 total cpu time spent up to now is 26.5 secs Computing kpt #: 65 total cpu time spent up to now is 26.9 secs Computing kpt #: 66 total cpu time spent up to now is 27.3 secs Computing kpt #: 67 total cpu time spent up to now is 27.7 secs Computing kpt #: 68 total cpu time spent up to now is 28.1 secs Computing kpt #: 69 total cpu time spent up to now is 28.5 secs Computing kpt #: 70 total cpu time spent up to now is 28.8 secs Computing kpt #: 71 total cpu time spent up to now is 29.2 secs Computing kpt #: 72 total cpu time spent up to now is 29.6 secs Computing kpt #: 73 total cpu time spent up to now is 29.9 secs Computing kpt #: 74 total cpu time spent up to now is 30.3 secs Computing kpt #: 75 total cpu time spent up to now is 30.7 secs Computing kpt #: 76 total cpu time spent up to now is 31.1 secs Computing kpt #: 77 total cpu time spent up to now is 31.4 secs Computing kpt #: 78 total cpu time spent up to now is 31.8 secs Computing kpt #: 79 total cpu time spent up to now is 32.1 secs Computing kpt #: 80 total cpu time spent up to now is 32.5 secs Computing kpt #: 81 total cpu time spent up to now is 32.8 secs Computing kpt #: 82 total cpu time spent up to now is 33.2 secs Computing kpt #: 83 total cpu time spent up to now is 33.6 secs Computing kpt #: 84 total cpu time spent up to now is 34.0 secs Computing kpt #: 85 total cpu time spent up to now is 34.3 secs Computing kpt #: 86 total cpu time spent up to now is 34.7 secs Computing kpt #: 87 total cpu time spent up to now is 35.0 secs Computing kpt #: 88 total cpu time spent up to now is 35.8 secs Computing kpt #: 89 total cpu time spent up to now is 36.2 secs Computing kpt #: 90 total cpu time spent up to now is 36.5 secs Computing kpt #: 91 total cpu time spent up to now is 36.9 secs Computing kpt #: 92 total cpu time spent up to now is 37.2 secs Computing kpt #: 93 total cpu time spent up to now is 37.5 secs Computing kpt #: 94 total cpu time spent up to now is 37.9 secs Computing kpt #: 95 total cpu time spent up to now is 38.2 secs Computing kpt #: 96 total cpu time spent up to now is 38.6 secs Computing kpt #: 97 total cpu time spent up to now is 38.9 secs Computing kpt #: 98 total cpu time spent up to now is 39.2 secs Computing kpt #: 99 total cpu time spent up to now is 39.6 secs Computing kpt #: 100 total cpu time spent up to now is 39.9 secs Computing kpt #: 101 total cpu time spent up to now is 40.2 secs Computing kpt #: 102 total cpu time spent up to now is 40.5 secs Computing kpt #: 103 total cpu time spent up to now is 40.9 secs Computing kpt #: 104 total cpu time spent up to now is 41.2 secs Computing kpt #: 105 total cpu time spent up to now is 41.5 secs Computing kpt #: 106 total cpu time spent up to now is 41.8 secs Computing kpt #: 107 total cpu time spent up to now is 42.1 secs Computing kpt #: 108 total cpu time spent up to now is 42.4 secs Computing kpt #: 109 total cpu time spent up to now is 42.8 secs Computing kpt #: 110 total cpu time spent up to now is 43.1 secs Computing kpt #: 111 total cpu time spent up to now is 43.4 secs Computing kpt #: 112 total cpu time spent up to now is 43.7 secs Computing kpt #: 113 total cpu time spent up to now is 44.1 secs Computing kpt #: 114 total cpu time spent up to now is 44.4 secs Computing kpt #: 115 total cpu time spent up to now is 44.7 secs Computing kpt #: 116 total cpu time spent up to now is 45.1 secs Computing kpt #: 117 total cpu time spent up to now is 45.4 secs Computing kpt #: 118 total cpu time spent up to now is 45.8 secs Computing kpt #: 119 total cpu time spent up to now is 46.1 secs Computing kpt #: 120 total cpu time spent up to now is 46.5 secs Computing kpt #: 121 total cpu time spent up to now is 46.8 secs Computing kpt #: 122 total cpu time spent up to now is 47.2 secs Computing kpt #: 123 total cpu time spent up to now is 47.5 secs Computing kpt #: 124 total cpu time spent up to now is 47.9 secs Computing kpt #: 125 total cpu time spent up to now is 48.2 secs Computing kpt #: 126 total cpu time spent up to now is 48.6 secs Computing kpt #: 127 total cpu time spent up to now is 48.9 secs Computing kpt #: 128 total cpu time spent up to now is 49.3 secs Computing kpt #: 129 total cpu time spent up to now is 49.6 secs Computing kpt #: 130 total cpu time spent up to now is 50.0 secs Computing kpt #: 131 total cpu time spent up to now is 50.4 secs Computing kpt #: 132 total cpu time spent up to now is 50.8 secs Computing kpt #: 133 total cpu time spent up to now is 51.1 secs Computing kpt #: 134 total cpu time spent up to now is 51.5 secs Computing kpt #: 135 total cpu time spent up to now is 51.8 secs Computing kpt #: 136 total cpu time spent up to now is 52.1 secs Computing kpt #: 137 total cpu time spent up to now is 52.5 secs Computing kpt #: 138 total cpu time spent up to now is 52.8 secs Computing kpt #: 139 total cpu time spent up to now is 53.2 secs Computing kpt #: 140 total cpu time spent up to now is 53.6 secs Computing kpt #: 141 total cpu time spent up to now is 53.9 secs Computing kpt #: 142 total cpu time spent up to now is 54.3 secs Computing kpt #: 143 total cpu time spent up to now is 54.6 secs Computing kpt #: 144 total cpu time spent up to now is 55.0 secs Computing kpt #: 145 total cpu time spent up to now is 55.3 secs Computing kpt #: 146 total cpu time spent up to now is 55.7 secs Computing kpt #: 147 total cpu time spent up to now is 56.0 secs Computing kpt #: 148 total cpu time spent up to now is 56.4 secs Computing kpt #: 149 total cpu time spent up to now is 56.7 secs Computing kpt #: 150 total cpu time spent up to now is 57.1 secs Computing kpt #: 151 total cpu time spent up to now is 57.4 secs Computing kpt #: 152 total cpu time spent up to now is 57.7 secs Computing kpt #: 153 total cpu time spent up to now is 58.1 secs Computing kpt #: 154 total cpu time spent up to now is 58.4 secs Computing kpt #: 155 total cpu time spent up to now is 58.7 secs Computing kpt #: 156 total cpu time spent up to now is 59.1 secs Computing kpt #: 157 total cpu time spent up to now is 59.4 secs Computing kpt #: 158 total cpu time spent up to now is 59.7 secs Computing kpt #: 159 total cpu time spent up to now is 60.0 secs Computing kpt #: 160 total cpu time spent up to now is 60.3 secs Computing kpt #: 161 total cpu time spent up to now is 60.7 secs Computing kpt #: 162 total cpu time spent up to now is 61.0 secs Computing kpt #: 163 total cpu time spent up to now is 61.3 secs Computing kpt #: 164 total cpu time spent up to now is 61.6 secs Computing kpt #: 165 total cpu time spent up to now is 62.0 secs Computing kpt #: 166 total cpu time spent up to now is 62.3 secs Computing kpt #: 167 total cpu time spent up to now is 62.6 secs Computing kpt #: 168 total cpu time spent up to now is 63.0 secs Computing kpt #: 169 total cpu time spent up to now is 63.3 secs Computing kpt #: 170 total cpu time spent up to now is 63.7 secs Computing kpt #: 171 total cpu time spent up to now is 64.0 secs Computing kpt #: 172 total cpu time spent up to now is 64.3 secs Computing kpt #: 173 total cpu time spent up to now is 64.7 secs Computing kpt #: 174 total cpu time spent up to now is 65.0 secs Computing kpt #: 175 total cpu time spent up to now is 65.4 secs Computing kpt #: 176 total cpu time spent up to now is 65.7 secs Computing kpt #: 177 total cpu time spent up to now is 66.0 secs Computing kpt #: 178 total cpu time spent up to now is 66.3 secs Computing kpt #: 179 total cpu time spent up to now is 66.7 secs Computing kpt #: 180 total cpu time spent up to now is 67.0 secs Computing kpt #: 181 total cpu time spent up to now is 67.3 secs Computing kpt #: 182 total cpu time spent up to now is 67.7 secs Computing kpt #: 183 total cpu time spent up to now is 68.0 secs Computing kpt #: 184 total cpu time spent up to now is 68.3 secs Computing kpt #: 185 total cpu time spent up to now is 68.7 secs Computing kpt #: 186 total cpu time spent up to now is 69.0 secs Computing kpt #: 187 total cpu time spent up to now is 69.4 secs Computing kpt #: 188 total cpu time spent up to now is 69.7 secs Computing kpt #: 189 total cpu time spent up to now is 70.1 secs Computing kpt #: 190 total cpu time spent up to now is 70.7 secs Computing kpt #: 191 total cpu time spent up to now is 71.0 secs Computing kpt #: 192 total cpu time spent up to now is 71.4 secs Computing kpt #: 193 total cpu time spent up to now is 71.7 secs Computing kpt #: 194 total cpu time spent up to now is 72.1 secs Computing kpt #: 195 total cpu time spent up to now is 72.4 secs Computing kpt #: 196 total cpu time spent up to now is 72.8 secs Computing kpt #: 197 total cpu time spent up to now is 73.2 secs Computing kpt #: 198 total cpu time spent up to now is 73.6 secs Computing kpt #: 199 total cpu time spent up to now is 73.9 secs Computing kpt #: 200 total cpu time spent up to now is 74.3 secs Computing kpt #: 201 total cpu time spent up to now is 74.6 secs Computing kpt #: 202 total cpu time spent up to now is 75.0 secs Computing kpt #: 203 total cpu time spent up to now is 75.4 secs Computing kpt #: 204 total cpu time spent up to now is 75.7 secs Computing kpt #: 205 total cpu time spent up to now is 76.1 secs Computing kpt #: 206 total cpu time spent up to now is 76.4 secs Computing kpt #: 207 total cpu time spent up to now is 76.8 secs Computing kpt #: 208 total cpu time spent up to now is 77.2 secs Computing kpt #: 209 total cpu time spent up to now is 77.5 secs Computing kpt #: 210 total cpu time spent up to now is 77.9 secs Computing kpt #: 211 total cpu time spent up to now is 78.3 secs Computing kpt #: 212 total cpu time spent up to now is 78.6 secs Computing kpt #: 213 total cpu time spent up to now is 79.0 secs Computing kpt #: 214 total cpu time spent up to now is 79.3 secs Computing kpt #: 215 total cpu time spent up to now is 79.7 secs Computing kpt #: 216 total cpu time spent up to now is 80.1 secs Computing kpt #: 217 total cpu time spent up to now is 80.5 secs Computing kpt #: 218 total cpu time spent up to now is 80.8 secs Computing kpt #: 219 total cpu time spent up to now is 81.2 secs Computing kpt #: 220 total cpu time spent up to now is 81.6 secs Computing kpt #: 221 total cpu time spent up to now is 81.9 secs Computing kpt #: 222 total cpu time spent up to now is 82.3 secs Computing kpt #: 223 total cpu time spent up to now is 82.6 secs Computing kpt #: 224 total cpu time spent up to now is 82.9 secs Computing kpt #: 225 total cpu time spent up to now is 83.3 secs Computing kpt #: 226 total cpu time spent up to now is 83.6 secs Computing kpt #: 227 total cpu time spent up to now is 83.9 secs Computing kpt #: 228 total cpu time spent up to now is 84.3 secs Computing kpt #: 229 total cpu time spent up to now is 84.6 secs Computing kpt #: 230 total cpu time spent up to now is 84.9 secs Computing kpt #: 231 total cpu time spent up to now is 85.2 secs Computing kpt #: 232 total cpu time spent up to now is 85.6 secs Computing kpt #: 233 total cpu time spent up to now is 85.9 secs Computing kpt #: 234 total cpu time spent up to now is 86.2 secs Computing kpt #: 235 total cpu time spent up to now is 86.6 secs Computing kpt #: 236 total cpu time spent up to now is 86.9 secs Computing kpt #: 237 total cpu time spent up to now is 87.2 secs Computing kpt #: 238 total cpu time spent up to now is 87.6 secs Computing kpt #: 239 total cpu time spent up to now is 88.0 secs Computing kpt #: 240 total cpu time spent up to now is 88.4 secs Computing kpt #: 241 total cpu time spent up to now is 88.8 secs Computing kpt #: 242 total cpu time spent up to now is 89.2 secs Computing kpt #: 243 total cpu time spent up to now is 89.5 secs Computing kpt #: 244 total cpu time spent up to now is 89.9 secs Computing kpt #: 245 total cpu time spent up to now is 90.2 secs Computing kpt #: 246 total cpu time spent up to now is 90.5 secs Computing kpt #: 247 total cpu time spent up to now is 90.9 secs Computing kpt #: 248 total cpu time spent up to now is 91.2 secs Computing kpt #: 249 total cpu time spent up to now is 91.5 secs Computing kpt #: 250 total cpu time spent up to now is 91.8 secs Computing kpt #: 251 total cpu time spent up to now is 92.2 secs Computing kpt #: 252 total cpu time spent up to now is 92.5 secs Computing kpt #: 253 total cpu time spent up to now is 92.8 secs Computing kpt #: 254 total cpu time spent up to now is 93.1 secs Computing kpt #: 255 total cpu time spent up to now is 93.4 secs Computing kpt #: 256 total cpu time spent up to now is 93.8 secs Computing kpt #: 257 total cpu time spent up to now is 94.1 secs Computing kpt #: 258 total cpu time spent up to now is 94.4 secs Computing kpt #: 259 total cpu time spent up to now is 94.8 secs Computing kpt #: 260 total cpu time spent up to now is 95.2 secs Computing kpt #: 261 total cpu time spent up to now is 95.5 secs Computing kpt #: 262 total cpu time spent up to now is 95.9 secs Computing kpt #: 263 total cpu time spent up to now is 96.2 secs Computing kpt #: 264 total cpu time spent up to now is 96.6 secs Computing kpt #: 265 total cpu time spent up to now is 97.0 secs Computing kpt #: 266 total cpu time spent up to now is 97.4 secs Computing kpt #: 267 total cpu time spent up to now is 97.8 secs Computing kpt #: 268 total cpu time spent up to now is 98.1 secs Computing kpt #: 269 total cpu time spent up to now is 98.5 secs Computing kpt #: 270 total cpu time spent up to now is 98.9 secs Computing kpt #: 271 total cpu time spent up to now is 99.3 secs Computing kpt #: 272 total cpu time spent up to now is 99.6 secs Computing kpt #: 273 total cpu time spent up to now is 100.0 secs Computing kpt #: 274 total cpu time spent up to now is 100.4 secs Computing kpt #: 275 total cpu time spent up to now is 100.8 secs Computing kpt #: 276 total cpu time spent up to now is 101.1 secs Computing kpt #: 277 total cpu time spent up to now is 101.5 secs Computing kpt #: 278 total cpu time spent up to now is 101.9 secs Computing kpt #: 279 total cpu time spent up to now is 102.3 secs Computing kpt #: 280 total cpu time spent up to now is 102.6 secs Computing kpt #: 281 total cpu time spent up to now is 103.0 secs Computing kpt #: 282 total cpu time spent up to now is 103.4 secs Computing kpt #: 283 total cpu time spent up to now is 103.8 secs Computing kpt #: 284 total cpu time spent up to now is 104.1 secs Computing kpt #: 285 total cpu time spent up to now is 104.5 secs Computing kpt #: 286 total cpu time spent up to now is 104.8 secs Computing kpt #: 287 total cpu time spent up to now is 105.1 secs Computing kpt #: 288 total cpu time spent up to now is 105.7 secs Computing kpt #: 289 total cpu time spent up to now is 106.1 secs Computing kpt #: 290 total cpu time spent up to now is 106.4 secs Computing kpt #: 291 total cpu time spent up to now is 106.8 secs Computing kpt #: 292 total cpu time spent up to now is 107.1 secs Computing kpt #: 293 total cpu time spent up to now is 107.5 secs Computing kpt #: 294 total cpu time spent up to now is 107.8 secs Computing kpt #: 295 total cpu time spent up to now is 108.1 secs Computing kpt #: 296 total cpu time spent up to now is 108.4 secs Computing kpt #: 297 total cpu time spent up to now is 108.8 secs Computing kpt #: 298 total cpu time spent up to now is 109.1 secs Computing kpt #: 299 total cpu time spent up to now is 109.5 secs Computing kpt #: 300 total cpu time spent up to now is 109.8 secs Computing kpt #: 301 total cpu time spent up to now is 110.2 secs Computing kpt #: 302 total cpu time spent up to now is 110.6 secs Computing kpt #: 303 total cpu time spent up to now is 111.0 secs Computing kpt #: 304 total cpu time spent up to now is 111.3 secs Computing kpt #: 305 total cpu time spent up to now is 111.7 secs Computing kpt #: 306 total cpu time spent up to now is 112.0 secs Computing kpt #: 307 total cpu time spent up to now is 112.4 secs Computing kpt #: 308 total cpu time spent up to now is 112.7 secs Computing kpt #: 309 total cpu time spent up to now is 113.1 secs Computing kpt #: 310 total cpu time spent up to now is 113.4 secs Computing kpt #: 311 total cpu time spent up to now is 113.8 secs Computing kpt #: 312 total cpu time spent up to now is 114.1 secs Computing kpt #: 313 total cpu time spent up to now is 114.5 secs Computing kpt #: 314 total cpu time spent up to now is 114.8 secs Computing kpt #: 315 total cpu time spent up to now is 115.2 secs Computing kpt #: 316 total cpu time spent up to now is 115.5 secs Computing kpt #: 317 total cpu time spent up to now is 115.9 secs Computing kpt #: 318 total cpu time spent up to now is 116.2 secs Computing kpt #: 319 total cpu time spent up to now is 116.6 secs Computing kpt #: 320 total cpu time spent up to now is 117.0 secs Computing kpt #: 321 total cpu time spent up to now is 117.3 secs Computing kpt #: 322 total cpu time spent up to now is 117.7 secs Computing kpt #: 323 total cpu time spent up to now is 118.1 secs Computing kpt #: 324 total cpu time spent up to now is 118.4 secs Computing kpt #: 325 total cpu time spent up to now is 118.7 secs Computing kpt #: 326 total cpu time spent up to now is 119.1 secs Computing kpt #: 327 total cpu time spent up to now is 119.4 secs Computing kpt #: 328 total cpu time spent up to now is 119.8 secs Computing kpt #: 329 total cpu time spent up to now is 120.2 secs Computing kpt #: 330 total cpu time spent up to now is 120.5 secs Computing kpt #: 331 total cpu time spent up to now is 120.9 secs Computing kpt #: 332 total cpu time spent up to now is 121.3 secs Computing kpt #: 333 total cpu time spent up to now is 121.6 secs Computing kpt #: 334 total cpu time spent up to now is 122.0 secs Computing kpt #: 335 total cpu time spent up to now is 122.4 secs Computing kpt #: 336 total cpu time spent up to now is 122.7 secs Computing kpt #: 337 total cpu time spent up to now is 123.1 secs Computing kpt #: 338 total cpu time spent up to now is 123.5 secs Computing kpt #: 339 total cpu time spent up to now is 123.9 secs Computing kpt #: 340 total cpu time spent up to now is 124.3 secs Computing kpt #: 341 total cpu time spent up to now is 124.7 secs Computing kpt #: 342 total cpu time spent up to now is 125.0 secs Computing kpt #: 343 total cpu time spent up to now is 125.4 secs Computing kpt #: 344 total cpu time spent up to now is 125.8 secs Computing kpt #: 345 total cpu time spent up to now is 126.3 secs Computing kpt #: 346 total cpu time spent up to now is 126.7 secs Computing kpt #: 347 total cpu time spent up to now is 127.1 secs Computing kpt #: 348 total cpu time spent up to now is 127.5 secs Computing kpt #: 349 total cpu time spent up to now is 127.9 secs Computing kpt #: 350 total cpu time spent up to now is 128.4 secs Computing kpt #: 351 total cpu time spent up to now is 128.8 secs ethr = 2.27E-08, avg # of iterations = 17.4 total cpu time spent up to now is 128.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2875 PWs) bands (ev): -50.1770 -50.1770 -24.5020 -24.5020 -16.8243 -16.8243 -16.7608 -16.7608 -0.8024 -0.8024 1.3743 1.3743 5.2862 5.2862 7.6160 7.6160 7.7047 7.7047 7.8442 7.8442 7.9057 7.9057 8.2145 8.2145 8.5107 8.5107 8.5802 8.5802 9.4711 9.4711 9.4805 9.4805 9.4817 9.4817 10.2900 10.2900 10.4287 10.4287 12.2511 12.2511 12.7107 12.7107 12.9368 12.9368 13.0000 13.0000 13.0376 13.0376 13.0396 13.0396 15.3314 15.3314 k = 0.0104 0.0060-0.0000 ( 2875 PWs) bands (ev): -50.1770 -50.1770 -24.5020 -24.5020 -16.8243 -16.8243 -16.7609 -16.7609 -0.8010 -0.8010 1.3745 1.3745 5.2877 5.2877 7.6154 7.6154 7.7038 7.7038 7.8443 7.8443 7.9054 7.9054 8.2141 8.2141 8.5109 8.5109 8.5803 8.5803 9.4658 9.4658 9.4772 9.4772 9.4890 9.4890 10.2881 10.2881 10.4268 10.4268 12.2555 12.2555 12.6993 12.6993 12.8751 12.8751 12.9744 12.9744 13.0593 13.0593 13.1125 13.1125 15.3389 15.3389 k = 0.0208 0.0120-0.0000 ( 2875 PWs) bands (ev): -50.1769 -50.1769 -24.5021 -24.5021 -16.8243 -16.8243 -16.7612 -16.7612 -0.7968 -0.7968 1.3750 1.3750 5.2924 5.2924 7.6136 7.6136 7.7010 7.7010 7.8445 7.8445 7.9045 7.9045 8.2128 8.2128 8.5115 8.5115 8.5806 8.5806 9.4553 9.4553 9.4759 9.4759 9.4972 9.4972 10.2820 10.2820 10.4214 10.4214 12.2682 12.2682 12.6630 12.6630 12.7889 12.7889 12.9282 12.9282 13.1388 13.1388 13.1899 13.1899 15.3268 15.3268 k = 0.0312 0.0180-0.0000 ( 2883 PWs) bands (ev): -50.1769 -50.1769 -24.5023 -24.5023 -16.8245 -16.8245 -16.7619 -16.7619 -0.7898 -0.7898 1.3757 1.3757 5.3003 5.3003 7.6102 7.6102 7.6967 7.6967 7.8443 7.8443 7.9034 7.9034 8.2106 8.2106 8.5125 8.5125 8.5811 8.5811 9.4431 9.4431 9.4745 9.4745 9.5047 9.5047 10.2710 10.2710 10.4138 10.4138 12.2870 12.2870 12.6008 12.6008 12.7034 12.7034 12.9027 12.9027 13.2155 13.2155 13.2687 13.2687 15.2654 15.2654 k = 0.0417 0.0241-0.0000 ( 2883 PWs) bands (ev): -50.1769 -50.1769 -24.5024 -24.5024 -16.8246 -16.8246 -16.7627 -16.7627 -0.7800 -0.7800 1.3768 1.3768 5.3112 5.3112 7.6049 7.6049 7.6917 7.6917 7.8431 7.8431 7.9026 7.9026 8.2076 8.2076 8.5139 8.5139 8.5819 8.5819 9.4298 9.4298 9.4727 9.4727 9.5113 9.5113 10.2543 10.2543 10.4058 10.4058 12.3057 12.3057 12.5226 12.5226 12.6223 12.6223 12.8932 12.8932 13.2853 13.2853 13.3497 13.3497 15.1945 15.1945 k = 0.0521 0.0301-0.0000 ( 2887 PWs) bands (ev): -50.1769 -50.1769 -24.5027 -24.5027 -16.8247 -16.8247 -16.7637 -16.7637 -0.7674 -0.7674 1.3782 1.3782 5.3253 5.3253 7.5972 7.5972 7.6866 7.6866 7.8397 7.8397 7.9028 7.9028 8.2039 8.2039 8.5157 8.5157 8.5829 8.5829 9.4155 9.4155 9.4705 9.4705 9.5171 9.5171 10.2314 10.2314 10.3987 10.3987 12.3016 12.3016 12.4582 12.4582 12.5448 12.5448 12.8935 12.8935 13.3466 13.3466 13.4334 13.4334 15.1203 15.1203 k = 0.0625 0.0361-0.0000 ( 2885 PWs) bands (ev): -50.1768 -50.1768 -24.5029 -24.5029 -16.8249 -16.8249 -16.7649 -16.7649 -0.7521 -0.7521 1.3799 1.3799 5.3424 5.3424 7.5866 7.5866 7.6820 7.6820 7.8333 7.8333 7.9048 7.9048 8.1994 8.1994 8.5178 8.5178 8.5842 8.5842 9.4003 9.4003 9.4678 9.4678 9.5220 9.5220 10.2026 10.2026 10.3933 10.3933 12.2369 12.2369 12.4479 12.4479 12.4718 12.4718 12.9001 12.9001 13.3998 13.3998 13.5187 13.5187 15.0467 15.0467 k = 0.0729 0.0421-0.0000 ( 2889 PWs) bands (ev): -50.1768 -50.1768 -24.5032 -24.5032 -16.8251 -16.8251 -16.7664 -16.7664 -0.7341 -0.7341 1.3819 1.3819 5.3625 5.3625 7.5731 7.5731 7.6783 7.6783 7.8234 7.8234 7.9087 7.9087 8.1942 8.1942 8.5201 8.5201 8.5857 8.5857 9.3843 9.3843 9.4646 9.4646 9.5260 9.5260 10.1687 10.1687 10.3897 10.3897 12.1347 12.1347 12.3940 12.3940 12.4782 12.4782 12.9110 12.9110 13.4459 13.4459 13.6046 13.6046 14.9768 14.9768 k = 0.0833 0.0481-0.0000 ( 2889 PWs) bands (ev): -50.1767 -50.1767 -24.5036 -24.5036 -16.8254 -16.8254 -16.7680 -16.7680 -0.7134 -0.7134 1.3841 1.3841 5.3856 5.3856 7.5567 7.5567 7.6756 7.6756 7.8097 7.8097 7.9147 7.9147 8.1884 8.1884 8.5227 8.5227 8.5875 8.5875 9.3675 9.3675 9.4609 9.4609 9.5293 9.5293 10.1311 10.1311 10.3876 10.3876 12.0214 12.0214 12.3222 12.3222 12.5117 12.5117 12.9251 12.9251 13.4856 13.4856 13.6898 13.6898 14.9136 14.9136 k = 0.0938 0.0541-0.0000 ( 2887 PWs) bands (ev): -50.1767 -50.1767 -24.5039 -24.5039 -16.8257 -16.8257 -16.7698 -16.7698 -0.6900 -0.6900 1.3866 1.3866 5.4117 5.4117 7.5378 7.5378 7.6735 7.6735 7.7925 7.7925 7.9224 7.9224 8.1820 8.1820 8.5256 8.5256 8.5896 8.5896 9.3499 9.3499 9.4568 9.4568 9.5316 9.5316 10.0908 10.0908 10.3868 10.3868 11.9044 11.9044 12.2517 12.2517 12.5438 12.5438 12.9418 12.9418 13.5200 13.5200 13.7735 13.7735 14.8601 14.8601 k = 0.1042 0.0601-0.0000 ( 2883 PWs) bands (ev): -50.1766 -50.1766 -24.5043 -24.5043 -16.8260 -16.8260 -16.7717 -16.7717 -0.6640 -0.6640 1.3893 1.3893 5.4407 5.4407 7.5169 7.5169 7.6718 7.6718 7.7720 7.7720 7.9316 7.9316 8.1751 8.1751 8.5286 8.5286 8.5919 8.5919 9.3318 9.3318 9.4522 9.4522 9.5332 9.5332 10.0489 10.0489 10.3870 10.3870 11.7865 11.7865 12.1828 12.1828 12.5698 12.5698 12.9604 12.9604 13.5501 13.5501 13.8546 13.8546 14.8192 14.8192 k = 0.1146 0.0662-0.0000 ( 2889 PWs) bands (ev): -50.1765 -50.1765 -24.5048 -24.5048 -16.8265 -16.8265 -16.7738 -16.7738 -0.6354 -0.6354 1.3922 1.3922 5.4724 5.4724 7.4942 7.4942 7.6694 7.6694 7.7488 7.7488 7.9420 7.9420 8.1678 8.1678 8.5317 8.5317 8.5945 8.5945 9.3130 9.3130 9.4471 9.4471 9.5339 9.5339 10.0061 10.0061 10.3879 10.3879 11.6692 11.6692 12.1156 12.1156 12.5861 12.5861 12.9801 12.9801 13.5772 13.5772 13.9319 13.9319 14.7933 14.7933 k = 0.1250 0.0722-0.0000 ( 2889 PWs) bands (ev): -50.1765 -50.1765 -24.5053 -24.5053 -16.8270 -16.8270 -16.7760 -16.7760 -0.6043 -0.6043 1.3953 1.3953 5.5070 5.5070 7.4701 7.4701 7.6645 7.6645 7.7246 7.7246 7.9537 7.9537 8.1601 8.1601 8.5350 8.5350 8.5975 8.5975 9.2938 9.2938 9.4415 9.4415 9.5337 9.5337 9.9632 9.9632 10.3894 10.3894 11.5534 11.5534 12.0501 12.0501 12.5900 12.5900 13.0000 13.0000 13.6029 13.6029 14.0045 14.0045 14.7845 14.7845 k = 0.1354 0.0782-0.0000 ( 2889 PWs) bands (ev): -50.1764 -50.1764 -24.5059 -24.5059 -16.8276 -16.8276 -16.7783 -16.7783 -0.5707 -0.5707 1.3985 1.3985 5.5441 5.5441 7.4451 7.4451 7.6517 7.6517 7.7046 7.7046 7.9664 7.9664 8.1521 8.1521 8.5383 8.5383 8.6007 8.6007 9.2742 9.2742 9.4356 9.4356 9.5327 9.5327 9.9207 9.9207 10.3914 10.3914 11.4398 11.4398 11.9864 11.9864 12.5794 12.5794 13.0195 13.0195 13.6289 13.6289 14.0709 14.0709 14.7938 14.7938 k = 0.1458 0.0842-0.0000 ( 2890 PWs) bands (ev): -50.1763 -50.1763 -24.5064 -24.5064 -16.8283 -16.8283 -16.7807 -16.7807 -0.5347 -0.5347 1.4020 1.4020 5.5839 5.5839 7.4193 7.4193 7.6255 7.6255 7.6942 7.6942 7.9800 7.9800 8.1438 8.1438 8.5417 8.5417 8.6043 8.6043 9.2543 9.2543 9.4292 9.4292 9.5308 9.5308 9.8790 9.8790 10.3937 10.3937 11.3292 11.3292 11.9243 11.9243 12.5535 12.5535 13.0380 13.0380 13.6568 13.6568 14.1300 14.1300 14.8211 14.8211 k = 0.1562 0.0902-0.0000 ( 2892 PWs) bands (ev): -50.1762 -50.1762 -24.5070 -24.5070 -16.8291 -16.8291 -16.7831 -16.7831 -0.4964 -0.4964 1.4055 1.4055 5.6260 5.6260 7.3930 7.3930 7.5888 7.5888 7.6906 7.6906 7.9944 7.9944 8.1354 8.1354 8.5452 8.5452 8.6081 8.6081 9.2341 9.2341 9.4224 9.4224 9.5280 9.5280 9.8385 9.8385 10.3963 10.3963 11.2219 11.2219 11.8639 11.8639 12.5120 12.5120 13.0552 13.0552 13.6877 13.6877 14.1810 14.1810 14.8654 14.8654 k = 0.1667 0.0962-0.0000 ( 2894 PWs) bands (ev): -50.1761 -50.1761 -24.5077 -24.5077 -16.8301 -16.8301 -16.7855 -16.7855 -0.4557 -0.4557 1.4091 1.4091 5.6705 5.6705 7.3664 7.3664 7.5455 7.5455 7.6897 7.6897 8.0094 8.0094 8.1270 8.1270 8.5487 8.5487 8.6122 8.6122 9.2139 9.2139 9.4153 9.4153 9.5242 9.5242 9.7995 9.7995 10.3991 10.3991 11.1185 11.1185 11.8050 11.8050 12.4558 12.4558 13.0714 13.0714 13.7222 13.7222 14.2232 14.2232 14.9253 14.9253 k = 0.1771 0.1022-0.0000 ( 2890 PWs) bands (ev): -50.1760 -50.1760 -24.5083 -24.5083 -16.8311 -16.8311 -16.7879 -16.7879 -0.4129 -0.4129 1.4127 1.4127 5.7172 5.7172 7.3396 7.3396 7.4976 7.4976 7.6899 7.6899 8.0248 8.0248 8.1188 8.1188 8.5523 8.5523 8.6166 8.6166 9.1936 9.1936 9.4080 9.4080 9.5192 9.5192 9.7623 9.7623 10.4020 10.4020 11.0191 11.0191 11.7477 11.7477 12.3867 12.3867 13.0866 13.0866 13.7601 13.7601 14.2567 14.2567 14.9986 14.9986 k = 0.1875 0.1083-0.0000 ( 2896 PWs) bands (ev): -50.1759 -50.1759 -24.5090 -24.5090 -16.8324 -16.8324 -16.7903 -16.7903 -0.3679 -0.3679 1.4164 1.4164 5.7658 5.7658 7.3125 7.3125 7.4461 7.4461 7.6905 7.6905 8.0399 8.0399 8.1113 8.1113 8.5560 8.5560 8.6212 8.6212 9.1733 9.1733 9.4003 9.4003 9.5131 9.5131 9.7271 9.7271 10.4050 10.4050 10.9241 10.9241 11.6918 11.6918 12.3067 12.3067 13.1008 13.1008 13.8013 13.8013 14.2822 14.2822 15.0832 15.0832 k = 0.1979 0.1143-0.0000 ( 2896 PWs) bands (ev): -50.1758 -50.1758 -24.5096 -24.5096 -16.8338 -16.8338 -16.7925 -16.7925 -0.3209 -0.3209 1.4200 1.4200 5.8162 5.8162 7.2842 7.2842 7.3922 7.3922 7.6914 7.6914 8.0533 8.0533 8.1059 8.1059 8.5597 8.5597 8.6260 8.6260 9.1531 9.1531 9.3925 9.3925 9.5056 9.5056 9.6940 9.6940 10.4080 10.4080 10.8338 10.8338 11.6372 11.6372 12.2178 12.2178 13.1142 13.1142 13.8452 13.8452 14.3009 14.3009 15.1772 15.1772 k = 0.2083 0.1203-0.0000 ( 2896 PWs) bands (ev): -50.1757 -50.1757 -24.5103 -24.5103 -16.8355 -16.8355 -16.7946 -16.7946 -0.2720 -0.2720 1.4236 1.4236 5.8681 5.8681 7.2527 7.2527 7.3389 7.3389 7.6924 7.6924 8.0617 8.0617 8.1060 8.1060 8.5636 8.5636 8.6308 8.6308 9.1332 9.1332 9.3846 9.3846 9.4967 9.4967 9.6633 9.6633 10.4110 10.4110 10.7482 10.7482 11.5839 11.5839 12.1223 12.1223 13.1266 13.1266 13.8917 13.8917 14.3143 14.3143 15.2783 15.2783 k = 0.2188 0.1263-0.0000 ( 2900 PWs) bands (ev): -50.1756 -50.1756 -24.5111 -24.5111 -16.8373 -16.8373 -16.7966 -16.7966 -0.2212 -0.2212 1.4270 1.4270 5.9213 5.9213 7.2127 7.2127 7.2919 7.2919 7.6935 7.6935 8.0617 8.0617 8.1147 8.1147 8.5676 8.5676 8.6358 8.6358 9.1135 9.1135 9.3766 9.3766 9.4863 9.4863 9.6352 9.6352 10.4138 10.4138 10.6674 10.6674 11.5318 11.5318 12.0217 12.0217 13.1380 13.1380 13.9401 13.9401 14.3240 14.3240 15.3843 15.3843 k = 0.2292 0.1323-0.0000 ( 2906 PWs) bands (ev): -50.1755 -50.1755 -24.5118 -24.5118 -16.8394 -16.8394 -16.7984 -16.7984 -0.1687 -0.1687 1.4304 1.4304 5.9753 5.9753 7.1592 7.1592 7.2568 7.2568 7.6946 7.6946 8.0561 8.0561 8.1293 8.1293 8.5718 8.5718 8.6407 8.6407 9.0943 9.0943 9.3686 9.3686 9.4740 9.4740 9.6096 9.6096 10.4164 10.4164 10.5915 10.5915 11.4809 11.4809 11.9177 11.9177 13.1484 13.1484 13.9903 13.9903 14.3318 14.3318 15.4929 15.4929 k = 0.2396 0.1383-0.0000 ( 2910 PWs) bands (ev): -50.1754 -50.1754 -24.5126 -24.5126 -16.8417 -16.8417 -16.8001 -16.8001 -0.1146 -0.1146 1.4335 1.4335 6.0297 6.0297 7.0954 7.0954 7.2314 7.2314 7.6957 7.6957 8.0481 8.0481 8.1463 8.1463 8.5761 8.5761 8.6456 8.6456 9.0756 9.0756 9.3608 9.3608 9.4602 9.4602 9.5866 9.5866 10.4186 10.4186 10.5204 10.5204 11.4310 11.4310 11.8115 11.8115 13.1578 13.1578 14.0417 14.0417 14.3392 14.3392 15.6008 15.6008 k = 0.2500 0.1443-0.0000 ( 2918 PWs) bands (ev): -50.1753 -50.1753 -24.5134 -24.5134 -16.8442 -16.8442 -16.8016 -16.8016 -0.0590 -0.0590 1.4365 1.4365 6.0840 6.0840 7.0259 7.0259 7.2118 7.2118 7.6967 7.6967 8.0390 8.0390 8.1643 8.1643 8.5808 8.5808 8.6504 8.6504 9.0575 9.0575 9.3532 9.3532 9.4450 9.4450 9.5659 9.5659 10.4202 10.4202 10.4543 10.4543 11.3821 11.3821 11.7043 11.7043 13.1659 13.1659 14.0939 14.0939 14.3476 14.3476 15.7037 15.7037 k = 0.2604 0.1504-0.0000 ( 2920 PWs) bands (ev): -50.1751 -50.1751 -24.5141 -24.5141 -16.8468 -16.8468 -16.8029 -16.8029 -0.0021 -0.0021 1.4391 1.4391 6.1372 6.1372 6.9536 6.9536 7.1965 7.1965 7.6976 7.6976 8.0295 8.0295 8.1827 8.1827 8.5858 8.5858 8.6549 8.6549 9.0402 9.0402 9.3458 9.3458 9.4287 9.4287 9.5472 9.5472 10.3913 10.3913 10.4229 10.4229 11.3343 11.3343 11.5971 11.5971 13.1730 13.1730 14.1462 14.1462 14.3585 14.3585 15.7948 15.7948 k = 0.2708 0.1564-0.0000 ( 2916 PWs) bands (ev): -50.1750 -50.1750 -24.5148 -24.5148 -16.8496 -16.8496 -16.8040 -16.8040 0.0561 0.0561 1.4414 1.4414 6.1883 6.1883 6.8803 6.8803 7.1848 7.1848 7.6985 7.6985 8.0199 8.0199 8.2011 8.2011 8.5911 8.5911 8.6592 8.6592 9.0239 9.0239 9.3388 9.3388 9.4120 9.4120 9.5300 9.5300 10.3342 10.3342 10.4234 10.4234 11.2875 11.2875 11.4905 11.4905 13.1788 13.1788 14.1973 14.1973 14.3736 14.3736 15.8641 15.8641 k = 0.2812 0.1624-0.0000 ( 2896 PWs) bands (ev): -50.1749 -50.1749 -24.5154 -24.5154 -16.8523 -16.8523 -16.8048 -16.8048 0.1153 0.1153 1.4434 1.4434 6.2355 6.2355 6.8081 6.8081 7.1770 7.1770 7.6994 7.6994 8.0101 8.0101 8.2192 8.2192 8.5969 8.5969 8.6632 8.6632 9.0086 9.0086 9.3321 9.3321 9.3955 9.3955 9.5138 9.5138 10.2811 10.2811 10.4236 10.4236 11.2417 11.2417 11.3856 11.3856 13.1835 13.1835 14.2457 14.2457 14.3949 14.3949 15.9010 15.9010 k = 0.2917 0.1684-0.0000 ( 2904 PWs) bands (ev): -50.1748 -50.1748 -24.5161 -24.5161 -16.8552 -16.8552 -16.8057 -16.8057 0.1753 0.1753 1.4449 1.4449 6.2758 6.2758 6.7399 6.7399 7.1732 7.1732 7.7001 7.7001 8.0002 8.0002 8.2367 8.2367 8.6030 8.6030 8.6666 8.6666 8.9943 8.9943 9.3256 9.3256 9.3795 9.3795 9.4981 9.4981 10.2318 10.2318 10.4231 10.4231 11.1968 11.1968 11.2828 11.2828 13.1870 13.1870 14.2891 14.2891 14.4244 14.4244 15.9012 15.9012 k = 0.3021 0.1744-0.0000 ( 2906 PWs) bands (ev): -50.1747 -50.1747 -24.5168 -24.5168 -16.8582 -16.8582 -16.8065 -16.8065 0.2360 0.2360 1.4459 1.4459 6.3040 6.3040 6.6810 6.6810 7.1737 7.1737 7.7008 7.7008 7.9905 7.9905 8.2536 8.2536 8.6095 8.6095 8.6696 8.6696 8.9814 8.9814 9.3189 9.3189 9.3649 9.3649 9.4827 9.4827 10.1863 10.1863 10.4215 10.4215 11.1518 11.1518 11.1841 11.1841 13.1892 13.1892 14.3265 14.3265 14.4632 14.4632 15.8698 15.8698 k = 0.3125 0.1804-0.0000 ( 2910 PWs) bands (ev): -50.1746 -50.1746 -24.5176 -24.5176 -16.8612 -16.8612 -16.8072 -16.8072 0.2973 0.2973 1.4463 1.4463 6.3118 6.3118 6.6393 6.6393 7.1791 7.1791 7.7013 7.7013 7.9808 7.9808 8.2696 8.2696 8.6164 8.6164 8.6720 8.6720 8.9697 8.9697 9.3115 9.3115 9.3526 9.3526 9.4673 9.4673 10.1441 10.1441 10.4189 10.4189 11.0813 11.0813 11.1155 11.1155 13.1903 13.1903 14.3591 14.3591 14.5096 14.5096 15.8158 15.8158 k = 0.3229 0.1864-0.0000 ( 2904 PWs) bands (ev): -50.1745 -50.1745 -24.5182 -24.5182 -16.8641 -16.8641 -16.8077 -16.8077 0.3589 0.3589 1.4461 1.4461 6.2923 6.2923 6.6217 6.6217 7.1896 7.1896 7.7018 7.7018 7.9713 7.9713 8.2847 8.2847 8.6237 8.6237 8.6739 8.6739 8.9593 8.9593 9.3029 9.3029 9.3435 9.3435 9.4519 9.4519 10.1051 10.1051 10.4151 10.4151 10.9892 10.9892 11.0737 11.0737 13.1901 13.1901 14.3893 14.3893 14.5605 14.5605 15.7478 15.7478 k = 0.3333 0.1925-0.0000 ( 2904 PWs) bands (ev): -50.1744 -50.1744 -24.5188 -24.5188 -16.8670 -16.8670 -16.8082 -16.8082 0.4205 0.4205 1.4452 1.4452 6.2480 6.2480 6.6255 6.6255 7.2056 7.2056 7.7023 7.7023 7.9620 7.9620 8.2987 8.2987 8.6313 8.6313 8.6752 8.6752 8.9504 8.9504 9.2929 9.2929 9.3380 9.3380 9.4362 9.4362 10.0688 10.0688 10.4099 10.4099 10.8998 10.8998 11.0349 11.0349 13.1887 13.1887 14.4189 14.4189 14.6131 14.6131 15.6726 15.6726 k = 0.3438 0.1985-0.0000 ( 2910 PWs) bands (ev): -50.1743 -50.1743 -24.5195 -24.5195 -16.8699 -16.8699 -16.8086 -16.8086 0.4820 0.4820 1.4434 1.4434 6.1884 6.1884 6.6412 6.6412 7.2269 7.2269 7.7026 7.7026 7.9529 7.9529 8.3116 8.3116 8.6390 8.6390 8.6761 8.6761 8.9426 8.9426 9.2820 9.2820 9.3356 9.3356 9.4203 9.4203 10.0349 10.0349 10.4032 10.4032 10.8148 10.8148 10.9984 10.9984 13.1861 13.1861 14.4490 14.4490 14.6646 14.6646 15.5961 15.5961 k = 0.3542 0.2045-0.0000 ( 2910 PWs) bands (ev): -50.1742 -50.1742 -24.5201 -24.5201 -16.8727 -16.8727 -16.8090 -16.8090 0.5432 0.5432 1.4408 1.4408 6.1216 6.1216 6.6612 6.6612 7.2535 7.2535 7.7029 7.7029 7.9441 7.9441 8.3234 8.3234 8.6466 8.6466 8.6767 8.6767 8.9362 8.9362 9.2712 9.2712 9.3357 9.3357 9.4043 9.4043 10.0032 10.0032 10.3948 10.3948 10.7346 10.7346 10.9643 10.9643 13.1823 13.1823 14.4798 14.4798 14.7125 14.7125 15.5237 15.5237 k = 0.3646 0.2105-0.0000 ( 2916 PWs) bands (ev): -50.1741 -50.1741 -24.5207 -24.5207 -16.8754 -16.8754 -16.8093 -16.8093 0.6037 0.6037 1.4372 1.4372 6.0523 6.0523 6.6815 6.6815 7.2846 7.2846 7.7032 7.7032 7.9357 7.9357 8.3339 8.3339 8.6537 8.6537 8.6774 8.6774 8.9309 8.9309 9.2608 9.2608 9.3378 9.3378 9.3883 9.3883 9.9732 9.9732 10.3846 10.3846 10.6597 10.6597 10.9327 10.9327 13.1774 13.1774 14.5109 14.5109 14.7536 14.7536 15.4609 15.4609 k = 0.3750 0.2165-0.0000 ( 2918 PWs) bands (ev): -50.1740 -50.1740 -24.5213 -24.5213 -16.8779 -16.8779 -16.8096 -16.8096 0.6634 0.6634 1.4325 1.4325 5.9829 5.9829 6.7003 6.7003 7.3193 7.3193 7.7036 7.7036 7.9275 7.9275 8.3434 8.3434 8.6596 8.6596 8.6789 8.6789 8.9266 8.9266 9.2513 9.2513 9.3412 9.3412 9.3727 9.3727 9.9447 9.9447 10.3727 10.3727 10.5904 10.5904 10.9039 10.9039 13.1714 13.1714 14.5416 14.5416 14.7844 14.7844 15.4137 15.4137 k = 0.3854 0.2225-0.0000 ( 2918 PWs) bands (ev): -50.1740 -50.1740 -24.5217 -24.5217 -16.8803 -16.8803 -16.8098 -16.8098 0.7219 0.7219 1.4266 1.4266 5.9153 5.9153 6.7169 6.7169 7.3567 7.3567 7.7040 7.7040 7.9198 7.9198 8.3517 8.3517 8.6634 8.6634 8.6821 8.6821 8.9233 8.9233 9.2428 9.2428 9.3435 9.3435 9.3599 9.3599 9.9175 9.9175 10.3589 10.3589 10.5271 10.5271 10.8779 10.8779 13.1643 13.1643 14.5703 14.5703 14.8018 14.8018 15.3875 15.3875 k = 0.3958 0.2285-0.0000 ( 2922 PWs) bands (ev): -50.1739 -50.1739 -24.5222 -24.5222 -16.8826 -16.8826 -16.8100 -16.8100 0.7791 0.7791 1.4194 1.4194 5.8504 5.8504 6.7313 6.7313 7.3953 7.3953 7.7046 7.7046 7.9124 7.9124 8.3589 8.3589 8.6649 8.6649 8.6869 8.6869 8.9206 8.9206 9.2355 9.2355 9.3352 9.3352 9.3594 9.3594 9.8912 9.8912 10.3435 10.3435 10.4702 10.4702 10.8549 10.8549 13.1564 13.1564 14.5943 14.5943 14.8067 14.8067 15.3850 15.3850 k = 0.4062 0.2345-0.0000 ( 2922 PWs) bands (ev): -50.1738 -50.1738 -24.5227 -24.5227 -16.8846 -16.8846 -16.8102 -16.8102 0.8346 0.8346 1.4107 1.4107 5.7892 5.7892 6.7437 6.7437 7.4341 7.4341 7.7053 7.7053 7.9056 7.9056 8.3652 8.3652 8.6651 8.6651 8.6926 8.6926 8.9186 8.9186 9.2294 9.2294 9.3210 9.3210 9.3666 9.3666 9.8659 9.8659 10.3266 10.3266 10.4198 10.4198 10.8348 10.8348 13.1479 13.1479 14.6091 14.6091 14.8054 14.8054 15.4043 15.4043 k = 0.4167 0.2406-0.0000 ( 2930 PWs) bands (ev): -50.1738 -50.1738 -24.5231 -24.5231 -16.8865 -16.8865 -16.8103 -16.8103 0.8881 0.8881 1.4004 1.4004 5.7325 5.7325 6.7543 6.7543 7.4718 7.4718 7.7063 7.7063 7.8991 7.8991 8.3706 8.3706 8.6646 8.6646 8.6983 8.6983 8.9170 8.9170 9.2246 9.2246 9.3063 9.3063 9.3756 9.3756 9.8415 9.8415 10.3084 10.3084 10.3763 10.3763 10.8176 10.8176 13.1388 13.1388 14.6100 14.6100 14.8074 14.8074 15.4406 15.4406 k = 0.4271 0.2466-0.0000 ( 2930 PWs) bands (ev): -50.1737 -50.1737 -24.5235 -24.5235 -16.8882 -16.8882 -16.8105 -16.8105 0.9395 0.9395 1.3884 1.3884 5.6809 5.6809 6.7633 6.7633 7.5072 7.5072 7.7078 7.7078 7.8932 7.8932 8.3752 8.3752 8.6640 8.6640 8.7036 8.7036 8.9158 8.9158 9.2211 9.2211 9.2922 9.2922 9.3855 9.3855 9.8181 9.8181 10.2893 10.2893 10.3396 10.3396 10.8030 10.8030 13.1296 13.1296 14.5965 14.5965 14.8182 14.8182 15.4887 15.4887 k = 0.4375 0.2526-0.0000 ( 2932 PWs) bands (ev): -50.1737 -50.1737 -24.5238 -24.5238 -16.8897 -16.8897 -16.8106 -16.8106 0.9884 0.9884 1.3745 1.3745 5.6349 5.6349 6.7709 6.7709 7.5393 7.5393 7.7098 7.7098 7.8878 7.8878 8.3790 8.3790 8.6633 8.6633 8.7083 8.7083 8.9149 8.9149 9.2188 9.2188 9.2790 9.2790 9.3958 9.3958 9.7962 9.7962 10.2699 10.2699 10.3098 10.3098 10.7910 10.7910 13.1206 13.1206 14.5737 14.5737 14.8360 14.8360 15.5446 15.5446 k = 0.4479 0.2586-0.0000 ( 2928 PWs) bands (ev): -50.1736 -50.1736 -24.5240 -24.5240 -16.8909 -16.8909 -16.8106 -16.8106 1.0345 1.0345 1.3587 1.3587 5.5950 5.5950 6.7772 6.7772 7.5671 7.5671 7.7125 7.7125 7.8830 7.8830 8.3822 8.3822 8.6628 8.6628 8.7124 8.7124 8.9143 8.9143 9.2176 9.2176 9.2670 9.2670 9.4059 9.4059 9.7761 9.7761 10.2510 10.2510 10.2863 10.2863 10.7812 10.7812 13.1121 13.1121 14.5480 14.5480 14.8565 14.8565 15.6053 15.6053 k = 0.4583 0.2646-0.0000 ( 2928 PWs) bands (ev): -50.1736 -50.1736 -24.5242 -24.5242 -16.8920 -16.8920 -16.8107 -16.8107 1.0775 1.0775 1.3410 1.3410 5.5618 5.5618 6.7823 6.7823 7.5898 7.5898 7.7160 7.7160 7.8788 7.8788 8.3847 8.3847 8.6623 8.6623 8.7158 8.7158 8.9138 8.9138 9.2175 9.2175 9.2563 9.2563 9.4153 9.4153 9.7583 9.7583 10.2341 10.2341 10.2680 10.2680 10.7736 10.7736 13.1045 13.1045 14.5235 14.5235 14.8765 14.8765 15.6688 15.6688 k = 0.4688 0.2706-0.0000 ( 2930 PWs) bands (ev): -50.1736 -50.1736 -24.5244 -24.5244 -16.8928 -16.8928 -16.8107 -16.8107 1.1170 1.1170 1.3216 1.3216 5.5356 5.5356 6.7862 6.7862 7.6071 7.6071 7.7199 7.7199 7.8754 7.8754 8.3866 8.3866 8.6619 8.6619 8.7184 8.7184 8.9134 8.9134 9.2184 9.2184 9.2470 9.2470 9.4234 9.4234 9.7435 9.7435 10.2203 10.2203 10.2541 10.2541 10.7678 10.7678 13.0981 13.0981 14.5028 14.5028 14.8939 14.8939 15.7332 15.7332 k = 0.4792 0.2766-0.0000 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5244 -24.5244 -16.8933 -16.8933 -16.8107 -16.8107 1.1519 1.1519 1.3012 1.3012 5.5166 5.5166 6.7890 6.7890 7.6189 7.6189 7.7237 7.7237 7.8727 7.8727 8.3880 8.3880 8.6617 8.6617 8.7203 8.7203 8.9133 8.9133 9.2204 9.2204 9.2391 9.2391 9.4297 9.4297 9.7324 9.7324 10.2102 10.2102 10.2442 10.2442 10.7639 10.7639 13.0933 13.0933 14.4873 14.4873 14.9072 14.9072 15.7959 15.7959 k = 0.4896 0.2827-0.0000 ( 2930 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8937 -16.8937 -16.8108 -16.8108 1.1795 1.1795 1.2824 1.2824 5.5051 5.5051 6.7907 6.7907 7.6256 7.6256 7.7265 7.7265 7.8711 7.8711 8.3888 8.3888 8.6616 8.6616 8.7213 8.7213 8.9132 8.9132 9.2232 9.2232 9.2327 9.2327 9.4337 9.4337 9.7254 9.7254 10.2041 10.2041 10.2382 10.2382 10.7615 10.7615 13.0903 13.0903 14.4777 14.4777 14.9156 14.9156 15.8507 15.8507 k = 0.5000 0.2887-0.0000 ( 2926 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8938 -16.8938 -16.8108 -16.8108 1.1915 1.1915 1.2733 1.2733 5.5013 5.5013 6.7913 6.7913 7.6278 7.6278 7.7276 7.7276 7.8705 7.8705 8.3890 8.3890 8.6615 8.6615 8.7217 8.7217 8.9131 8.9131 9.2262 9.2262 9.2285 9.2285 9.4351 9.4351 9.7231 9.7231 10.2021 10.2021 10.2362 10.2362 10.7607 10.7607 13.0893 13.0893 14.4745 14.4745 14.9184 14.9184 15.8771 15.8771 k = 0.5000 0.2887-0.0000 ( 2926 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8938 -16.8938 -16.8108 -16.8108 1.1915 1.1915 1.2733 1.2733 5.5013 5.5013 6.7913 6.7913 7.6278 7.6278 7.7276 7.7276 7.8705 7.8705 8.3890 8.3890 8.6615 8.6615 8.7217 8.7217 8.9131 8.9131 9.2262 9.2262 9.2285 9.2285 9.4351 9.4351 9.7231 9.7231 10.2021 10.2021 10.2362 10.2362 10.7607 10.7607 13.0893 13.0893 14.4745 14.4745 14.9184 14.9184 15.8771 15.8771 k = 0.4940 0.2990-0.0000 ( 2924 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8937 -16.8937 -16.8109 -16.8109 1.1921 1.1921 1.2736 1.2736 5.5027 5.5027 6.7904 6.7904 7.6275 7.6275 7.7274 7.7274 7.8707 7.8707 8.3863 8.3863 8.6612 8.6612 8.7219 8.7219 8.9136 8.9136 9.2243 9.2243 9.2305 9.2305 9.4344 9.4344 9.7239 9.7239 10.1986 10.1986 10.2325 10.2325 10.7655 10.7655 13.0964 13.0964 14.4714 14.4714 14.9147 14.9147 15.8750 15.8750 k = 0.4881 0.3093-0.0000 ( 2928 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8937 -16.8937 -16.8111 -16.8111 1.1940 1.1940 1.2746 1.2746 5.5070 5.5070 6.7876 6.7876 7.6267 7.6267 7.7270 7.7270 7.8712 7.8712 8.3781 8.3781 8.6603 8.6603 8.7225 8.7225 8.9152 8.9152 9.2215 9.2215 9.2334 9.2334 9.4325 9.4325 9.7261 9.7261 10.1884 10.1884 10.2218 10.2218 10.7794 10.7794 13.1175 13.1175 14.4620 14.4620 14.9037 14.9037 15.8689 15.8689 k = 0.4821 0.3196-0.0000 ( 2930 PWs) bands (ev): -50.1735 -50.1735 -24.5247 -24.5247 -16.8935 -16.8935 -16.8115 -16.8115 1.1970 1.1970 1.2763 1.2763 5.5142 5.5142 6.7832 6.7832 7.6253 7.6253 7.7262 7.7262 7.8720 7.8720 8.3644 8.3644 8.6587 8.6587 8.7237 8.7237 8.9177 8.9177 9.2185 9.2185 9.2367 9.2367 9.4294 9.4294 9.7296 9.7296 10.1725 10.1725 10.2051 10.2051 10.8011 10.8011 13.1518 13.1518 14.4466 14.4466 14.8860 14.8860 15.8594 15.8594 k = 0.4762 0.3299-0.0000 ( 2924 PWs) bands (ev): -50.1735 -50.1735 -24.5247 -24.5247 -16.8932 -16.8932 -16.8120 -16.8120 1.2011 1.2011 1.2787 1.2787 5.5242 5.5242 6.7770 6.7770 7.6233 7.6233 7.7250 7.7250 7.8732 7.8732 8.3454 8.3454 8.6566 8.6566 8.7254 8.7254 8.9211 8.9211 9.2154 9.2154 9.2403 9.2403 9.4253 9.4253 9.7343 9.7343 10.1520 10.1520 10.1838 10.1838 10.8293 10.8293 13.1982 13.1982 14.4252 14.4252 14.8623 14.8623 15.8470 15.8470 k = 0.4702 0.3402-0.0000 ( 2928 PWs) bands (ev): -50.1735 -50.1735 -24.5248 -24.5248 -16.8929 -16.8929 -16.8128 -16.8128 1.2064 1.2064 1.2817 1.2817 5.5371 5.5371 6.7692 6.7692 7.6204 7.6204 7.7232 7.7232 7.8746 7.8746 8.3213 8.3213 8.6539 8.6539 8.7277 8.7277 8.9253 8.9253 9.2120 9.2120 9.2444 9.2444 9.4203 9.4203 9.7398 9.7398 10.1281 10.1281 10.1594 10.1594 10.8621 10.8621 13.2552 13.2552 14.3981 14.3981 14.8335 14.8335 15.8324 15.8324 k = 0.4643 0.3505-0.0000 ( 2936 PWs) bands (ev): -50.1735 -50.1735 -24.5249 -24.5249 -16.8926 -16.8926 -16.8136 -16.8136 1.2126 1.2126 1.2854 1.2854 5.5527 5.5527 6.7599 6.7599 7.6163 7.6163 7.7208 7.7208 7.8763 7.8763 8.2923 8.2923 8.6508 8.6508 8.7305 8.7305 8.9300 8.9300 9.2083 9.2083 9.2488 9.2488 9.4146 9.4146 9.7458 9.7458 10.1020 10.1020 10.1334 10.1334 10.8983 10.8983 13.3210 13.3210 14.3659 14.3659 14.8009 14.8009 15.8162 15.8162 k = 0.4583 0.3608-0.0000 ( 2940 PWs) bands (ev): -50.1735 -50.1735 -24.5251 -24.5251 -16.8922 -16.8922 -16.8146 -16.8146 1.2198 1.2198 1.2899 1.2899 5.5712 5.5712 6.7493 6.7493 7.6108 7.6108 7.7177 7.7177 7.8781 7.8781 8.2591 8.2591 8.6472 8.6472 8.7339 8.7339 8.9355 8.9355 9.2045 9.2045 9.2537 9.2537 9.4083 9.4083 9.7518 9.7518 10.0749 10.0749 10.1072 10.1072 10.9366 10.9366 13.3937 13.3937 14.3291 14.3291 14.7657 14.7657 15.7988 15.7988 k = 0.4524 0.3712-0.0000 ( 2936 PWs) bands (ev): -50.1735 -50.1735 -24.5251 -24.5251 -16.8917 -16.8917 -16.8157 -16.8157 1.2277 1.2277 1.2951 1.2951 5.5924 5.5924 6.7374 6.7374 7.6031 7.6031 7.7138 7.7138 7.8801 7.8801 8.2224 8.2224 8.6432 8.6432 8.7379 8.7379 8.9414 8.9414 9.2006 9.2006 9.2592 9.2592 9.4018 9.4018 9.7575 9.7575 10.0475 10.0475 10.0821 10.0821 10.9763 10.9763 13.4709 13.4709 14.2888 14.2888 14.7291 14.7291 15.7806 15.7806 k = 0.4464 0.3815-0.0000 ( 2942 PWs) bands (ev): -50.1735 -50.1735 -24.5253 -24.5253 -16.8912 -16.8912 -16.8169 -16.8169 1.2363 1.2363 1.3011 1.3011 5.6163 5.6163 6.7245 6.7245 7.5924 7.5924 7.7091 7.7091 7.8822 7.8822 8.1836 8.1836 8.6389 8.6389 8.7423 8.7423 8.9478 8.9478 9.1965 9.1965 9.2651 9.2651 9.3949 9.3949 9.7621 9.7621 10.0207 10.0207 10.0593 10.0593 11.0162 11.0162 13.5498 13.5498 14.2467 14.2467 14.6925 14.6925 15.7618 15.7618 k = 0.4405 0.3918-0.0000 ( 2940 PWs) bands (ev): -50.1734 -50.1734 -24.5254 -24.5254 -16.8905 -16.8905 -16.8182 -16.8182 1.2453 1.2453 1.3079 1.3079 5.6429 5.6429 6.7107 6.7107 7.5774 7.5774 7.7037 7.7037 7.8844 7.8844 8.1440 8.1440 8.6345 8.6345 8.7470 8.7470 8.9546 8.9546 9.1923 9.1923 9.2716 9.2716 9.3880 9.3880 9.7653 9.7653 9.9953 9.9953 10.0395 10.0395 11.0559 11.0559 13.6265 13.6265 14.2059 14.2059 14.6569 14.6569 15.7425 15.7425 k = 0.4345 0.4021-0.0000 ( 2940 PWs) bands (ev): -50.1734 -50.1734 -24.5255 -24.5255 -16.8899 -16.8899 -16.8196 -16.8196 1.2546 1.2546 1.3156 1.3156 5.6720 5.6720 6.6962 6.6962 7.5564 7.5564 7.6980 7.6980 7.8866 7.8866 8.1055 8.1055 8.6297 8.6297 8.7521 8.7521 8.9617 8.9617 9.1880 9.1880 9.2784 9.2784 9.3810 9.3810 9.7661 9.7661 9.9720 9.9720 10.0235 10.0235 11.0947 11.0947 13.6946 13.6946 14.1716 14.1716 14.6238 14.6238 15.7228 15.7228 k = 0.4286 0.4124-0.0000 ( 2940 PWs) bands (ev): -50.1734 -50.1734 -24.5257 -24.5257 -16.8892 -16.8892 -16.8211 -16.8211 1.2640 1.2640 1.3241 1.3241 5.7037 5.7037 6.6812 6.6812 7.5279 7.5279 7.6924 7.6924 7.8887 7.8887 8.0699 8.0699 8.6249 8.6249 8.7574 8.7574 8.9692 8.9692 9.1838 9.1838 9.2856 9.2856 9.3741 9.3741 9.7640 9.7640 9.9516 9.9516 10.0115 10.0115 11.1320 11.1320 13.7441 13.7441 14.1534 14.1534 14.5944 14.5944 15.7028 15.7028 k = 0.4226 0.4227-0.0000 ( 2936 PWs) bands (ev): -50.1734 -50.1734 -24.5258 -24.5258 -16.8885 -16.8885 -16.8226 -16.8226 1.2733 1.2733 1.3335 1.3335 5.7379 5.7379 6.6659 6.6659 7.4906 7.4906 7.6873 7.6873 7.8908 7.8908 8.0386 8.0386 8.6199 8.6199 8.7628 8.7628 8.9769 8.9769 9.1797 9.1797 9.2930 9.2930 9.3676 9.3676 9.7582 9.7582 9.9349 9.9349 10.0035 10.0035 11.1674 11.1674 13.7630 13.7630 14.1621 14.1621 14.5701 14.5701 15.6824 15.6824 k = 0.4167 0.4330-0.0000 ( 2932 PWs) bands (ev): -50.1733 -50.1733 -24.5259 -24.5259 -16.8878 -16.8878 -16.8241 -16.8241 1.2825 1.2825 1.3437 1.3437 5.7744 5.7744 6.6504 6.6504 7.4440 7.4440 7.6830 7.6830 7.8927 7.8927 8.0126 8.0126 8.6149 8.6149 8.7683 8.7683 8.9849 8.9849 9.1756 9.1756 9.3003 9.3003 9.3617 9.3617 9.7484 9.7484 9.9224 9.9224 9.9993 9.9993 11.2005 11.2005 13.7487 13.7487 14.1994 14.1994 14.5525 14.5525 15.6618 15.6618 k = 0.4107 0.4433-0.0000 ( 2936 PWs) bands (ev): -50.1733 -50.1733 -24.5261 -24.5261 -16.8870 -16.8870 -16.8257 -16.8257 1.2915 1.2915 1.3545 1.3545 5.8133 5.8133 6.6349 6.6349 7.3888 7.3888 7.6793 7.6793 7.8944 7.8944 7.9920 7.9920 8.6099 8.6099 8.7738 8.7738 8.9930 8.9930 9.1717 9.1717 9.3070 9.3070 9.3569 9.3569 9.7350 9.7350 9.9138 9.9138 9.9984 9.9984 11.2309 11.2309 13.7105 13.7105 14.2537 14.2537 14.5441 14.5441 15.6409 15.6409 k = 0.4048 0.4536-0.0000 ( 2942 PWs) bands (ev): -50.1733 -50.1733 -24.5263 -24.5263 -16.8863 -16.8863 -16.8274 -16.8274 1.3002 1.3002 1.3658 1.3658 5.8543 5.8543 6.6197 6.6197 7.3260 7.3260 7.6765 7.6765 7.8961 7.8961 7.9763 7.9763 8.6050 8.6050 8.7791 8.7791 9.0013 9.0013 9.1679 9.1679 9.3121 9.3121 9.3544 9.3544 9.7186 9.7186 9.9088 9.9088 10.0004 10.0004 11.2585 11.2585 13.6593 13.6593 14.3110 14.3110 14.5488 14.5488 15.6197 15.6197 k = 0.3988 0.4639-0.0000 ( 2938 PWs) bands (ev): -50.1733 -50.1733 -24.5264 -24.5264 -16.8855 -16.8855 -16.8290 -16.8290 1.3086 1.3086 1.3774 1.3774 5.8975 5.8975 6.6049 6.6049 7.2574 7.2574 7.6742 7.6742 7.8975 7.8975 7.9648 7.9648 8.6002 8.6002 8.7843 8.7843 9.0096 9.0096 9.1643 9.1643 9.3144 9.3144 9.3555 9.3555 9.7002 9.7002 9.9066 9.9066 10.0045 10.0045 11.2829 11.2829 13.6018 13.6018 14.3600 14.3600 14.5715 14.5715 15.5983 15.5983 k = 0.3929 0.4743-0.0000 ( 2930 PWs) bands (ev): -50.1732 -50.1732 -24.5265 -24.5265 -16.8848 -16.8848 -16.8304 -16.8304 1.3167 1.3167 1.3889 1.3889 5.9426 5.9426 6.5907 6.5907 7.1845 7.1845 7.6725 7.6725 7.8989 7.8989 7.9566 7.9566 8.5956 8.5956 8.7894 8.7894 9.0181 9.0181 9.1609 9.1609 9.3133 9.3133 9.3606 9.3606 9.6806 9.6806 9.9066 9.9066 10.0102 10.0102 11.3043 11.3043 13.5420 13.5420 14.3956 14.3956 14.6130 14.6130 15.5767 15.5767 k = 0.3869 0.4846-0.0000 ( 2930 PWs) bands (ev): -50.1732 -50.1732 -24.5266 -24.5266 -16.8841 -16.8841 -16.8319 -16.8319 1.3245 1.3245 1.4002 1.4002 5.9896 5.9896 6.5772 6.5772 7.1089 7.1089 7.6712 7.6712 7.9003 7.9003 7.9509 7.9509 8.5912 8.5912 8.7941 8.7941 9.0264 9.0264 9.1575 9.1575 9.3099 9.3099 9.3688 9.3688 9.6603 9.6603 9.9081 9.9081 10.0169 10.0169 11.3225 11.3225 13.4826 13.4826 14.4216 14.4216 14.6671 14.6671 15.5553 15.5553 k = 0.3810 0.4949-0.0000 ( 2934 PWs) bands (ev): -50.1732 -50.1732 -24.5268 -24.5268 -16.8834 -16.8834 -16.8333 -16.8333 1.3320 1.3320 1.4110 1.4110 6.0382 6.0382 6.5646 6.5646 7.0319 7.0319 7.6701 7.6701 7.9015 7.9015 7.9470 7.9470 8.5871 8.5871 8.7984 8.7984 9.0347 9.0347 9.1542 9.1542 9.3054 9.3054 9.3788 9.3788 9.6398 9.6398 9.9106 9.9106 10.0242 10.0242 11.3375 11.3375 13.4251 13.4251 14.4445 14.4445 14.7249 14.7249 15.5342 15.5342 k = 0.3750 0.5052-0.0000 ( 2930 PWs) bands (ev): -50.1732 -50.1732 -24.5269 -24.5269 -16.8828 -16.8828 -16.8346 -16.8346 1.3392 1.3392 1.4211 1.4211 6.0884 6.0884 6.5530 6.5530 6.9547 6.9547 7.6694 7.6694 7.9028 7.9028 7.9444 7.9444 8.5834 8.5834 8.8024 8.8024 9.0429 9.0429 9.1510 9.1510 9.3006 9.3006 9.3901 9.3901 9.6195 9.6195 9.9136 9.9136 10.0315 10.0315 11.3498 11.3498 13.3712 13.3712 14.4682 14.4682 14.7797 14.7797 15.5141 15.5141 k = 0.3690 0.5155-0.0000 ( 2926 PWs) bands (ev): -50.1732 -50.1732 -24.5270 -24.5270 -16.8823 -16.8823 -16.8357 -16.8357 1.3461 1.3461 1.4301 1.4301 6.1399 6.1399 6.5426 6.5426 6.8784 6.8784 7.6689 7.6689 7.9041 7.9041 7.9426 7.9426 8.5800 8.5800 8.8059 8.8059 9.0508 9.0508 9.1477 9.1477 9.2960 9.2960 9.4023 9.4023 9.5995 9.5995 9.9170 9.9170 10.0384 10.0384 11.3593 11.3593 13.3219 13.3219 14.4949 14.4949 14.8268 14.8268 15.4959 15.4959 k = 0.3631 0.5258-0.0000 ( 2918 PWs) bands (ev): -50.1731 -50.1731 -24.5270 -24.5270 -16.8818 -16.8818 -16.8367 -16.8367 1.3524 1.3524 1.4380 1.4380 6.1924 6.1924 6.5333 6.5333 6.8040 6.8040 7.6686 7.6686 7.9054 7.9054 7.9415 7.9415 8.5771 8.5771 8.8090 8.8090 9.0585 9.0585 9.1444 9.1444 9.2918 9.2918 9.4151 9.4151 9.5802 9.5802 9.9203 9.9203 10.0446 10.0446 11.3664 11.3664 13.2784 13.2784 14.5248 14.5248 14.8623 14.8623 15.4808 15.4808 k = 0.3571 0.5361-0.0000 ( 2920 PWs) bands (ev): -50.1731 -50.1731 -24.5271 -24.5271 -16.8814 -16.8814 -16.8376 -16.8376 1.3582 1.3582 1.4444 1.4444 6.2457 6.2457 6.5253 6.5253 6.7323 6.7323 7.6684 7.6684 7.9066 7.9066 7.9408 7.9408 8.5746 8.5746 8.8115 8.8115 9.0656 9.0656 9.1410 9.1410 9.2880 9.2880 9.4284 9.4284 9.5616 9.5616 9.9233 9.9233 10.0498 10.0498 11.3714 11.3714 13.2415 13.2415 14.5579 14.5579 14.8835 14.8835 15.4699 15.4699 k = 0.3512 0.5464-0.0000 ( 2926 PWs) bands (ev): -50.1731 -50.1731 -24.5272 -24.5272 -16.8812 -16.8812 -16.8382 -16.8382 1.3633 1.3633 1.4493 1.4493 6.2993 6.2993 6.5185 6.5185 6.6645 6.6645 7.6682 7.6682 7.9076 7.9076 7.9403 7.9403 8.5726 8.5726 8.8135 8.8135 9.0720 9.0720 9.1377 9.1377 9.2848 9.2848 9.4419 9.4419 9.5439 9.5439 9.9259 9.9259 10.0537 10.0537 11.3747 11.3747 13.2120 13.2120 14.5930 14.5930 14.8893 14.8893 15.4636 15.4636 k = 0.3452 0.5567-0.0000 ( 2934 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8810 -16.8810 -16.8388 -16.8388 1.3674 1.3674 1.4526 1.4526 6.3522 6.3522 6.5119 6.5119 6.6027 6.6027 7.6681 7.6681 7.9084 7.9084 7.9400 7.9400 8.5711 8.5711 8.8149 8.8149 9.0773 9.0773 9.1347 9.1347 9.2825 9.2825 9.4552 9.4552 9.5275 9.5275 9.9279 9.9279 10.0563 10.0563 11.3766 11.3766 13.1905 13.1905 14.6277 14.6277 14.8818 14.8818 15.4609 15.4609 k = 0.3393 0.5670-0.0000 ( 2934 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8809 -16.8809 -16.8391 -16.8391 1.3703 1.3703 1.4545 1.4545 6.4019 6.4019 6.5015 6.5015 6.5541 6.5541 7.6681 7.6681 7.9090 7.9090 7.9399 7.9399 8.5702 8.5702 8.8158 8.8158 9.0810 9.0810 9.1325 9.1325 9.2812 9.2812 9.4671 9.4671 9.5138 9.5138 9.9293 9.9293 10.0577 10.0577 11.3775 11.3775 13.1774 13.1774 14.6567 14.6567 14.8675 14.8675 15.4602 15.4602 k = 0.3333 0.5774-0.0000 ( 2946 PWs) bands (ev): -50.1731 -50.1731 -24.5275 -24.5275 -16.8810 -16.8810 -16.8392 -16.8392 1.3713 1.3713 1.4550 1.4550 6.4311 6.4311 6.4865 6.4865 6.5367 6.5367 7.6680 7.6680 7.9091 7.9091 7.9398 7.9398 8.5699 8.5699 8.8160 8.8160 9.0823 9.0823 9.1317 9.1317 9.2806 9.2806 9.4729 9.4729 9.5073 9.5073 9.9297 9.9297 10.0580 10.0580 11.3777 11.3777 13.1730 13.1730 14.6694 14.6694 14.8592 14.8592 15.4601 15.4601 k = 0.3333 0.5774-0.0000 ( 2946 PWs) bands (ev): -50.1731 -50.1731 -24.5275 -24.5275 -16.8810 -16.8810 -16.8392 -16.8392 1.3713 1.3713 1.4550 1.4550 6.4311 6.4311 6.4865 6.4865 6.5367 6.5367 7.6680 7.6680 7.9091 7.9091 7.9398 7.9398 8.5699 8.5699 8.8160 8.8160 9.0823 9.0823 9.1317 9.1317 9.2806 9.2806 9.4729 9.4729 9.5073 9.5073 9.9297 9.9297 10.0580 10.0580 11.3777 11.3777 13.1730 13.1730 14.6694 14.6694 14.8592 14.8592 15.4601 15.4601 k = 0.3274 0.5670-0.0000 ( 2938 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8810 -16.8810 -16.8391 -16.8391 1.3700 1.3700 1.4546 1.4546 6.4043 6.4043 6.5003 6.5003 6.5529 6.5529 7.6680 7.6680 7.9089 7.9089 7.9399 7.9399 8.5702 8.5702 8.8157 8.8157 9.0809 9.0809 9.1326 9.1326 9.2811 9.2811 9.4672 9.4672 9.5136 9.5136 9.9292 9.9292 10.0578 10.0578 11.3776 11.3776 13.1774 13.1774 14.6548 14.6548 14.8700 14.8700 15.4603 15.4603 k = 0.3214 0.5567-0.0000 ( 2930 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8809 -16.8809 -16.8388 -16.8388 1.3655 1.3655 1.4539 1.4539 6.3629 6.3629 6.5098 6.5098 6.5941 6.5941 7.6681 7.6681 7.9083 7.9083 7.9400 7.9400 8.5712 8.5712 8.8148 8.8148 9.0769 9.0769 9.1351 9.1351 9.2825 9.2825 9.4561 9.4561 9.5266 9.5266 9.9276 9.9276 10.0576 10.0576 11.3774 11.3774 13.1902 13.1902 14.6163 14.6163 14.8980 14.8980 15.4611 15.4611 k = 0.3155 0.5464-0.0000 ( 2928 PWs) bands (ev): -50.1731 -50.1731 -24.5272 -24.5272 -16.8810 -16.8810 -16.8384 -16.8384 1.3572 1.3572 1.4534 1.4534 6.3239 6.3239 6.5158 6.5158 6.6427 6.6427 7.6682 7.6682 7.9071 7.9071 7.9402 7.9402 8.5727 8.5727 8.8132 8.8132 9.0707 9.0707 9.1387 9.1387 9.2847 9.2847 9.4440 9.4440 9.5417 9.5417 9.9249 9.9249 10.0580 10.0580 11.3774 11.3774 13.2111 13.2111 14.5647 14.5647 14.9331 14.9331 15.4627 15.4627 k = 0.3095 0.5361-0.0000 ( 2924 PWs) bands (ev): -50.1731 -50.1731 -24.5271 -24.5271 -16.8811 -16.8811 -16.8378 -16.8378 1.3445 1.3445 1.4535 1.4535 6.2895 6.2895 6.5223 6.5223 6.6918 6.6918 7.6684 7.6684 7.9055 7.9055 7.9405 7.9405 8.5749 8.5749 8.8110 8.8110 9.0629 9.0629 9.1430 9.1430 9.2875 9.2875 9.4322 9.4322 9.5578 9.5578 9.9212 9.9212 10.0598 10.0598 11.3780 11.3780 13.2391 13.2391 14.5074 14.5074 14.9682 14.9682 15.4647 15.4647 k = 0.3036 0.5258-0.0000 ( 2928 PWs) bands (ev): -50.1732 -50.1732 -24.5270 -24.5270 -16.8811 -16.8811 -16.8371 -16.8371 1.3272 1.3272 1.4543 1.4543 6.2607 6.2607 6.5302 6.5302 6.7394 6.7394 7.6687 7.6687 7.9034 7.9034 7.9408 7.9408 8.5776 8.5776 8.8080 8.8080 9.0539 9.0539 9.1476 9.1476 9.2909 9.2909 9.4211 9.4211 9.5743 9.5743 9.9167 9.9167 10.0633 10.0633 11.3791 11.3791 13.2732 13.2732 14.4488 14.4488 14.9993 14.9993 15.4651 15.4651 k = 0.2976 0.5155-0.0000 ( 2932 PWs) bands (ev): -50.1732 -50.1732 -24.5269 -24.5269 -16.8812 -16.8812 -16.8364 -16.8364 1.3054 1.3054 1.4556 1.4556 6.2378 6.2378 6.5395 6.5395 6.7845 6.7845 7.6693 7.6693 7.9008 7.9008 7.9413 7.9413 8.5809 8.5809 8.8042 8.8042 9.0441 9.0441 9.1525 9.1525 9.2947 9.2947 9.4109 9.4109 9.5912 9.5912 9.9118 9.9118 10.0692 10.0692 11.3811 11.3811 13.3117 13.3117 14.3921 14.3921 15.0242 15.0242 15.4616 15.4616 k = 0.2917 0.5052-0.0000 ( 2926 PWs) bands (ev): -50.1732 -50.1732 -24.5267 -24.5267 -16.8810 -16.8810 -16.8355 -16.8355 1.2793 1.2793 1.4573 1.4573 6.2208 6.2208 6.5505 6.5505 6.8261 6.8261 7.6703 7.6703 7.8979 7.8979 7.9420 7.9420 8.5848 8.5848 8.7997 8.7997 9.0336 9.0336 9.1577 9.1577 9.2989 9.2989 9.4018 9.4018 9.6086 9.6086 9.9073 9.9073 10.0777 10.0777 11.3841 11.3841 13.3523 13.3523 14.3401 14.3401 15.0420 15.0420 15.4525 15.4525 k = 0.2857 0.4949-0.0000 ( 2930 PWs) bands (ev): -50.1732 -50.1732 -24.5265 -24.5265 -16.8809 -16.8809 -16.8346 -16.8346 1.2490 1.2490 1.4592 1.4592 6.2099 6.2099 6.5630 6.5630 6.8633 6.8633 7.6718 7.6718 7.8946 7.8946 7.9429 7.9429 8.5891 8.5891 8.7945 8.7945 9.0226 9.0226 9.1632 9.1632 9.3030 9.3030 9.3939 9.3939 9.6263 9.6263 9.9037 9.9037 10.0889 10.0889 11.3882 11.3882 13.3923 13.3923 14.2959 14.2959 15.0531 15.0531 15.4380 15.4380 k = 0.2798 0.4846-0.0000 ( 2926 PWs) bands (ev): -50.1733 -50.1733 -24.5262 -24.5262 -16.8805 -16.8805 -16.8336 -16.8336 1.2149 1.2149 1.4611 1.4611 6.2050 6.2050 6.5771 6.5771 6.8954 6.8954 7.6741 7.6741 7.8913 7.8913 7.9440 7.9440 8.5938 8.5938 8.7887 8.7887 9.0111 9.0111 9.1693 9.1693 9.3072 9.3072 9.3873 9.3873 9.6444 9.6444 9.9016 9.9016 10.1031 10.1031 11.3936 11.3936 13.4278 13.4278 14.2632 14.2632 15.0583 15.0583 15.4189 15.4189 k = 0.2738 0.4743-0.0000 ( 2926 PWs) bands (ev): -50.1733 -50.1733 -24.5260 -24.5260 -16.8801 -16.8801 -16.8325 -16.8325 1.1771 1.1771 1.4630 1.4630 6.2059 6.2059 6.5926 6.5926 6.9215 6.9215 7.6773 7.6773 7.8879 7.8879 7.9455 7.9455 8.5987 8.5987 8.7823 8.7823 8.9994 8.9994 9.1761 9.1761 9.3111 9.3111 9.3821 9.3821 9.6629 9.6629 9.9015 9.9015 10.1202 10.1202 11.4004 11.4004 13.4549 13.4549 14.2455 14.2455 15.0587 15.0587 15.3961 15.3961 k = 0.2679 0.4639-0.0000 ( 2926 PWs) bands (ev): -50.1734 -50.1734 -24.5257 -24.5257 -16.8796 -16.8796 -16.8315 -16.8315 1.1359 1.1359 1.4648 1.4648 6.2126 6.2126 6.6096 6.6096 6.9410 6.9410 7.6815 7.6815 7.8849 7.8849 7.9472 7.9472 8.6036 8.6036 8.7757 8.7757 8.9874 8.9874 9.1837 9.1837 9.3145 9.3145 9.3786 9.3786 9.6818 9.6818 9.9039 9.9039 10.1404 10.1404 11.4086 11.4086 13.4698 13.4698 14.2459 14.2459 15.0556 15.0556 15.3704 15.3704 k = 0.2619 0.4536-0.0000 ( 2926 PWs) bands (ev): -50.1734 -50.1734 -24.5253 -24.5253 -16.8789 -16.8789 -16.8304 -16.8304 1.0915 1.0915 1.4663 1.4663 6.2248 6.2248 6.6278 6.6278 6.9531 6.9531 7.6868 7.6868 7.8824 7.8824 7.9493 7.9493 8.6083 8.6083 8.7693 8.7693 8.9752 8.9752 9.1924 9.1924 9.3174 9.3174 9.3768 9.3768 9.7012 9.7012 9.9091 9.9091 10.1638 10.1638 11.4183 11.4183 13.4708 13.4708 14.2652 14.2652 15.0498 15.0498 15.3426 15.3426 k = 0.2560 0.4433-0.0000 ( 2926 PWs) bands (ev): -50.1735 -50.1735 -24.5250 -24.5250 -16.8780 -16.8780 -16.8292 -16.8292 1.0442 1.0442 1.4676 1.4676 6.2423 6.2423 6.6472 6.6472 6.9576 6.9576 7.6931 7.6931 7.8808 7.8808 7.9518 7.9518 8.6125 8.6125 8.7635 8.7635 8.9629 8.9629 9.2022 9.2022 9.3198 9.3198 9.3767 9.3767 9.7212 9.7212 9.9174 9.9174 10.1902 10.1902 11.4298 11.4298 13.4586 13.4586 14.3015 14.3015 15.0420 15.0420 15.3132 15.3132 k = 0.2500 0.4330-0.0000 ( 2922 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8771 -16.8771 -16.8280 -16.8280 0.9942 0.9942 1.4686 1.4686 6.2647 6.2647 6.6677 6.6677 6.9542 6.9542 7.7003 7.7003 7.8803 7.8803 7.9546 7.9546 8.6157 8.6157 8.7589 8.7589 8.9505 8.9505 9.2129 9.2129 9.3219 9.3219 9.3783 9.3783 9.7418 9.7418 9.9289 9.9289 10.2198 10.2198 11.4430 11.4430 13.4358 13.4358 14.3504 14.3504 15.0330 15.0330 15.2826 15.2826 k = 0.2440 0.4227-0.0000 ( 2930 PWs) bands (ev): -50.1736 -50.1736 -24.5242 -24.5242 -16.8760 -16.8760 -16.8269 -16.8269 0.9418 0.9418 1.4693 1.4693 6.2918 6.2918 6.6892 6.6892 6.9432 6.9432 7.7082 7.7082 7.8811 7.8811 7.9576 7.9576 8.6176 8.6176 8.7558 8.7558 8.9380 8.9380 9.2244 9.2244 9.3237 9.3237 9.3814 9.3814 9.7630 9.7630 9.9437 9.9437 10.2524 10.2524 11.4580 11.4580 13.4057 13.4057 14.4068 14.4068 15.0231 15.0231 15.2514 15.2514 k = 0.2381 0.4124-0.0000 ( 2926 PWs) bands (ev): -50.1737 -50.1737 -24.5237 -24.5237 -16.8747 -16.8747 -16.8257 -16.8257 0.8873 0.8873 1.4698 1.4698 6.3232 6.3232 6.7114 6.7114 6.9250 6.9250 7.7163 7.7163 7.8834 7.8834 7.9610 7.9610 8.6178 8.6178 8.7550 8.7550 8.9258 8.9258 9.2366 9.2366 9.3260 9.3260 9.3858 9.3858 9.7851 9.7851 9.9618 9.9618 10.2879 10.2879 11.4749 11.4749 13.3714 13.3714 14.4649 14.4649 15.0126 15.0126 15.2203 15.2203 k = 0.2321 0.4021-0.0000 ( 2926 PWs) bands (ev): -50.1737 -50.1737 -24.5232 -24.5232 -16.8733 -16.8733 -16.8245 -16.8245 0.8309 0.8309 1.4699 1.4699 6.3586 6.3586 6.7340 6.7340 6.9003 6.9003 7.7246 7.7246 7.8869 7.8869 7.9646 7.9646 8.6164 8.6164 8.7563 8.7563 8.9139 8.9139 9.2490 9.2490 9.3287 9.3287 9.3915 9.3915 9.8080 9.8080 9.9831 9.9831 10.3263 10.3263 11.4939 11.4939 13.3351 13.3351 14.5195 14.5195 15.0012 15.0012 15.1896 15.1896 k = 0.2262 0.3918-0.0000 ( 2926 PWs) bands (ev): -50.1738 -50.1738 -24.5227 -24.5227 -16.8717 -16.8717 -16.8234 -16.8234 0.7730 0.7730 1.4697 1.4697 6.3975 6.3975 6.7561 6.7561 6.8707 6.8707 7.7329 7.7329 7.8917 7.8917 7.9684 7.9684 8.6133 8.6133 8.7596 8.7596 8.9027 8.9027 9.2615 9.2615 9.3321 9.3321 9.3982 9.3982 9.8319 9.8319 10.0076 10.0076 10.3674 10.3674 11.5151 11.5151 13.2987 13.2987 14.5662 14.5662 14.9882 14.9882 15.1601 15.1601 k = 0.2202 0.3815-0.0000 ( 2918 PWs) bands (ev): -50.1739 -50.1739 -24.5220 -24.5220 -16.8699 -16.8699 -16.8222 -16.8222 0.7137 0.7137 1.4692 1.4692 6.4394 6.4394 6.7739 6.7739 6.8407 6.8407 7.7411 7.7411 7.8973 7.8973 7.9724 7.9724 8.6091 8.6091 8.7641 8.7641 8.8928 8.8928 9.2735 9.2735 9.3365 9.3365 9.4061 9.4061 9.8568 9.8568 10.0351 10.0351 10.4111 10.4111 11.5387 11.5387 13.2635 13.2635 14.6016 14.6016 14.9722 14.9722 15.1317 15.1317 k = 0.2143 0.3712-0.0000 ( 2920 PWs) bands (ev): -50.1740 -50.1740 -24.5215 -24.5215 -16.8680 -16.8680 -16.8210 -16.8210 0.6533 0.6533 1.4684 1.4684 6.4836 6.4836 6.7683 6.7683 6.8304 6.8304 7.7492 7.7492 7.9034 7.9034 7.9766 7.9766 8.6041 8.6041 8.7687 8.7687 8.8848 8.8848 9.2846 9.2846 9.3418 9.3418 9.4149 9.4149 9.8829 9.8829 10.0653 10.0653 10.4571 10.4571 11.5646 11.5646 13.2306 13.2306 14.6247 14.6247 14.9517 14.9517 15.1038 15.1038 k = 0.2083 0.3608-0.0000 ( 2918 PWs) bands (ev): -50.1741 -50.1741 -24.5209 -24.5209 -16.8660 -16.8660 -16.8198 -16.8198 0.5922 0.5922 1.4673 1.4673 6.5289 6.5289 6.7335 6.7335 6.8472 6.8472 7.7573 7.7573 7.9094 7.9094 7.9809 7.9809 8.5988 8.5988 8.7721 8.7721 8.8801 8.8801 9.2949 9.2949 9.3484 9.3484 9.4248 9.4248 9.9102 9.9102 10.0980 10.0980 10.5053 10.5053 11.5932 11.5932 13.2005 13.2005 14.6358 14.6358 14.9259 14.9259 15.0748 15.0748 k = 0.2024 0.3505-0.0000 ( 2922 PWs) bands (ev): -50.1742 -50.1742 -24.5203 -24.5203 -16.8640 -16.8640 -16.8186 -16.8186 0.5305 0.5305 1.4659 1.4659 6.5710 6.5710 6.6938 6.6938 6.8712 6.8712 7.7656 7.7656 7.9151 7.9151 7.9855 7.9855 8.5934 8.5934 8.7727 8.7727 8.8796 8.8796 9.3041 9.3041 9.3561 9.3561 9.4356 9.4356 9.9387 9.9387 10.1330 10.1330 10.5554 10.5554 11.6245 11.6245 13.1738 13.1738 14.6370 14.6370 14.8949 14.8949 15.0431 15.0431 k = 0.1964 0.3402-0.0000 ( 2922 PWs) bands (ev): -50.1743 -50.1743 -24.5196 -24.5196 -16.8618 -16.8618 -16.8173 -16.8173 0.4685 0.4685 1.4642 1.4642 6.5876 6.5876 6.6769 6.6769 6.8972 6.8972 7.7741 7.7741 7.9199 7.9199 7.9904 7.9904 8.5882 8.5882 8.7699 8.7699 8.8841 8.8841 9.3123 9.3123 9.3650 9.3650 9.4471 9.4471 9.9684 9.9684 10.1700 10.1700 10.6074 10.6074 11.6586 11.6586 13.1509 13.1509 14.6305 14.6305 14.8593 14.8593 15.0082 15.0082 k = 0.1905 0.3299-0.0000 ( 2918 PWs) bands (ev): -50.1744 -50.1744 -24.5189 -24.5189 -16.8595 -16.8595 -16.8161 -16.8161 0.4063 0.4063 1.4623 1.4623 6.5539 6.5539 6.7090 6.7090 6.9240 6.9240 7.7829 7.7829 7.9236 7.9236 7.9957 7.9957 8.5834 8.5834 8.7638 8.7638 8.8930 8.8930 9.3199 9.3199 9.3749 9.3749 9.4594 9.4594 9.9994 9.9994 10.2088 10.2088 10.6608 10.6608 11.6958 11.6958 13.1319 13.1319 14.6182 14.6182 14.8194 14.8194 14.9707 14.9707 k = 0.1845 0.3196-0.0000 ( 2920 PWs) bands (ev): -50.1745 -50.1745 -24.5183 -24.5183 -16.8572 -16.8572 -16.8148 -16.8148 0.3443 0.3443 1.4601 1.4601 6.5020 6.5020 6.7583 6.7583 6.9515 6.9515 7.7919 7.7919 7.9258 7.9258 8.0015 8.0015 8.5789 8.5789 8.7553 8.7553 8.9056 8.9056 9.3268 9.3268 9.3856 9.3856 9.4722 9.4722 10.0312 10.0312 10.2492 10.2492 10.7157 10.7157 11.7360 11.7360 13.1170 13.1170 14.6017 14.6017 14.7755 14.7755 14.9321 14.9321 k = 0.1786 0.3093-0.0000 ( 2920 PWs) bands (ev): -50.1746 -50.1746 -24.5176 -24.5176 -16.8548 -16.8548 -16.8135 -16.8135 0.2826 0.2826 1.4576 1.4576 6.4453 6.4453 6.8117 6.8117 6.9793 6.9793 7.8011 7.8011 7.9266 7.9266 8.0078 8.0078 8.5750 8.5750 8.7454 8.7454 8.9207 8.9207 9.3334 9.3334 9.3970 9.3970 9.4856 9.4856 10.0639 10.0639 10.2913 10.2913 10.7717 10.7717 11.7794 11.7794 13.1060 13.1060 14.5823 14.5823 14.7279 14.7279 14.8939 14.8939 k = 0.1726 0.2990-0.0000 ( 2914 PWs) bands (ev): -50.1747 -50.1747 -24.5168 -24.5168 -16.8524 -16.8524 -16.8121 -16.8121 0.2213 0.2213 1.4549 1.4549 6.3864 6.3864 6.8667 6.8667 7.0075 7.0075 7.8105 7.8105 7.9259 7.9259 8.0146 8.0146 8.5716 8.5716 8.7346 8.7346 8.9377 8.9377 9.3397 9.3397 9.4089 9.4089 9.4996 9.4996 10.0970 10.0970 10.3351 10.3351 10.8286 10.8286 11.8260 11.8260 13.0988 13.0988 14.5605 14.5605 14.6776 14.6776 14.8574 14.8574 k = 0.1667 0.2887-0.0000 ( 2914 PWs) bands (ev): -50.1748 -50.1748 -24.5161 -24.5161 -16.8501 -16.8501 -16.8106 -16.8106 0.1608 0.1608 1.4521 1.4521 6.3266 6.3266 6.9222 6.9222 7.0360 7.0360 7.8199 7.8199 7.9236 7.9236 8.0219 8.0219 8.5687 8.5687 8.7234 8.7234 8.9561 8.9561 9.3459 9.3459 9.4211 9.4211 9.5143 9.5143 10.1300 10.1300 10.3810 10.3810 10.8865 10.8865 11.8758 11.8758 13.0949 13.0949 14.5358 14.5358 14.6263 14.6263 14.8234 14.8234 k = 0.1607 0.2784-0.0000 ( 2914 PWs) bands (ev): -50.1749 -50.1749 -24.5154 -24.5154 -16.8477 -16.8477 -16.8091 -16.8091 0.1010 0.1010 1.4490 1.4490 6.2663 6.2663 6.9777 6.9777 7.0647 7.0647 7.8292 7.8292 7.9201 7.9201 8.0295 8.0295 8.5661 8.5661 8.7121 8.7121 8.9754 8.9754 9.3521 9.3521 9.4335 9.4335 9.5298 9.5298 10.1623 10.1623 10.4293 10.4293 10.9450 10.9450 11.9286 11.9286 13.0939 13.0939 14.5060 14.5060 14.5776 14.5776 14.7928 14.7928 k = 0.1548 0.2681-0.0000 ( 2906 PWs) bands (ev): -50.1750 -50.1750 -24.5146 -24.5146 -16.8454 -16.8454 -16.8074 -16.8074 0.0423 0.0423 1.4457 1.4457 6.2060 6.2060 7.0328 7.0328 7.0936 7.0936 7.8383 7.8383 7.9155 7.9155 8.0376 8.0376 8.5640 8.5640 8.7009 8.7009 8.9956 8.9956 9.3583 9.3583 9.4459 9.4459 9.5465 9.5465 10.1933 10.1933 10.4806 10.4806 11.0043 11.0043 11.9843 11.9843 13.0950 13.0950 14.4665 14.4665 14.5368 14.5368 14.7663 14.7663 k = 0.1488 0.2577-0.0000 ( 2900 PWs) bands (ev): -50.1751 -50.1751 -24.5138 -24.5138 -16.8432 -16.8432 -16.8056 -16.8056 -0.0153 -0.0153 1.4423 1.4423 6.1462 6.1462 7.0868 7.0868 7.1230 7.1230 7.8469 7.8469 7.9101 7.9101 8.0459 8.0459 8.5621 8.5621 8.6900 8.6900 9.0164 9.0164 9.3646 9.3646 9.4579 9.4579 9.5646 9.5646 10.2224 10.2224 10.5354 10.5354 11.0641 11.0641 12.0425 12.0425 13.0975 13.0975 14.4169 14.4169 14.5048 14.5048 14.7450 14.7450 k = 0.1429 0.2474-0.0000 ( 2900 PWs) bands (ev): -50.1753 -50.1753 -24.5131 -24.5131 -16.8411 -16.8411 -16.8038 -16.8038 -0.0717 -0.0717 1.4388 1.4388 6.0869 6.0869 7.1384 7.1384 7.1538 7.1538 7.8546 7.8546 7.9041 7.9041 8.0545 8.0545 8.5603 8.5603 8.6794 8.6794 9.0375 9.0375 9.3709 9.3709 9.4692 9.4692 9.5843 9.5843 10.2490 10.2490 10.5942 10.5942 11.1246 11.1246 12.1029 12.1029 13.1006 13.1006 14.3619 14.3619 14.4767 14.4767 14.7305 14.7305 k = 0.1369 0.2371-0.0000 ( 2898 PWs) bands (ev): -50.1754 -50.1754 -24.5123 -24.5123 -16.8392 -16.8392 -16.8018 -16.8018 -0.1266 -0.1266 1.4352 1.4352 6.0287 6.0287 7.1777 7.1777 7.1956 7.1956 7.8610 7.8610 7.8983 7.8983 8.0632 8.0632 8.5587 8.5587 8.6693 8.6693 9.0591 9.0591 9.3773 9.3773 9.4798 9.4798 9.6059 9.6059 10.2729 10.2729 10.6575 10.6575 11.1858 11.1858 12.1648 12.1648 13.1033 13.1033 14.3050 14.3050 14.4484 14.4484 14.7241 14.7241 k = 0.1310 0.2268-0.0000 ( 2910 PWs) bands (ev): -50.1755 -50.1755 -24.5117 -24.5117 -16.8375 -16.8375 -16.7998 -16.7998 -0.1800 -0.1800 1.4315 1.4315 5.9716 5.9716 7.2080 7.2080 7.2448 7.2448 7.8649 7.8649 7.8939 7.8939 8.0722 8.0722 8.5571 8.5571 8.6597 8.6597 9.0807 9.0807 9.3836 9.3836 9.4893 9.4893 9.6295 9.6295 10.2939 10.2939 10.7254 10.7254 11.2478 11.2478 12.2276 12.2276 13.1049 13.1049 14.2480 14.2480 14.4177 14.4177 14.7271 14.7271 k = 0.1250 0.2165-0.0000 ( 2902 PWs) bands (ev): -50.1756 -50.1756 -24.5110 -24.5110 -16.8357 -16.8357 -16.7975 -16.7975 -0.2318 -0.2318 1.4277 1.4277 5.9159 5.9159 7.2373 7.2373 7.2931 7.2931 7.8646 7.8646 7.8926 7.8926 8.0813 8.0813 8.5555 8.5555 8.6507 8.6507 9.1026 9.1026 9.3900 9.3900 9.4980 9.4980 9.6553 9.6553 10.3120 10.3120 10.7980 10.7980 11.3106 11.3106 12.2905 12.2905 13.1047 13.1047 14.1915 14.1915 14.3837 14.3837 14.7402 14.7402 k = 0.1190 0.2062-0.0000 ( 2902 PWs) bands (ev): -50.1757 -50.1757 -24.5103 -24.5103 -16.8342 -16.8342 -16.7953 -16.7953 -0.2818 -0.2818 1.4239 1.4239 5.8617 5.8617 7.2663 7.2663 7.3395 7.3395 7.8601 7.8601 7.8944 7.8944 8.0904 8.0904 8.5537 8.5537 8.6423 8.6423 9.1246 9.1246 9.3964 9.3964 9.5055 9.5055 9.6833 9.6833 10.3273 10.3273 10.8754 10.8754 11.3743 11.3743 12.3523 12.3523 13.1021 13.1021 14.1359 14.1359 14.3459 14.3459 14.7633 14.7633 k = 0.1131 0.1959-0.0000 ( 2906 PWs) bands (ev): -50.1758 -50.1758 -24.5096 -24.5096 -16.8329 -16.8329 -16.7929 -16.7929 -0.3299 -0.3299 1.4200 1.4200 5.8093 5.8093 7.2950 7.2950 7.3838 7.3838 7.8535 7.8535 7.8976 7.8976 8.0996 8.0996 8.5519 8.5519 8.6345 8.6345 9.1465 9.1465 9.4028 9.4028 9.5121 9.5121 9.7133 9.7133 10.3400 10.3400 10.9574 10.9574 11.4391 11.4391 12.4119 12.4119 13.0968 13.0968 14.0816 14.0816 14.3042 14.3042 14.7958 14.7958 k = 0.1071 0.1856-0.0000 ( 2898 PWs) bands (ev): -50.1759 -50.1759 -24.5089 -24.5089 -16.8317 -16.8317 -16.7904 -16.7904 -0.3762 -0.3762 1.4162 1.4162 5.7588 5.7588 7.3233 7.3233 7.4256 7.4256 7.8462 7.8462 7.9010 7.9010 8.1088 8.1088 8.5498 8.5498 8.6274 8.6274 9.1684 9.1684 9.4091 9.4091 9.5178 9.5178 9.7454 9.7454 10.3504 10.3504 11.0439 11.0439 11.5051 11.5051 12.4677 12.4677 13.0887 13.0887 14.0287 14.0287 14.2587 14.2587 14.8360 14.8360 k = 0.1012 0.1753-0.0000 ( 2898 PWs) bands (ev): -50.1760 -50.1760 -24.5082 -24.5082 -16.8306 -16.8306 -16.7879 -16.7879 -0.4204 -0.4204 1.4125 1.4125 5.7104 5.7104 7.3512 7.3512 7.4648 7.4648 7.8389 7.8389 7.9039 7.9039 8.1179 8.1179 8.5476 8.5476 8.6210 8.6210 9.1901 9.1901 9.4154 9.4154 9.5226 9.5226 9.7794 9.7794 10.3587 10.3587 11.1347 11.1347 11.5724 11.5724 12.5181 12.5181 13.0779 13.0779 13.9770 13.9770 14.2095 14.2095 14.8802 14.8802 k = 0.0952 0.1650-0.0000 ( 2892 PWs) bands (ev): -50.1761 -50.1761 -24.5075 -24.5075 -16.8296 -16.8296 -16.7854 -16.7854 -0.4624 -0.4624 1.4087 1.4087 5.6641 5.6641 7.3786 7.3786 7.5010 7.5010 7.8321 7.8321 7.9063 7.9063 8.1269 8.1269 8.5452 8.5452 8.6152 8.6152 9.2117 9.2117 9.4215 9.4215 9.5265 9.5265 9.8153 9.8153 10.3652 10.3652 11.2294 11.2294 11.6410 11.6410 12.5615 12.5615 13.0647 13.0647 13.9265 13.9265 14.1569 14.1569 14.9123 14.9123 k = 0.0893 0.1546-0.0000 ( 2888 PWs) bands (ev): -50.1762 -50.1762 -24.5069 -24.5069 -16.8288 -16.8288 -16.7829 -16.7829 -0.5023 -0.5023 1.4051 1.4051 5.6201 5.6201 7.4053 7.4053 7.5342 7.5342 7.8261 7.8261 7.9079 7.9079 8.1358 8.1358 8.5426 8.5426 8.6100 8.6100 9.2329 9.2329 9.4275 9.4275 9.5296 9.5296 9.8528 9.8528 10.3702 10.3702 11.3279 11.3279 11.7110 11.7110 12.5960 12.5960 13.0495 13.0495 13.8771 13.8771 14.1009 14.1009 14.8951 14.8951 k = 0.0833 0.1443-0.0000 ( 2884 PWs) bands (ev): -50.1763 -50.1763 -24.5063 -24.5063 -16.8281 -16.8281 -16.7804 -16.7804 -0.5400 -0.5400 1.4016 1.4016 5.5784 5.5784 7.4313 7.4313 7.5640 7.5640 7.8213 7.8213 7.9088 7.9088 8.1444 8.1444 8.5399 8.5399 8.6054 8.6054 9.2539 9.2539 9.4333 9.4333 9.5319 9.5319 9.8917 9.8917 10.3741 10.3741 11.4297 11.4297 11.7824 11.7824 12.6202 12.6202 13.0326 13.0326 13.8287 13.8287 14.0420 14.0420 14.8577 14.8577 k = 0.0774 0.1340-0.0000 ( 2888 PWs) bands (ev): -50.1764 -50.1764 -24.5058 -24.5058 -16.8275 -16.8275 -16.7781 -16.7781 -0.5753 -0.5753 1.3982 1.3982 5.5393 5.5393 7.4562 7.4562 7.5902 7.5902 7.8180 7.8180 7.9090 7.9090 8.1527 8.1527 8.5370 8.5370 8.6013 8.6013 9.2743 9.2743 9.4388 9.4388 9.5333 9.5333 9.9318 9.9318 10.3769 10.3769 11.5345 11.5345 11.8551 11.8551 12.6328 12.6328 13.0146 13.0146 13.7809 13.7809 13.9803 13.9803 14.8303 14.8303 k = 0.0714 0.1237-0.0000 ( 2888 PWs) bands (ev): -50.1765 -50.1765 -24.5053 -24.5053 -16.8269 -16.8269 -16.7758 -16.7758 -0.6083 -0.6083 1.3949 1.3949 5.5027 5.5027 7.4801 7.4801 7.6126 7.6126 7.8166 7.8166 7.9087 7.9087 8.1608 8.1608 8.5340 8.5340 8.5977 8.5977 9.2944 9.2944 9.4440 9.4440 9.5340 9.5340 9.9729 9.9729 10.3790 10.3790 11.6418 11.6418 11.9291 11.9291 12.6337 12.6337 12.9960 12.9960 13.7333 13.7333 13.9163 13.9163 14.8188 14.8188 k = 0.0655 0.1134-0.0000 ( 2892 PWs) bands (ev): -50.1765 -50.1765 -24.5048 -24.5048 -16.8265 -16.8265 -16.7736 -16.7736 -0.6388 -0.6388 1.3919 1.3919 5.4688 5.4688 7.5027 7.5027 7.6311 7.6311 7.8171 7.8171 7.9077 7.9077 8.1684 8.1684 8.5310 8.5310 8.5945 8.5945 9.3139 9.3139 9.4490 9.4490 9.5339 9.5339 10.0143 10.0143 10.3807 10.3807 11.7512 11.7512 12.0041 12.0041 12.6234 12.6234 12.9773 12.9773 13.6855 13.6855 13.8501 13.8501 14.8243 14.8243 k = 0.0595 0.1031-0.0000 ( 2892 PWs) bands (ev): -50.1766 -50.1766 -24.5044 -24.5044 -16.8260 -16.8260 -16.7715 -16.7715 -0.6668 -0.6668 1.3890 1.3890 5.4376 5.4376 7.5238 7.5238 7.6459 7.6459 7.8196 7.8196 7.9065 7.9065 8.1757 8.1757 8.5280 8.5280 8.5918 8.5918 9.3328 9.3328 9.4535 9.4535 9.5330 9.5330 10.0557 10.0557 10.3822 10.3822 11.8620 11.8620 12.0796 12.0796 12.6035 12.6035 12.9591 12.9591 13.6371 13.6371 13.7818 13.7818 14.8460 14.8460 k = 0.0536 0.0928-0.0000 ( 2890 PWs) bands (ev): -50.1767 -50.1767 -24.5039 -24.5039 -16.8257 -16.8257 -16.7696 -16.7696 -0.6923 -0.6923 1.3863 1.3863 5.4092 5.4092 7.5432 7.5432 7.6574 7.6574 7.8236 7.8236 7.9050 7.9050 8.1825 8.1825 8.5252 8.5252 8.5895 8.5895 9.3510 9.3510 9.4578 9.4578 9.5314 9.5314 10.0963 10.0963 10.3838 10.3838 11.9735 11.9735 12.1547 12.1547 12.5769 12.5769 12.9418 12.9418 13.5872 13.5872 13.7116 13.7116 14.8822 14.8822 k = 0.0476 0.0825-0.0000 ( 2890 PWs) bands (ev): -50.1767 -50.1767 -24.5036 -24.5036 -16.8254 -16.8254 -16.7679 -16.7679 -0.7152 -0.7152 1.3839 1.3839 5.3836 5.3836 7.5605 7.5605 7.6664 7.6664 7.8286 7.8286 7.9035 7.9035 8.1888 8.1888 8.5224 8.5224 8.5874 8.5874 9.3685 9.3685 9.4616 9.4616 9.5290 9.5290 10.1354 10.1354 10.3859 10.3859 12.0846 12.0846 12.2277 12.2277 12.5480 12.5480 12.9261 12.9261 13.5353 13.5353 13.6395 13.6395 14.9310 14.9310 k = 0.0417 0.0722-0.0000 ( 2885 PWs) bands (ev): -50.1768 -50.1768 -24.5032 -24.5032 -16.8251 -16.8251 -16.7663 -16.7663 -0.7355 -0.7355 1.3817 1.3817 5.3610 5.3610 7.5755 7.5755 7.6737 7.6737 7.8338 7.8338 7.9023 7.9023 8.1946 8.1946 8.5199 8.5199 8.5856 8.5856 9.3853 9.3853 9.4651 9.4651 9.5258 9.5258 10.1719 10.1719 10.3889 10.3889 12.1928 12.1928 12.2942 12.2942 12.5250 12.5250 12.9125 12.9125 13.4804 13.4804 13.5659 13.5659 14.9898 14.9898 k = 0.0357 0.0619-0.0000 ( 2899 PWs) bands (ev): -50.1768 -50.1768 -24.5030 -24.5030 -16.8250 -16.8250 -16.7650 -16.7650 -0.7532 -0.7532 1.3798 1.3798 5.3412 5.3412 7.5880 7.5880 7.6800 7.6800 7.8383 7.8383 7.9016 7.9016 8.1996 8.1996 8.5176 8.5176 8.5841 8.5841 9.4011 9.4011 9.4680 9.4680 9.5216 9.5216 10.2048 10.2048 10.3931 10.3931 12.2867 12.2867 12.3505 12.3505 12.5245 12.5245 12.9017 12.9017 13.4216 13.4216 13.4912 13.4912 15.0559 15.0559 k = 0.0298 0.0515-0.0000 ( 2887 PWs) bands (ev): -50.1769 -50.1769 -24.5027 -24.5027 -16.8247 -16.8247 -16.7637 -16.7637 -0.7682 -0.7682 1.3782 1.3782 5.3245 5.3245 7.5979 7.5979 7.6860 7.6860 7.8417 7.8417 7.9016 7.9016 8.2041 8.2041 8.5156 8.5156 8.5829 8.5829 9.4162 9.4162 9.4707 9.4707 9.5168 9.5168 10.2328 10.2328 10.3988 10.3988 12.3193 12.3193 12.4283 12.4283 12.5620 12.5620 12.8950 12.8950 13.3580 13.3580 13.4159 13.4159 15.1266 15.1266 k = 0.0238 0.0412-0.0000 ( 2883 PWs) bands (ev): -50.1769 -50.1769 -24.5024 -24.5024 -16.8246 -16.8246 -16.7626 -16.7626 -0.7805 -0.7805 1.3768 1.3768 5.3107 5.3107 7.6053 7.6053 7.6917 7.6917 7.8436 7.8436 7.9023 7.9023 8.2078 8.2078 8.5138 8.5138 8.5819 8.5819 9.4304 9.4304 9.4728 9.4728 9.5111 9.5111 10.2551 10.2551 10.4061 10.4061 12.3074 12.3074 12.5206 12.5206 12.6270 12.6270 12.8944 12.8944 13.2890 13.2890 13.3403 13.3403 15.1986 15.1986 k = 0.0179 0.0309-0.0000 ( 2879 PWs) bands (ev): -50.1769 -50.1769 -24.5022 -24.5022 -16.8244 -16.8244 -16.7618 -16.7618 -0.7900 -0.7900 1.3757 1.3757 5.3000 5.3000 7.6104 7.6104 7.6968 7.6968 7.8444 7.8444 7.9034 7.9034 8.2107 8.2107 8.5125 8.5125 8.5811 8.5811 9.4435 9.4435 9.4746 9.4746 9.5045 9.5045 10.2714 10.2714 10.4141 10.4141 12.2866 12.2866 12.6027 12.6027 12.7055 12.7055 12.9038 12.9038 13.2151 13.2151 13.2645 13.2645 15.2678 15.2678 k = 0.0119 0.0206-0.0000 ( 2875 PWs) bands (ev): -50.1769 -50.1769 -24.5021 -24.5021 -16.8243 -16.8243 -16.7612 -16.7612 -0.7969 -0.7969 1.3749 1.3749 5.2923 5.2923 7.6136 7.6136 7.7010 7.7010 7.8445 7.8445 7.9045 7.9045 8.2128 8.2128 8.5115 8.5115 8.5806 8.5806 9.4555 9.4555 9.4759 9.4759 9.4971 9.4971 10.2822 10.2822 10.4215 10.4215 12.2679 12.2679 12.6641 12.6641 12.7905 12.7905 12.9291 12.9291 13.1375 13.1375 13.1880 13.1880 15.3280 15.3280 k = 0.0060 0.0103-0.0000 ( 2875 PWs) bands (ev): -50.1770 -50.1770 -24.5020 -24.5020 -16.8243 -16.8243 -16.7609 -16.7609 -0.8010 -0.8010 1.3745 1.3745 5.2877 5.2877 7.6154 7.6154 7.7038 7.7038 7.8443 7.8443 7.9054 7.9054 8.2141 8.2141 8.5109 8.5109 8.5803 8.5803 9.4659 9.4659 9.4772 9.4772 9.4890 9.4890 10.2881 10.2881 10.4268 10.4268 12.2554 12.2554 12.6996 12.6996 12.8759 12.8759 12.9750 12.9750 13.0585 13.0585 13.1117 13.1117 15.3388 15.3388 k = 0.0000 0.0000 0.0000 ( 2875 PWs) bands (ev): -50.1770 -50.1770 -24.5020 -24.5020 -16.8243 -16.8243 -16.7608 -16.7608 -0.8024 -0.8024 1.3743 1.3743 5.2862 5.2862 7.6160 7.6160 7.7047 7.7047 7.8442 7.8442 7.9057 7.9057 8.2145 8.2145 8.5107 8.5107 8.5802 8.5802 9.4711 9.4711 9.4805 9.4805 9.4817 9.4817 10.2900 10.2900 10.4287 10.4287 12.2511 12.2511 12.7107 12.7107 12.9368 12.9368 13.0000 13.0000 13.0376 13.0376 13.0396 13.0396 15.3314 15.3314 k = 0.0000 0.0000 0.0000 ( 2875 PWs) bands (ev): -50.1770 -50.1770 -24.5020 -24.5020 -16.8243 -16.8243 -16.7608 -16.7608 -0.8024 -0.8024 1.3743 1.3743 5.2862 5.2862 7.6160 7.6160 7.7047 7.7047 7.8442 7.8442 7.9057 7.9057 8.2145 8.2145 8.5107 8.5107 8.5802 8.5802 9.4711 9.4711 9.4805 9.4805 9.4817 9.4817 10.2900 10.2900 10.4287 10.4287 12.2511 12.2511 12.7107 12.7107 12.9368 12.9368 13.0000 13.0000 13.0376 13.0376 13.0396 13.0396 15.3314 15.3314 k = 0.0000 0.0000 0.0119 ( 2875 PWs) bands (ev): -50.1770 -50.1770 -24.5020 -24.5020 -16.8243 -16.8243 -16.7608 -16.7608 -0.8012 -0.8012 1.3713 1.3713 5.2899 5.2899 7.6137 7.6137 7.7016 7.7016 7.8465 7.8465 7.9090 7.9090 8.2147 8.2147 8.5114 8.5114 8.5811 8.5811 9.4704 9.4704 9.4804 9.4804 9.4810 9.4810 10.2898 10.2898 10.4283 10.4283 12.2304 12.2304 12.7226 12.7226 12.9342 12.9342 12.9928 12.9928 13.0450 13.0450 13.0456 13.0456 15.3048 15.3048 k = 0.0000 0.0000 0.0237 ( 2875 PWs) bands (ev): -50.1770 -50.1770 -24.5020 -24.5020 -16.8243 -16.8243 -16.7608 -16.7608 -0.7977 -0.7977 1.3621 1.3621 5.3010 5.3010 7.6070 7.6070 7.6928 7.6928 7.8533 7.8533 7.9184 7.9184 8.2150 8.2150 8.5137 8.5137 8.5837 8.5837 9.4684 9.4684 9.4792 9.4792 9.4801 9.4801 10.2892 10.2892 10.4271 10.4271 12.1755 12.1755 12.7500 12.7500 12.9293 12.9293 12.9769 12.9769 13.0557 13.0557 13.0680 13.0680 15.2644 15.2644 k = 0.0000 0.0000 0.0356 ( 2875 PWs) bands (ev): -50.1770 -50.1770 -24.5020 -24.5020 -16.8243 -16.8243 -16.7608 -16.7608 -0.7918 -0.7918 1.3470 1.3470 5.3193 5.3193 7.5968 7.5968 7.6797 7.6797 7.8638 7.8638 7.9324 7.9324 8.2156 8.2156 8.5174 8.5174 8.5880 8.5880 9.4652 9.4652 9.4761 9.4761 9.4795 9.4795 10.2883 10.2883 10.4251 10.4251 12.0987 12.0987 12.7764 12.7764 12.9279 12.9279 12.9573 12.9573 13.0667 13.0667 13.1030 13.1030 15.2250 15.2250 k = 0.0000 0.0000 0.0474 ( 2869 PWs) bands (ev): -50.1769 -50.1769 -24.5019 -24.5019 -16.8242 -16.8242 -16.7608 -16.7608 -0.7836 -0.7836 1.3263 1.3263 5.3445 5.3445 7.5840 7.5840 7.6638 7.6638 7.8769 7.8769 7.9496 7.9496 8.2165 8.2165 8.5227 8.5227 8.5942 8.5942 9.4609 9.4609 9.4718 9.4718 9.4787 9.4787 10.2869 10.2869 10.4223 10.4223 12.0092 12.0092 12.7898 12.7898 12.9343 12.9343 12.9354 12.9354 13.0768 13.0768 13.1495 13.1495 15.1881 15.1881 k = 0.0000 0.0000 0.0593 ( 2905 PWs) bands (ev): -50.1770 -50.1770 -24.5022 -24.5022 -16.8245 -16.8245 -16.7609 -16.7609 -0.7731 -0.7731 1.3001 1.3001 5.3763 5.3763 7.5692 7.5692 7.6460 7.6460 7.8919 7.8919 7.9687 7.9687 8.2174 8.2174 8.5292 8.5292 8.6017 8.6017 9.4554 9.4554 9.4662 9.4662 9.4772 9.4772 10.2850 10.2850 10.4186 10.4186 11.9124 11.9124 12.7886 12.7886 12.9118 12.9118 12.9470 12.9470 13.0856 13.0856 13.2055 13.2055 15.1537 15.1537 k = 0.0000 0.0000 0.0712 ( 2905 PWs) bands (ev): -50.1770 -50.1770 -24.5022 -24.5022 -16.8245 -16.8245 -16.7609 -16.7609 -0.7604 -0.7604 1.2690 1.2690 5.4141 5.4141 7.5534 7.5534 7.6275 7.6275 7.9080 7.9080 7.9890 7.9890 8.2185 8.2185 8.5373 8.5373 8.6111 8.6111 9.4491 9.4491 9.4597 9.4597 9.4756 9.4756 10.2829 10.2829 10.4143 10.4143 11.8114 11.8114 12.7778 12.7778 12.8869 12.8869 12.9615 12.9615 13.0931 13.0931 13.2680 13.2680 15.1217 15.1217 k = 0.0000 0.0000 0.0830 ( 2905 PWs) bands (ev): -50.1770 -50.1770 -24.5022 -24.5022 -16.8246 -16.8246 -16.7609 -16.7609 -0.7454 -0.7454 1.2333 1.2333 5.4575 5.4575 7.5370 7.5370 7.6086 7.6086 7.9248 7.9248 8.0098 8.0098 8.2197 8.2197 8.5467 8.5467 8.6220 8.6220 9.4419 9.4419 9.4521 9.4521 9.4736 9.4736 10.2804 10.2804 10.4092 10.4092 11.7080 11.7080 12.7617 12.7617 12.8609 12.8609 12.9751 12.9751 13.0993 13.0993 13.3337 13.3337 15.0918 15.0918 k = 0.0000 0.0000 0.0949 ( 2905 PWs) bands (ev): -50.1770 -50.1770 -24.5022 -24.5022 -16.8246 -16.8246 -16.7609 -16.7609 -0.7282 -0.7282 1.1936 1.1936 5.5058 5.5058 7.5204 7.5204 7.5898 7.5898 7.9418 7.9418 8.0307 8.0307 8.2210 8.2210 8.5575 8.5575 8.6345 8.6345 9.4339 9.4339 9.4435 9.4435 9.4713 9.4713 10.2775 10.2775 10.4033 10.4033 11.6037 11.6037 12.7428 12.7428 12.8341 12.8341 12.9871 12.9871 13.1043 13.1043 13.4002 13.4002 15.0638 15.0638 k = 0.0000 0.0000 0.1067 ( 2906 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8246 -16.8246 -16.7609 -16.7609 -0.7089 -0.7089 1.1502 1.1502 5.5583 5.5583 7.5038 7.5038 7.5712 7.5712 7.9588 7.9588 8.0514 8.0514 8.2221 8.2221 8.5696 8.5696 8.6484 8.6484 9.4251 9.4251 9.4341 9.4341 9.4687 9.4687 10.2743 10.2743 10.3968 10.3968 11.4994 11.4994 12.7224 12.7224 12.8068 12.8068 12.9972 12.9972 13.1082 13.1082 13.4661 13.4661 15.0374 15.0374 k = 0.0000 0.0000 0.1186 ( 2906 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8247 -16.8247 -16.7609 -16.7609 -0.6875 -0.6875 1.1038 1.1038 5.6145 5.6145 7.4875 7.4875 7.5532 7.5532 7.9754 7.9754 8.0715 8.0715 8.2233 8.2233 8.5827 8.5827 8.6636 8.6636 9.4156 9.4156 9.4238 9.4238 9.4659 9.4659 10.2707 10.2707 10.3896 10.3896 11.3961 11.3961 12.7013 12.7013 12.7793 12.7793 13.0059 13.0059 13.1111 13.1111 13.5301 13.5301 15.0124 15.0124 k = 0.0000 0.0000 0.1305 ( 2900 PWs) bands (ev): -50.1770 -50.1770 -24.5022 -24.5022 -16.8246 -16.8246 -16.7608 -16.7608 -0.6642 -0.6642 1.0548 1.0548 5.6736 5.6736 7.4717 7.4717 7.5358 7.5358 7.9915 7.9915 8.0910 8.0910 8.2243 8.2243 8.5968 8.5968 8.6800 8.6800 9.4057 9.4057 9.4129 9.4129 9.4630 9.4630 10.2669 10.2669 10.3819 10.3819 11.2944 11.2944 12.6799 12.6799 12.7518 12.7518 13.0132 13.0132 13.1132 13.1132 13.5918 13.5918 14.9885 14.9885 k = 0.0000 0.0000 0.1423 ( 2906 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8247 -16.8247 -16.7609 -16.7609 -0.6391 -0.6391 1.0038 1.0038 5.7348 5.7348 7.4564 7.4564 7.5192 7.5192 8.0069 8.0069 8.1095 8.1095 8.2253 8.2253 8.6117 8.6117 8.6973 8.6973 9.3951 9.3951 9.4012 9.4012 9.4600 9.4600 10.2627 10.2627 10.3735 10.3735 11.1951 11.1951 12.6586 12.6586 12.7246 12.7246 13.0194 13.0194 13.1146 13.1146 13.6507 13.6507 14.9657 14.9657 k = 0.0000 0.0000 0.1542 ( 2906 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8247 -16.8247 -16.7609 -16.7609 -0.6122 -0.6122 0.9513 0.9513 5.7974 5.7974 7.4419 7.4419 7.5035 7.5035 8.0215 8.0215 8.1268 8.1268 8.2261 8.2261 8.6273 8.6273 8.7156 8.7156 9.3843 9.3843 9.3890 9.3890 9.4570 9.4570 10.2584 10.2584 10.3647 10.3647 11.0988 11.0988 12.6376 12.6376 12.6979 12.6979 13.0246 13.0246 13.1153 13.1153 13.7068 13.7068 14.9436 14.9436 k = 0.0000 0.0000 0.1660 ( 2918 PWs) bands (ev): -50.1770 -50.1770 -24.5024 -24.5024 -16.8248 -16.8248 -16.7610 -16.7610 -0.5838 -0.5838 0.8977 0.8977 5.8606 5.8606 7.4281 7.4281 7.4886 7.4886 8.0352 8.0352 8.1428 8.1428 8.2267 8.2267 8.6433 8.6433 8.7344 8.7344 9.3732 9.3732 9.3763 9.3763 9.4539 9.4539 10.2539 10.2539 10.3555 10.3555 11.0063 11.0063 12.6172 12.6172 12.6721 12.6721 13.0290 13.0290 13.1156 13.1156 13.7598 13.7598 14.9223 14.9223 k = 0.0000 0.0000 0.1779 ( 2912 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8247 -16.8247 -16.7610 -16.7610 -0.5540 -0.5540 0.8436 0.8436 5.9236 5.9236 7.4153 7.4153 7.4749 7.4749 8.0481 8.0481 8.1573 8.1573 8.2275 8.2275 8.6594 8.6594 8.7537 8.7537 9.3622 9.3622 9.3634 9.3634 9.4510 9.4510 10.2493 10.2493 10.3459 10.3459 10.9183 10.9183 12.5977 12.5977 12.6474 12.6474 13.0327 13.0327 13.1155 13.1155 13.8098 13.8098 14.9016 14.9016 k = 0.0000 0.0000 0.1898 ( 2906 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8248 -16.8248 -16.7609 -16.7609 -0.5231 -0.5231 0.7896 0.7896 5.9855 5.9855 7.4035 7.4035 7.4623 7.4623 8.0600 8.0600 8.1699 8.1699 8.2284 8.2284 8.6756 8.6756 8.7732 8.7732 9.3504 9.3504 9.3513 9.3513 9.4479 9.4479 10.2447 10.2447 10.3361 10.3361 10.8352 10.8352 12.5792 12.5792 12.6239 12.6239 13.0358 13.0358 13.1150 13.1150 13.8567 13.8567 14.8815 14.8815 k = 0.0000 0.0000 0.2016 ( 2906 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8248 -16.8248 -16.7609 -16.7609 -0.4913 -0.4913 0.7363 0.7363 6.0455 6.0455 7.3926 7.3926 7.4507 7.4507 8.0709 8.0709 8.1801 8.1801 8.2300 8.2300 8.6913 8.6913 8.7926 8.7926 9.3373 9.3373 9.3406 9.3406 9.4451 9.4451 10.2401 10.2401 10.3260 10.3260 10.7581 10.7581 12.5620 12.5620 12.6020 12.6020 13.0383 13.0383 13.1144 13.1144 13.9004 13.9004 14.8621 14.8621 k = 0.0000 0.0000 0.2135 ( 2906 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8248 -16.8248 -16.7609 -16.7609 -0.4592 -0.4592 0.6842 0.6842 6.1027 6.1027 7.3827 7.3827 7.4403 7.4403 8.0807 8.0807 8.1874 8.1874 8.2328 8.2328 8.7065 8.7065 8.8116 8.8116 9.3244 9.3244 9.3303 9.3303 9.4426 9.4426 10.2357 10.2357 10.3157 10.3157 10.6875 10.6875 12.5461 12.5461 12.5818 12.5818 13.0404 13.0404 13.1136 13.1136 13.9409 13.9409 14.8433 14.8433 k = 0.0000 0.0000 0.2253 ( 2906 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8248 -16.8248 -16.7609 -16.7609 -0.4272 -0.4272 0.6340 0.6340 6.1562 6.1562 7.3739 7.3739 7.4310 7.4310 8.0894 8.0894 8.1917 8.1917 8.2369 8.2369 8.7207 8.7207 8.8298 8.8298 9.3119 9.3119 9.3205 9.3205 9.4402 9.4402 10.2315 10.2315 10.3054 10.3054 10.6242 10.6242 12.5317 12.5317 12.5636 12.5636 13.0421 13.0421 13.1128 13.1128 13.9779 13.9779 14.8255 14.8255 k = 0.0000 0.0000 0.2372 ( 2900 PWs) bands (ev): -50.1770 -50.1770 -24.5022 -24.5022 -16.8248 -16.8248 -16.7608 -16.7608 -0.3959 -0.3959 0.5867 0.5867 6.2050 6.2050 7.3663 7.3663 7.4230 7.4230 8.0970 8.0970 8.1933 8.1933 8.2421 8.2421 8.7338 8.7338 8.8470 8.8470 9.3000 9.3000 9.3116 9.3116 9.4382 9.4382 10.2277 10.2277 10.2950 10.2950 10.5689 10.5689 12.5190 12.5190 12.5474 12.5474 13.0435 13.0435 13.1119 13.1119 14.0112 14.0112 14.8088 14.8088 k = 0.0000 0.0000 0.2491 ( 2900 PWs) bands (ev): -50.1770 -50.1770 -24.5022 -24.5022 -16.8248 -16.8248 -16.7608 -16.7608 -0.3662 -0.3662 0.5432 0.5432 6.2483 6.2483 7.3597 7.3597 7.4161 7.4161 8.1035 8.1035 8.1932 8.1932 8.2475 8.2475 8.7454 8.7454 8.8627 8.8627 9.2890 9.2890 9.3036 9.3036 9.4364 9.4364 10.2242 10.2242 10.2847 10.2847 10.5222 10.5222 12.5080 12.5080 12.5335 12.5335 13.0446 13.0446 13.1112 13.1112 14.0405 14.0405 14.7935 14.7935 k = 0.0000 0.0000 0.2609 ( 2894 PWs) bands (ev): -50.1770 -50.1770 -24.5022 -24.5022 -16.8247 -16.8247 -16.7608 -16.7608 -0.3390 -0.3390 0.5046 0.5046 6.2852 6.2852 7.3544 7.3544 7.4105 7.4105 8.1088 8.1088 8.1922 8.1922 8.2526 8.2526 8.7553 8.7553 8.8764 8.8764 9.2793 9.2793 9.2968 9.2968 9.4350 9.4350 10.2212 10.2212 10.2748 10.2748 10.4845 10.4845 12.4989 12.4989 12.5219 12.5219 13.0454 13.0454 13.1104 13.1104 14.0654 14.0654 14.7801 14.7801 k = 0.0000 0.0000 0.2728 ( 2888 PWs) bands (ev): -50.1770 -50.1770 -24.5021 -24.5021 -16.8247 -16.8247 -16.7608 -16.7608 -0.3158 -0.3158 0.4723 0.4723 6.3148 6.3148 7.3502 7.3502 7.4062 7.4062 8.1130 8.1130 8.1908 8.1908 8.2568 8.2568 8.7633 8.7633 8.8878 8.8878 9.2712 9.2712 9.2913 9.2913 9.4339 9.4339 10.2189 10.2189 10.2657 10.2657 10.4558 10.4558 12.4918 12.4918 12.5129 12.5129 13.0460 13.0460 13.1099 13.1099 14.0855 14.0855 14.7690 14.7690 k = 0.0000 0.0000 0.2846 ( 2906 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8248 -16.8248 -16.7609 -16.7609 -0.2977 -0.2977 0.4477 0.4477 6.3364 6.3364 7.3471 7.3471 7.4030 7.4030 8.1160 8.1160 8.1895 8.1895 8.2600 8.2600 8.7691 8.7691 8.8962 8.8962 9.2649 9.2649 9.2871 9.2871 9.4330 9.4330 10.2170 10.2170 10.2583 10.2583 10.4359 10.4359 12.4866 12.4866 12.5063 12.5063 13.0464 13.0464 13.1094 13.1094 14.1003 14.1003 14.7606 14.7606 k = 0.0000 0.0000 0.2965 ( 2906 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8248 -16.8248 -16.7609 -16.7609 -0.2862 -0.2862 0.4322 0.4322 6.3496 6.3496 7.3453 7.3453 7.4011 7.4011 8.1178 8.1178 8.1886 8.1886 8.2619 8.2619 8.7726 8.7726 8.9015 8.9015 9.2611 9.2611 9.2846 9.2846 9.4325 9.4325 10.2160 10.2160 10.2534 10.2534 10.4242 10.4242 12.4835 12.4835 12.5023 12.5023 13.0467 13.0467 13.1092 13.1092 14.1093 14.1093 14.7554 14.7554 k = 0.0000 0.0000 0.3084 ( 2894 PWs) bands (ev): -50.1770 -50.1770 -24.5022 -24.5022 -16.8248 -16.8248 -16.7608 -16.7608 -0.2822 -0.2822 0.4270 0.4270 6.3541 6.3541 7.3448 7.3448 7.4006 7.4006 8.1184 8.1184 8.1883 8.1883 8.2626 8.2626 8.7739 8.7739 8.9033 8.9033 9.2599 9.2599 9.2839 9.2839 9.4323 9.4323 10.2156 10.2156 10.2517 10.2517 10.4204 10.4204 12.4825 12.4825 12.5010 12.5010 13.0468 13.0468 13.1091 13.1091 14.1124 14.1124 14.7536 14.7536 k = 0.0000 0.0000 0.3084 ( 2894 PWs) bands (ev): -50.1770 -50.1770 -24.5022 -24.5022 -16.8248 -16.8248 -16.7608 -16.7608 -0.2822 -0.2822 0.4270 0.4270 6.3541 6.3541 7.3448 7.3448 7.4006 7.4006 8.1184 8.1184 8.1883 8.1883 8.2626 8.2626 8.7739 8.7739 8.9033 8.9033 9.2599 9.2599 9.2839 9.2839 9.4323 9.4323 10.2156 10.2156 10.2517 10.2517 10.4204 10.4204 12.4825 12.4825 12.5010 12.5010 13.0468 13.0468 13.1091 13.1091 14.1124 14.1124 14.7536 14.7536 k = 0.0104 0.0060 0.3084 ( 2902 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8248 -16.8248 -16.7610 -16.7610 -0.2808 -0.2808 0.4276 0.4276 6.3548 6.3548 7.3427 7.3427 7.3985 7.3985 8.1180 8.1180 8.1902 8.1902 8.2631 8.2631 8.7732 8.7732 8.9024 8.9024 9.2593 9.2593 9.2837 9.2837 9.4331 9.4331 10.2164 10.2164 10.2526 10.2526 10.4209 10.4209 12.4675 12.4675 12.4854 12.4854 13.0581 13.0581 13.1188 13.1188 14.1186 14.1186 14.7612 14.7612 k = 0.0208 0.0120 0.3084 ( 2906 PWs) bands (ev): -50.1770 -50.1770 -24.5024 -24.5024 -16.8249 -16.8249 -16.7613 -16.7613 -0.2767 -0.2767 0.4296 0.4296 6.3570 6.3570 7.3353 7.3353 7.3939 7.3939 8.1168 8.1168 8.1951 8.1951 8.2649 8.2649 8.7713 8.7713 8.8998 8.8998 9.2575 9.2575 9.2834 9.2834 9.4353 9.4353 10.2188 10.2188 10.2553 10.2553 10.4223 10.4223 12.4197 12.4197 12.4485 12.4485 13.0868 13.0868 13.1464 13.1464 14.1373 14.1373 14.7836 14.7836 k = 0.0312 0.0180 0.3084 ( 2902 PWs) bands (ev): -50.1769 -50.1769 -24.5024 -24.5024 -16.8249 -16.8249 -16.7619 -16.7619 -0.2698 -0.2698 0.4328 0.4328 6.3607 6.3607 7.3200 7.3200 7.3901 7.3901 8.1148 8.1148 8.2018 8.2018 8.2689 8.2689 8.7682 8.7682 8.8955 8.8955 9.2545 9.2545 9.2834 9.2834 9.4388 9.4388 10.2226 10.2226 10.2598 10.2598 10.4248 10.4248 12.3441 12.3441 12.4000 12.4000 13.1208 13.1208 13.1904 13.1904 14.1679 14.1679 14.8200 14.8200 k = 0.0417 0.0241 0.3084 ( 2898 PWs) bands (ev): -50.1769 -50.1769 -24.5026 -24.5026 -16.8250 -16.8250 -16.7627 -16.7627 -0.2602 -0.2602 0.4373 0.4373 6.3658 6.3658 7.2956 7.2956 7.3892 7.3892 8.1116 8.1116 8.2080 8.2080 8.2764 8.2764 8.7638 8.7638 8.8895 8.8895 9.2502 9.2502 9.2839 9.2839 9.4432 9.4432 10.2279 10.2279 10.2660 10.2660 10.4282 10.4282 12.2515 12.2515 12.3429 12.3429 13.1502 13.1502 13.2487 13.2487 14.2094 14.2094 14.8688 14.8688 k = 0.0521 0.0301 0.3084 ( 2892 PWs) bands (ev): -50.1769 -50.1769 -24.5027 -24.5027 -16.8251 -16.8251 -16.7637 -16.7637 -0.2479 -0.2479 0.4431 0.4431 6.3722 6.3722 7.2632 7.2632 7.3913 7.3913 8.1070 8.1070 8.2123 8.2123 8.2882 8.2882 8.7584 8.7584 8.8821 8.8821 9.2448 9.2448 9.2852 9.2852 9.4482 9.4482 10.2344 10.2344 10.2736 10.2736 10.4327 10.4327 12.1481 12.1481 12.2805 12.2805 13.1724 13.1724 13.3167 13.3167 14.2604 14.2604 14.9282 14.9282 k = 0.0625 0.0361 0.3084 ( 2894 PWs) bands (ev): -50.1768 -50.1768 -24.5030 -24.5030 -16.8253 -16.8253 -16.7649 -16.7649 -0.2328 -0.2328 0.4502 0.4502 6.3799 6.3799 7.2245 7.2245 7.3954 7.3954 8.1007 8.1007 8.2143 8.2143 8.3036 8.3036 8.7519 8.7519 8.8733 8.8733 9.2387 9.2387 9.2870 9.2870 9.4535 9.4535 10.2420 10.2420 10.2825 10.2825 10.4382 10.4382 12.0382 12.0382 12.2151 12.2151 13.1878 13.1878 13.3907 13.3907 14.3188 14.3188 14.9955 14.9955 k = 0.0729 0.0421 0.3084 ( 2902 PWs) bands (ev): -50.1768 -50.1768 -24.5034 -24.5034 -16.8256 -16.8256 -16.7664 -16.7664 -0.2152 -0.2152 0.4585 0.4585 6.3888 6.3888 7.1813 7.1813 7.4012 7.4012 8.0923 8.0923 8.2149 8.2149 8.3211 8.3211 8.7444 8.7444 8.8633 8.8633 9.2324 9.2324 9.2891 9.2891 9.4587 9.4587 10.2504 10.2504 10.2925 10.2925 10.4447 10.4447 11.9246 11.9246 12.1484 12.1484 13.1978 13.1978 13.4680 13.4680 14.3825 14.3825 15.0674 15.0674 k = 0.0833 0.0481 0.3084 ( 2898 PWs) bands (ev): -50.1767 -50.1767 -24.5037 -24.5037 -16.8258 -16.8258 -16.7680 -16.7680 -0.1949 -0.1949 0.4680 0.4680 6.3987 6.3987 7.1346 7.1346 7.4083 7.4083 8.0816 8.0816 8.2150 8.2150 8.3394 8.3394 8.7361 8.7361 8.8522 8.8522 9.2262 9.2262 9.2917 9.2917 9.4638 9.4638 10.2597 10.2597 10.3032 10.3032 10.4522 10.4522 11.8091 11.8091 12.0815 12.0815 13.2035 13.2035 13.5473 13.5473 14.4495 14.4495 15.1391 15.1391 k = 0.0938 0.0541 0.3084 ( 2900 PWs) bands (ev): -50.1767 -50.1767 -24.5041 -24.5041 -16.8261 -16.8261 -16.7698 -16.7698 -0.1720 -0.1720 0.4787 0.4787 6.4094 6.4094 7.0852 7.0852 7.4166 7.4166 8.0684 8.0684 8.2150 8.2150 8.3572 8.3572 8.7271 8.7271 8.8403 8.8403 9.2206 9.2206 9.2944 9.2944 9.4684 9.4684 10.2694 10.2694 10.3145 10.3145 10.4605 10.4605 11.6935 11.6935 12.0151 12.0151 13.2061 13.2061 13.6275 13.6275 14.5182 14.5182 15.2035 15.2035 k = 0.1042 0.0601 0.3084 ( 2896 PWs) bands (ev): -50.1766 -50.1766 -24.5044 -24.5044 -16.8264 -16.8264 -16.7717 -16.7717 -0.1466 -0.1466 0.4906 0.4906 6.4208 6.4208 7.0341 7.0341 7.4261 7.4261 8.0526 8.0526 8.2155 8.2155 8.3739 8.3739 8.7174 8.7174 8.8277 8.8277 9.2157 9.2157 9.2973 9.2973 9.4726 9.4726 10.2793 10.2793 10.3261 10.3261 10.4693 10.4693 11.5790 11.5790 11.9498 11.9498 13.2068 13.2068 13.7078 13.7078 14.5871 14.5871 15.2487 15.2487 k = 0.1146 0.0662 0.3084 ( 2896 PWs) bands (ev): -50.1765 -50.1765 -24.5049 -24.5049 -16.8269 -16.8269 -16.7738 -16.7738 -0.1188 -0.1188 0.5036 0.5036 6.4326 6.4326 6.9817 6.9817 7.4365 7.4365 8.0342 8.0342 8.2164 8.2164 8.3887 8.3887 8.7073 8.7073 8.8145 8.8145 9.2116 9.2116 9.3002 9.3002 9.4761 9.4761 10.2891 10.2891 10.3379 10.3379 10.4784 10.4784 11.4668 11.4668 11.8861 11.8861 13.2060 13.2060 13.7876 13.7876 14.6550 14.6550 15.2595 15.2595 k = 0.1250 0.0722 0.3084 ( 2896 PWs) bands (ev): -50.1765 -50.1765 -24.5054 -24.5054 -16.8274 -16.8274 -16.7760 -16.7760 -0.0885 -0.0885 0.5178 0.5178 6.4446 6.4446 6.9286 6.9286 7.4479 7.4479 8.0135 8.0135 8.2179 8.2179 8.4014 8.4014 8.6968 8.6968 8.8009 8.8009 9.2084 9.2084 9.3031 9.3031 9.4788 9.4788 10.2984 10.2984 10.3495 10.3495 10.4873 10.4873 11.3580 11.3580 11.8244 11.8244 13.2042 13.2042 13.8662 13.8662 14.7204 14.7204 15.2274 15.2274 k = 0.1354 0.0782 0.3084 ( 2892 PWs) bands (ev): -50.1764 -50.1764 -24.5059 -24.5059 -16.8279 -16.8279 -16.7782 -16.7782 -0.0559 -0.0559 0.5331 0.5331 6.4562 6.4562 6.8754 6.8754 7.4602 7.4602 7.9905 7.9905 8.2197 8.2197 8.4117 8.4117 8.6861 8.6861 8.7872 8.7872 9.2063 9.2063 9.3060 9.3060 9.4809 9.4809 10.3064 10.3064 10.3610 10.3610 10.4958 10.4958 11.2538 11.2538 11.7651 11.7651 13.2014 13.2014 13.9429 13.9429 14.7814 14.7814 15.1628 15.1628 k = 0.1458 0.0842 0.3084 ( 2898 PWs) bands (ev): -50.1763 -50.1763 -24.5065 -24.5065 -16.8286 -16.8286 -16.7807 -16.7807 -0.0211 -0.0211 0.5494 0.5494 6.4670 6.4670 6.8225 6.8225 7.4733 7.4733 7.9656 7.9656 8.2219 8.2219 8.4193 8.4193 8.6754 8.6754 8.7735 8.7735 9.2052 9.2052 9.3087 9.3087 9.4821 9.4821 10.3121 10.3121 10.3719 10.3719 10.5034 10.5034 11.1554 11.1554 11.7086 11.7086 13.1972 13.1972 14.0172 14.0172 14.8330 14.8330 15.0868 15.0868 k = 0.1562 0.0902 0.3084 ( 2900 PWs) bands (ev): -50.1762 -50.1762 -24.5071 -24.5071 -16.8294 -16.8294 -16.7831 -16.7831 0.0158 0.0158 0.5667 0.5667 6.4762 6.4762 6.7708 6.7708 7.4873 7.4873 7.9390 7.9390 8.2242 8.2242 8.4243 8.4243 8.6647 8.6647 8.7600 8.7600 9.2050 9.2050 9.3114 9.3114 9.4825 9.4825 10.3140 10.3140 10.3823 10.3823 10.5102 10.5102 11.0643 11.0643 11.6553 11.6553 13.1912 13.1912 14.0882 14.0882 14.8576 14.8576 15.0300 15.0300 k = 0.1667 0.0962 0.3084 ( 2908 PWs) bands (ev): -50.1761 -50.1761 -24.5078 -24.5078 -16.8304 -16.8304 -16.7856 -16.7856 0.0548 0.0548 0.5851 0.5851 6.4825 6.4825 6.7213 6.7213 7.5020 7.5020 7.9113 7.9113 8.2266 8.2266 8.4269 8.4269 8.6543 8.6543 8.7468 8.7468 9.2056 9.2056 9.3140 9.3140 9.4820 9.4820 10.3102 10.3102 10.3917 10.3917 10.5164 10.5164 10.9818 10.9818 11.6056 11.6056 13.1827 13.1827 14.1550 14.1550 14.8254 14.8254 15.0299 15.0299 k = 0.1771 0.1022 0.3084 ( 2904 PWs) bands (ev): -50.1760 -50.1760 -24.5084 -24.5084 -16.8315 -16.8315 -16.7879 -16.7879 0.0956 0.0956 0.6044 0.6044 6.4838 6.4838 6.6759 6.6759 7.5174 7.5174 7.8830 7.8830 8.2289 8.2289 8.4270 8.4270 8.6443 8.6443 8.7341 8.7341 9.2067 9.2067 9.3165 9.3165 9.4808 9.4808 10.2982 10.2982 10.4000 10.4000 10.5229 10.5229 10.9095 10.9095 11.5599 11.5599 13.1707 13.1707 14.2163 14.2163 14.7619 14.7619 15.0664 15.0664 k = 0.1875 0.1083 0.3084 ( 2904 PWs) bands (ev): -50.1759 -50.1759 -24.5090 -24.5090 -16.8327 -16.8327 -16.7903 -16.7903 0.1383 0.1383 0.6247 0.6247 6.4767 6.4767 6.6376 6.6376 7.5334 7.5334 7.8545 7.8545 8.2309 8.2309 8.4249 8.4249 8.6348 8.6348 8.7221 8.7221 9.2082 9.2082 9.3189 9.3189 9.4789 9.4789 10.2761 10.2761 10.4065 10.4065 10.5308 10.5308 10.8479 10.8479 11.5186 11.5186 13.1545 13.1545 14.2706 14.2706 14.6993 14.6993 15.1112 15.1112 k = 0.1979 0.1143 0.3084 ( 2912 PWs) bands (ev): -50.1758 -50.1758 -24.5098 -24.5098 -16.8342 -16.8342 -16.7926 -16.7926 0.1826 0.1826 0.6459 0.6459 6.4573 6.4573 6.6100 6.6100 7.5500 7.5500 7.8264 7.8264 8.2324 8.2324 8.4209 8.4209 8.6260 8.6260 8.7107 8.7107 9.2098 9.2098 9.3212 9.3212 9.4762 9.4762 10.2431 10.2431 10.4104 10.4104 10.5412 10.5412 10.7967 10.7967 11.4823 11.4823 13.1335 13.1335 14.3153 14.3153 14.6491 14.6491 15.1564 15.1564 k = 0.2083 0.1203 0.3084 ( 2924 PWs) bands (ev): -50.1757 -50.1757 -24.5106 -24.5106 -16.8359 -16.8359 -16.7947 -16.7947 0.2283 0.2283 0.6681 0.6681 6.4249 6.4249 6.5932 6.5932 7.5672 7.5672 7.7995 7.7995 8.2334 8.2334 8.4151 8.4151 8.6180 8.6180 8.7002 8.7002 9.2113 9.2113 9.3235 9.3235 9.4728 9.4728 10.2005 10.2005 10.4111 10.4111 10.5546 10.5546 10.7542 10.7542 11.4513 11.4513 13.1073 13.1073 14.3475 14.3475 14.6171 14.6171 15.2000 15.2000 k = 0.2188 0.1263 0.3084 ( 2928 PWs) bands (ev): -50.1756 -50.1756 -24.5113 -24.5113 -16.8377 -16.8377 -16.7967 -16.7967 0.2752 0.2752 0.6912 0.6912 6.3835 6.3835 6.5830 6.5830 7.5847 7.5847 7.7744 7.7744 8.2336 8.2336 8.4078 8.4078 8.6110 8.6110 8.6906 8.6906 9.2124 9.2124 9.3258 9.3258 9.4689 9.4689 10.1506 10.1506 10.4080 10.4080 10.5706 10.5706 10.7185 10.7185 11.4259 11.4259 13.0761 13.0761 14.3656 14.3656 14.6053 14.6053 15.2412 15.2412 k = 0.2292 0.1323 0.3084 ( 2936 PWs) bands (ev): -50.1755 -50.1755 -24.5121 -24.5121 -16.8398 -16.8398 -16.7986 -16.7986 0.3231 0.3231 0.7154 0.7154 6.3368 6.3368 6.5749 6.5749 7.6026 7.6026 7.7519 7.7519 8.2330 8.2330 8.3992 8.3992 8.6052 8.6052 8.6819 8.6819 9.2128 9.2128 9.3280 9.3280 9.4643 9.4643 10.0960 10.0960 10.4009 10.4009 10.5878 10.5878 10.6880 10.6880 11.4062 11.4062 13.0406 13.0406 14.3728 14.3728 14.6100 14.6100 15.2797 15.2797 k = 0.2396 0.1383 0.3084 ( 2940 PWs) bands (ev): -50.1754 -50.1754 -24.5129 -24.5129 -16.8421 -16.8421 -16.8003 -16.8003 0.3716 0.3716 0.7407 0.7407 6.2872 6.2872 6.5665 6.5665 7.6206 7.6206 7.7326 7.7326 8.2314 8.2314 8.3897 8.3897 8.6007 8.6007 8.6743 8.6743 9.2125 9.2125 9.3303 9.3303 9.4592 9.4592 10.0394 10.0394 10.3895 10.3895 10.6000 10.6000 10.6663 10.6663 11.3923 11.3923 13.0019 13.0019 14.3754 14.3754 14.6236 14.6236 15.3158 15.3158 k = 0.2500 0.1443 0.3084 ( 2940 PWs) bands (ev): -50.1753 -50.1753 -24.5136 -24.5136 -16.8445 -16.8445 -16.8018 -16.8018 0.4206 0.4206 0.7672 0.7672 6.2359 6.2359 6.5563 6.5563 7.6384 7.6384 7.7174 7.7174 8.2288 8.2288 8.3795 8.3795 8.5977 8.5977 8.6677 8.6677 9.2112 9.2112 9.3327 9.3327 9.4534 9.4534 9.9827 9.9827 10.3738 10.3738 10.5911 10.5911 10.6676 10.6676 11.3841 11.3841 12.9614 12.9614 14.3780 14.3780 14.6396 14.6396 15.3496 15.3496 k = 0.2604 0.1504 0.3084 ( 2936 PWs) bands (ev): -50.1752 -50.1752 -24.5143 -24.5143 -16.8470 -16.8470 -16.8031 -16.8031 0.4694 0.4694 0.7951 0.7951 6.1831 6.1831 6.5439 6.5439 7.6553 7.6553 7.7073 7.7073 8.2251 8.2251 8.3688 8.3688 8.5960 8.5960 8.6620 8.6620 9.2087 9.2087 9.3351 9.3351 9.4470 9.4470 9.9273 9.9273 10.3542 10.3542 10.5626 10.5626 10.6890 10.6890 11.3812 11.3812 12.9205 12.9205 14.3827 14.3827 14.6544 14.6544 15.3817 15.3817 k = 0.2708 0.1564 0.3084 ( 2928 PWs) bands (ev): -50.1750 -50.1750 -24.5150 -24.5150 -16.8497 -16.8497 -16.8041 -16.8041 0.5176 0.5176 0.8246 0.8246 6.1291 6.1291 6.5293 6.5293 7.6689 7.6689 7.7046 7.7046 8.2203 8.2203 8.3577 8.3577 8.5958 8.5958 8.6575 8.6575 9.2050 9.2050 9.3377 9.3377 9.4396 9.4396 9.8744 9.8744 10.3309 10.3309 10.5259 10.5259 10.7180 10.7180 11.3831 11.3831 12.8805 12.8805 14.3895 14.3895 14.6661 14.6661 15.4124 15.4124 k = 0.2812 0.1624 0.3084 ( 2926 PWs) bands (ev): -50.1749 -50.1749 -24.5157 -24.5157 -16.8525 -16.8525 -16.8051 -16.8051 0.5648 0.5648 0.8560 0.8560 6.0738 6.0738 6.5126 6.5126 7.6762 7.6762 7.7122 7.7122 8.2145 8.2145 8.3464 8.3464 8.5970 8.5970 8.6540 8.6540 9.2000 9.2000 9.3402 9.3402 9.4310 9.4310 9.8250 9.8250 10.3043 10.3043 10.4844 10.4844 10.7508 10.7508 11.3893 11.3893 12.8425 12.8425 14.3977 14.3977 14.6742 14.6742 15.4422 15.4422 k = 0.2917 0.1684 0.3084 ( 2922 PWs) bands (ev): -50.1748 -50.1748 -24.5163 -24.5163 -16.8554 -16.8554 -16.8060 -16.8060 0.6102 0.6102 0.8896 0.8896 6.0173 6.0173 6.4944 6.4944 7.6799 7.6799 7.7273 7.7273 8.2077 8.2077 8.3351 8.3351 8.5994 8.5994 8.6515 8.6515 9.1936 9.1936 9.3427 9.3427 9.4211 9.4211 9.7797 9.7797 10.2749 10.2749 10.4389 10.4389 10.7864 10.7864 11.3992 11.3992 12.8072 12.8072 14.4060 14.4060 14.6787 14.6787 15.4714 15.4714 k = 0.3021 0.1744 0.3084 ( 2922 PWs) bands (ev): -50.1747 -50.1747 -24.5170 -24.5170 -16.8583 -16.8583 -16.8067 -16.8067 0.6533 0.6533 0.9257 0.9257 5.9595 5.9595 6.4753 6.4753 7.6843 7.6843 7.7449 7.7449 8.2001 8.2001 8.3239 8.3239 8.6030 8.6030 8.6502 8.6502 9.1857 9.1857 9.3454 9.3454 9.4092 9.4092 9.7392 9.7392 10.2431 10.2431 10.3901 10.3901 10.8244 10.8244 11.4121 11.4121 12.7749 12.7749 14.4133 14.4133 14.6798 14.6798 15.4999 15.4999 k = 0.3125 0.1804 0.3084 ( 2922 PWs) bands (ev): -50.1746 -50.1746 -24.5177 -24.5177 -16.8613 -16.8613 -16.8074 -16.8074 0.6935 0.6935 0.9645 0.9645 5.9005 5.9005 6.4560 6.4560 7.6907 7.6907 7.7634 7.7634 8.1917 8.1917 8.3129 8.3129 8.6075 8.6075 8.6500 8.6500 9.1765 9.1765 9.3480 9.3480 9.3954 9.3954 9.7040 9.7040 10.2095 10.2095 10.3385 10.3385 10.8645 10.8645 11.4275 11.4275 12.7460 12.7460 14.4186 14.4186 14.6782 14.6782 15.5269 15.5269 k = 0.3229 0.1864 0.3084 ( 2922 PWs) bands (ev): -50.1745 -50.1745 -24.5184 -24.5184 -16.8642 -16.8642 -16.8079 -16.8079 0.7307 0.7307 1.0060 1.0060 5.8404 5.8404 6.4369 6.4369 7.6991 7.6991 7.7822 7.7822 8.1828 8.1828 8.3021 8.3021 8.6128 8.6128 8.6510 8.6510 9.1659 9.1659 9.3504 9.3504 9.3798 9.3798 9.6744 9.6744 10.1743 10.1743 10.2846 10.2846 10.9067 10.9067 11.4448 11.4448 12.7201 12.7201 14.4212 14.4212 14.6742 14.6742 15.5505 15.5505 k = 0.3333 0.1925 0.3084 ( 2922 PWs) bands (ev): -50.1744 -50.1744 -24.5190 -24.5190 -16.8671 -16.8671 -16.8084 -16.8084 0.7646 0.7646 1.0498 1.0498 5.7795 5.7795 6.4187 6.4187 7.7093 7.7093 7.8009 7.8009 8.1735 8.1735 8.2917 8.2917 8.6187 8.6187 8.6532 8.6532 9.1538 9.1538 9.3496 9.3496 9.3656 9.3656 9.6501 9.6501 10.1381 10.1381 10.2293 10.2293 10.9506 10.9506 11.4635 11.4635 12.6969 12.6969 14.4205 14.4205 14.6684 14.6684 15.5661 15.5661 k = 0.3438 0.1985 0.3084 ( 2922 PWs) bands (ev): -50.1743 -50.1743 -24.5196 -24.5196 -16.8699 -16.8699 -16.8088 -16.8088 0.7953 0.7953 1.0957 1.0957 5.7180 5.7180 6.4017 6.4017 7.7208 7.7208 7.8193 7.8193 8.1639 8.1639 8.2817 8.2817 8.6250 8.6250 8.6566 8.6566 9.1403 9.1403 9.3358 9.3358 9.3631 9.3631 9.6309 9.6309 10.1010 10.1010 10.1734 10.1734 10.9963 10.9963 11.4831 11.4831 12.6759 12.6759 14.4166 14.4166 14.6614 14.6614 15.5662 15.5662 k = 0.3542 0.2045 0.3084 ( 2914 PWs) bands (ev): -50.1742 -50.1742 -24.5201 -24.5201 -16.8726 -16.8726 -16.8091 -16.8091 0.8231 0.8231 1.1428 1.1428 5.6565 5.6565 6.3862 6.3862 7.7332 7.7332 7.8375 7.8375 8.1541 8.1541 8.2721 8.2721 8.6315 8.6315 8.6613 8.6613 9.1254 9.1254 9.3156 9.3156 9.3667 9.3667 9.6159 9.6159 10.0634 10.0634 10.1178 10.1178 11.0435 11.0435 11.5031 11.5031 12.6564 12.6564 14.4098 14.4098 14.6537 14.6537 15.5476 15.5476 k = 0.3646 0.2105 0.3084 ( 2914 PWs) bands (ev): -50.1741 -50.1741 -24.5207 -24.5207 -16.8753 -16.8753 -16.8094 -16.8094 0.8482 0.8482 1.1906 1.1906 5.5954 5.5954 6.3725 6.3725 7.7461 7.7461 7.8552 7.8552 8.1443 8.1443 8.2628 8.2628 8.6381 8.6381 8.6669 8.6669 9.1091 9.1091 9.2943 9.2943 9.3718 9.3718 9.6043 9.6043 10.0250 10.0250 10.0636 10.0636 11.0921 11.0921 11.5233 11.5233 12.6377 12.6377 14.4004 14.4004 14.6457 14.6457 15.5177 15.5177 k = 0.3750 0.2165 0.3084 ( 2914 PWs) bands (ev): -50.1740 -50.1740 -24.5212 -24.5212 -16.8778 -16.8778 -16.8097 -16.8097 0.8709 0.8709 1.2383 1.2383 5.5352 5.5352 6.3605 6.3605 7.7592 7.7592 7.8724 7.8724 8.1345 8.1345 8.2540 8.2540 8.6450 8.6450 8.6735 8.6735 9.0915 9.0915 9.2730 9.2730 9.3781 9.3781 9.5953 9.5953 9.9855 9.9855 10.0124 10.0124 11.1418 11.1418 11.5432 11.5432 12.6191 12.6191 14.3894 14.3894 14.6380 14.6380 15.4835 15.4835 k = 0.3854 0.2225 0.3084 ( 2918 PWs) bands (ev): -50.1740 -50.1740 -24.5217 -24.5217 -16.8802 -16.8802 -16.8099 -16.8099 0.8913 0.8913 1.2853 1.2853 5.4765 5.4765 6.3503 6.3503 7.7721 7.7721 7.8890 7.8890 8.1248 8.1248 8.2455 8.2455 8.6520 8.6520 8.6808 8.6808 9.0729 9.0729 9.2525 9.2525 9.3853 9.3853 9.5882 9.5882 9.9435 9.9435 9.9664 9.9664 11.1923 11.1923 11.5626 11.5626 12.5998 12.5998 14.3778 14.3778 14.6308 14.6308 15.4483 15.4483 k = 0.3958 0.2285 0.3084 ( 2924 PWs) bands (ev): -50.1739 -50.1739 -24.5223 -24.5223 -16.8825 -16.8825 -16.8101 -16.8101 0.9097 0.9097 1.3309 1.3309 5.4200 5.4200 6.3419 6.3419 7.7845 7.7845 7.9050 7.9050 8.1153 8.1153 8.2374 8.2374 8.6591 8.6591 8.6887 8.6887 9.0533 9.0533 9.2332 9.2332 9.3938 9.3938 9.5823 9.5823 9.8995 9.8995 9.9261 9.9261 11.2433 11.2433 11.5813 11.5813 12.5794 12.5794 14.3666 14.3666 14.6244 14.6244 15.4130 15.4130 k = 0.4062 0.2345 0.3084 ( 2922 PWs) bands (ev): -50.1738 -50.1738 -24.5227 -24.5227 -16.8845 -16.8845 -16.8103 -16.8103 0.9262 0.9262 1.3745 1.3745 5.3663 5.3663 6.3350 6.3350 7.7963 7.7963 7.9203 7.9203 8.1060 8.1060 8.2297 8.2297 8.6664 8.6664 8.6970 8.6970 9.0333 9.0333 9.2153 9.2153 9.4034 9.4034 9.5773 9.5773 9.8565 9.8565 9.8893 9.8893 11.2943 11.2943 11.5991 11.5991 12.5574 12.5574 14.3567 14.3567 14.6188 14.6188 15.3779 15.3779 k = 0.4167 0.2406 0.3084 ( 2922 PWs) bands (ev): -50.1738 -50.1738 -24.5231 -24.5231 -16.8864 -16.8864 -16.8104 -16.8104 0.9408 0.9408 1.4155 1.4155 5.3161 5.3161 6.3296 6.3296 7.8072 7.8072 7.9348 7.9348 8.0970 8.0970 8.2224 8.2224 8.6737 8.6737 8.7056 8.7056 9.0131 9.0131 9.1989 9.1989 9.4143 9.4143 9.5728 9.5728 9.8166 9.8166 9.8548 9.8548 11.3447 11.3447 11.6158 11.6158 12.5337 12.5337 14.3490 14.3490 14.6141 14.6141 15.3430 15.3430 k = 0.4271 0.2466 0.3084 ( 2912 PWs) bands (ev): -50.1737 -50.1737 -24.5233 -24.5233 -16.8880 -16.8880 -16.8105 -16.8105 0.9536 0.9536 1.4533 1.4533 5.2699 5.2699 6.3255 6.3255 7.8172 7.8172 7.9486 7.9486 8.0883 8.0883 8.2155 8.2155 8.6807 8.6807 8.7147 8.7147 8.9930 8.9930 9.1842 9.1842 9.4265 9.4265 9.5684 9.5684 9.7805 9.7805 9.8225 9.8225 11.3938 11.3938 11.6313 11.6313 12.5085 12.5085 14.3438 14.3438 14.6102 14.6102 15.3086 15.3086 k = 0.4375 0.2526 0.3084 ( 2918 PWs) bands (ev): -50.1737 -50.1737 -24.5237 -24.5237 -16.8895 -16.8895 -16.8106 -16.8106 0.9647 0.9647 1.4874 1.4874 5.2284 5.2284 6.3224 6.3224 7.8260 7.8260 7.9616 7.9616 8.0799 8.0799 8.2091 8.2091 8.6873 8.6873 8.7239 8.7239 8.9734 8.9734 9.1712 9.1712 9.4397 9.4397 9.5638 9.5638 9.7484 9.7484 9.7926 9.7926 11.4404 11.4404 11.6456 11.6456 12.4821 12.4821 14.3414 14.3414 14.6073 14.6073 15.2751 15.2751 k = 0.4479 0.2586 0.3084 ( 2924 PWs) bands (ev): -50.1736 -50.1736 -24.5240 -24.5240 -16.8908 -16.8908 -16.8107 -16.8107 0.9740 0.9740 1.5172 1.5172 5.1921 5.1921 6.3202 6.3202 7.8336 7.8336 7.9738 7.9738 8.0717 8.0717 8.2033 8.2033 8.6931 8.6931 8.7334 8.7334 8.9548 8.9548 9.1599 9.1599 9.4541 9.4541 9.5591 9.5591 9.7202 9.7202 9.7658 9.7658 11.4835 11.4835 11.6587 11.6587 12.4554 12.4554 14.3413 14.3413 14.6050 14.6050 15.2435 15.2435 k = 0.4583 0.2646 0.3084 ( 2928 PWs) bands (ev): -50.1736 -50.1736 -24.5242 -24.5242 -16.8919 -16.8919 -16.8108 -16.8108 0.9817 0.9817 1.5423 1.5423 5.1617 5.1617 6.3187 6.3187 7.8400 7.8400 7.9852 7.9852 8.0637 8.0637 8.1982 8.1982 8.6980 8.6980 8.7428 8.7428 8.9377 8.9377 9.1505 9.1505 9.4692 9.4692 9.5542 9.5542 9.6953 9.6953 9.7432 9.7432 11.5214 11.5214 11.6708 11.6708 12.4298 12.4298 14.3431 14.3431 14.6035 14.6035 15.2149 15.2149 k = 0.4688 0.2706 0.3084 ( 2920 PWs) bands (ev): -50.1736 -50.1736 -24.5243 -24.5243 -16.8927 -16.8927 -16.8108 -16.8108 0.9876 0.9876 1.5623 1.5623 5.1375 5.1375 6.3177 6.3177 7.8451 7.8451 7.9957 7.9957 8.0560 8.0560 8.1941 8.1941 8.7020 8.7020 8.7518 8.7518 8.9227 8.9227 9.1431 9.1431 9.4845 9.4845 9.5495 9.5495 9.6733 9.6733 9.7255 9.7255 11.5525 11.5525 11.6817 11.6817 12.4068 12.4068 14.3459 14.3459 14.6025 14.6025 15.1905 15.1905 k = 0.4792 0.2766 0.3084 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5244 -24.5244 -16.8932 -16.8932 -16.8108 -16.8108 0.9919 0.9919 1.5768 1.5768 5.1199 5.1199 6.3171 6.3171 7.8487 7.8487 8.0050 8.0050 8.0487 8.0487 8.1910 8.1910 8.7049 8.7049 8.7595 8.7595 8.9107 8.9107 9.1377 9.1377 9.4990 9.4990 9.5452 9.5452 9.6547 9.6547 9.7132 9.7132 11.5753 11.5753 11.6909 11.6909 12.3883 12.3883 14.3489 14.3489 14.6019 14.6019 15.1718 15.1718 k = 0.4896 0.2827 0.3084 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8936 -16.8936 -16.8109 -16.8109 0.9944 0.9944 1.5857 1.5857 5.1092 5.1092 6.3168 6.3168 7.8509 7.8509 8.0124 8.0124 8.0426 8.0426 8.1890 8.1890 8.7066 8.7066 8.7648 8.7648 8.9027 8.9027 9.1344 9.1344 9.5106 9.5106 9.5414 9.5414 9.6416 9.6416 9.7060 9.7060 11.5890 11.5890 11.6973 11.6973 12.3762 12.3762 14.3510 14.3510 14.6017 14.6017 15.1600 15.1600 k = 0.5000 0.2887 0.3084 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8109 -16.8109 0.9953 0.9953 1.5886 1.5886 5.1057 5.1057 6.3167 6.3167 7.8516 7.8516 8.0156 8.0156 8.0398 8.0398 8.1884 8.1884 8.7072 8.7072 8.7668 8.7668 8.8999 8.8999 9.1334 9.1334 9.5156 9.5156 9.5395 9.5395 9.6366 9.6366 9.7037 9.7037 11.5935 11.5935 11.6996 11.6996 12.3720 12.3720 14.3518 14.3518 14.6016 14.6016 15.1560 15.1560 k = 0.5000 0.2887 0.3084 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8109 -16.8109 0.9953 0.9953 1.5886 1.5886 5.1057 5.1057 6.3167 6.3167 7.8516 7.8516 8.0156 8.0156 8.0398 8.0398 8.1884 8.1884 8.7072 8.7072 8.7668 8.7668 8.8999 8.8999 9.1334 9.1334 9.5156 9.5156 9.5395 9.5395 9.6366 9.6366 9.7037 9.7037 11.5935 11.5935 11.6996 11.6996 12.3720 12.3720 14.3518 14.3518 14.6016 14.6016 15.1560 15.1560 k = 0.4940 0.2990 0.3084 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8109 -16.8109 0.9961 0.9961 1.5885 1.5885 5.1074 5.1074 6.3166 6.3166 7.8518 7.8518 8.0153 8.0153 8.0337 8.0337 8.1920 8.1920 8.7074 8.7074 8.7668 8.7668 8.8999 8.8999 9.1323 9.1323 9.5065 9.5065 9.5468 9.5468 9.6362 9.6362 9.7056 9.7056 11.5915 11.5915 11.6912 11.6912 12.3798 12.3798 14.3557 14.3557 14.5963 14.5963 15.1670 15.1670 k = 0.4881 0.3093 0.3084 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8936 -16.8936 -16.8112 -16.8112 0.9987 0.9987 1.5880 1.5880 5.1126 5.1126 6.3164 6.3164 7.8523 7.8523 8.0105 8.0105 8.0211 8.0211 8.2014 8.2014 8.7083 8.7083 8.7668 8.7668 8.8999 8.8999 9.1291 9.1291 9.4901 9.4901 9.5578 9.5578 9.6343 9.6343 9.7121 9.7121 11.5837 11.5837 11.6686 11.6686 12.4016 12.4016 14.3666 14.3666 14.5826 14.5826 15.1981 15.1981 k = 0.4821 0.3196 0.3084 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8934 -16.8934 -16.8116 -16.8116 1.0029 1.0029 1.5873 1.5873 5.1211 5.1211 6.3159 6.3159 7.8530 7.8530 7.9871 7.9871 8.0189 8.0189 8.2136 8.2136 8.7097 8.7097 8.7669 8.7669 8.9000 8.9000 9.1239 9.1239 9.4721 9.4721 9.5669 9.5669 9.6303 9.6303 9.7237 9.7237 11.5646 11.5646 11.6411 11.6411 12.4341 12.4341 14.3826 14.3826 14.5658 14.5658 15.2451 15.2451 k = 0.4762 0.3299 0.3084 ( 2924 PWs) bands (ev): -50.1735 -50.1735 -24.5247 -24.5247 -16.8932 -16.8932 -16.8121 -16.8121 1.0088 1.0088 1.5862 1.5862 5.1332 5.1332 6.3152 6.3152 7.8538 7.8538 7.9551 7.9551 8.0196 8.0196 8.2264 8.2264 8.7116 8.7116 8.7669 8.7669 8.9000 8.9000 9.1167 9.1167 9.4538 9.4538 9.5734 9.5734 9.6237 9.6237 9.7408 9.7408 11.5268 11.5268 11.6196 11.6196 12.4737 12.4737 14.4001 14.4001 14.5530 14.5530 15.3034 15.3034 k = 0.4702 0.3402 0.3084 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5247 -24.5247 -16.8929 -16.8929 -16.8128 -16.8128 1.0164 1.0164 1.5849 1.5849 5.1486 5.1486 6.3143 6.3143 7.8541 7.8541 7.9188 7.9188 8.0207 8.0207 8.2388 8.2388 8.7142 8.7142 8.7670 8.7670 8.9001 8.9001 9.1075 9.1075 9.4356 9.4356 9.5776 9.5776 9.6148 9.6148 9.7626 9.7626 11.4732 11.4732 11.6042 11.6042 12.5175 12.5175 14.4133 14.4133 14.5516 14.5516 15.3680 15.3680 k = 0.4643 0.3505 0.3084 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5248 -24.5248 -16.8925 -16.8925 -16.8136 -16.8136 1.0255 1.0255 1.5832 1.5832 5.1673 5.1673 6.3132 6.3132 7.8494 7.8494 7.8833 7.8833 8.0222 8.0222 8.2499 8.2499 8.7173 8.7173 8.7669 8.7669 8.9000 8.9000 9.0964 9.0964 9.4178 9.4178 9.5799 9.5799 9.6043 9.6043 9.7883 9.7883 11.4113 11.4113 11.5895 11.5895 12.5635 12.5635 14.4193 14.4193 14.5652 14.5652 15.4205 15.4205 k = 0.4583 0.3608 0.3084 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5249 -24.5249 -16.8920 -16.8920 -16.8146 -16.8146 1.0362 1.0362 1.5812 1.5812 5.1894 5.1894 6.3118 6.3118 7.8196 7.8196 7.8691 7.8691 8.0239 8.0239 8.2596 8.2596 8.7210 8.7210 8.7668 8.7668 8.8999 8.8999 9.0837 9.0837 9.4005 9.4005 9.5804 9.5804 9.5933 9.5933 9.8169 9.8169 11.3456 11.3456 11.5725 11.5725 12.6104 12.6104 14.4215 14.4215 14.5894 14.5894 15.3706 15.3706 k = 0.4524 0.3712 0.3084 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5250 -24.5250 -16.8915 -16.8915 -16.8157 -16.8157 1.0484 1.0484 1.5789 1.5789 5.2148 5.2148 6.3101 6.3101 7.7722 7.7722 7.8691 7.8691 8.0259 8.0259 8.2678 8.2678 8.7252 8.7252 8.7664 8.7664 8.8995 8.8995 9.0696 9.0696 9.3838 9.3838 9.5760 9.5760 9.5857 9.5857 9.8480 9.8480 11.2785 11.2785 11.5519 11.5519 12.6576 12.6576 14.4253 14.4253 14.6168 14.6168 15.2930 15.2930 k = 0.4464 0.3815 0.3084 ( 2928 PWs) bands (ev): -50.1734 -50.1734 -24.5252 -24.5252 -16.8910 -16.8910 -16.8169 -16.8169 1.0620 1.0620 1.5762 1.5762 5.2434 5.2434 6.3081 6.3081 7.7191 7.7191 7.8716 7.8716 8.0280 8.0280 8.2742 8.2742 8.7298 8.7298 8.7657 8.7657 8.8988 8.8988 9.0546 9.0546 9.3677 9.3677 9.5653 9.5653 9.5836 9.5836 9.8809 9.8809 11.2118 11.2118 11.5269 11.5269 12.7048 12.7048 14.4342 14.4342 14.6414 14.6414 15.2163 15.2163 k = 0.4405 0.3918 0.3084 ( 2928 PWs) bands (ev): -50.1734 -50.1734 -24.5253 -24.5253 -16.8904 -16.8904 -16.8182 -16.8182 1.0769 1.0769 1.5732 1.5732 5.2753 5.2753 6.3058 6.3058 7.6620 7.6620 7.8750 7.8750 8.0304 8.0304 8.2792 8.2792 8.7348 8.7348 8.7647 8.7647 8.8977 8.8977 9.0391 9.0391 9.3524 9.3524 9.5536 9.5536 9.5823 9.5823 9.9155 9.9155 11.1465 11.1465 11.4970 11.4970 12.7520 12.7520 14.4491 14.4491 14.6598 14.6598 15.1429 15.1429 k = 0.4345 0.4021 0.3084 ( 2928 PWs) bands (ev): -50.1734 -50.1734 -24.5254 -24.5254 -16.8898 -16.8898 -16.8196 -16.8196 1.0931 1.0931 1.5698 1.5698 5.3102 5.3102 6.3031 6.3031 7.6014 7.6014 7.8789 7.8789 8.0329 8.0329 8.2825 8.2825 8.7399 8.7399 8.7633 8.7633 8.8960 8.8960 9.0238 9.0238 9.3377 9.3377 9.5422 9.5422 9.5808 9.5808 9.9514 9.9514 11.0834 11.0834 11.4624 11.4624 12.7994 12.7994 14.4692 14.4692 14.6709 14.6709 15.0734 15.0734 k = 0.4286 0.4124 0.3084 ( 2928 PWs) bands (ev): -50.1734 -50.1734 -24.5256 -24.5256 -16.8891 -16.8891 -16.8211 -16.8211 1.1105 1.1105 1.5660 1.5660 5.3481 5.3481 6.3000 6.3000 7.5377 7.5377 7.8832 7.8832 8.0357 8.0357 8.2843 8.2843 8.7441 8.7441 8.7622 8.7622 8.8934 8.8934 9.0094 9.0094 9.3239 9.3239 9.5315 9.5315 9.5790 9.5790 9.9885 9.9885 11.0231 11.0231 11.4231 11.4231 12.8470 12.8470 14.4909 14.4909 14.6767 14.6767 15.0084 15.0084 k = 0.4226 0.4227 0.3084 ( 2926 PWs) bands (ev): -50.1734 -50.1734 -24.5257 -24.5257 -16.8884 -16.8884 -16.8226 -16.8226 1.1289 1.1289 1.5618 1.5618 5.3890 5.3890 6.2965 6.2965 7.4712 7.4712 7.8878 7.8878 8.0386 8.0386 8.2847 8.2847 8.7453 8.7453 8.7633 8.7633 8.8901 8.8901 8.9968 8.9968 9.3109 9.3109 9.5216 9.5216 9.5769 9.5769 10.0267 10.0267 10.9661 10.9661 11.3797 11.3797 12.8950 12.8950 14.5068 14.5068 14.6831 14.6831 14.9494 14.9494 k = 0.4167 0.4330 0.3084 ( 2926 PWs) bands (ev): -50.1733 -50.1733 -24.5258 -24.5258 -16.8876 -16.8876 -16.8242 -16.8242 1.1483 1.1483 1.5572 1.5572 5.4328 5.4328 6.2926 6.2926 7.4021 7.4021 7.8925 7.8925 8.0418 8.0418 8.2837 8.2837 8.7416 8.7416 8.7679 8.7679 8.8859 8.8859 8.9864 8.9864 9.2987 9.2987 9.5126 9.5126 9.5745 9.5745 10.0656 10.0656 10.9128 10.9128 11.3326 11.3326 12.9438 12.9438 14.5076 14.5076 14.6957 14.6957 14.9008 14.9008 k = 0.4107 0.4433 0.3084 ( 2932 PWs) bands (ev): -50.1733 -50.1733 -24.5260 -24.5260 -16.8869 -16.8869 -16.8258 -16.8258 1.1684 1.1684 1.5523 1.5523 5.4792 5.4792 6.2882 6.2882 7.3309 7.3309 7.8973 7.8973 8.0454 8.0454 8.2813 8.2813 8.7343 8.7343 8.7744 8.7744 8.8815 8.8815 8.9784 8.9784 9.2874 9.2874 9.5045 9.5045 9.5717 9.5717 10.1052 10.1052 10.8632 10.8632 11.2825 11.2825 12.9934 12.9934 14.4900 14.4900 14.7052 14.7052 14.8759 14.8759 k = 0.4048 0.4536 0.3084 ( 2932 PWs) bands (ev): -50.1733 -50.1733 -24.5262 -24.5262 -16.8862 -16.8862 -16.8274 -16.8274 1.1892 1.1892 1.5468 1.5468 5.5283 5.5283 6.2833 6.2833 7.2579 7.2579 7.9021 7.9021 8.0494 8.0494 8.2777 8.2777 8.7241 8.7241 8.7819 8.7819 8.8773 8.8773 8.9725 8.9725 9.2769 9.2769 9.4972 9.4972 9.5687 9.5687 10.1454 10.1454 10.8176 10.8176 11.2302 11.2302 13.0441 13.0441 14.4583 14.4583 14.6891 14.6891 14.8938 14.8938 k = 0.3988 0.4639 0.3084 ( 2924 PWs) bands (ev): -50.1733 -50.1733 -24.5262 -24.5262 -16.8854 -16.8854 -16.8289 -16.8289 1.2105 1.2105 1.5410 1.5410 5.5798 5.5798 6.2779 6.2779 7.1836 7.1836 7.9067 7.9067 8.0541 8.0541 8.2730 8.2730 8.7119 8.7119 8.7899 8.7899 8.8740 8.8740 8.9684 8.9684 9.2674 9.2674 9.4909 9.4909 9.5655 9.5655 10.1858 10.1858 10.7761 10.7761 11.1764 11.1764 13.0958 13.0958 14.4177 14.4177 14.6502 14.6502 14.9473 14.9473 k = 0.3929 0.4743 0.3084 ( 2920 PWs) bands (ev): -50.1732 -50.1732 -24.5264 -24.5264 -16.8846 -16.8846 -16.8304 -16.8304 1.2321 1.2321 1.5347 1.5347 5.6335 5.6335 6.2721 6.2721 7.1083 7.1083 7.9109 7.9109 8.0593 8.0593 8.2673 8.2673 8.6982 8.6982 8.7982 8.7982 8.8717 8.8717 8.9656 8.9656 9.2587 9.2587 9.4853 9.4853 9.5620 9.5620 10.2263 10.2263 10.7387 10.7387 11.1219 11.1219 13.1486 13.1486 14.3719 14.3719 14.6027 14.6027 15.0189 15.0189 k = 0.3869 0.4846 0.3084 ( 2924 PWs) bands (ev): -50.1732 -50.1732 -24.5265 -24.5265 -16.8840 -16.8840 -16.8319 -16.8319 1.2539 1.2539 1.5280 1.5280 5.6892 5.6892 6.2659 6.2659 7.0325 7.0325 7.9147 7.9147 8.0655 8.0655 8.2605 8.2605 8.6835 8.6835 8.8064 8.8064 8.8707 8.8707 8.9634 8.9634 9.2508 9.2508 9.4805 9.4805 9.5585 9.5585 10.2667 10.2667 10.7055 10.7055 11.0672 11.0672 13.2024 13.2024 14.3233 14.3233 14.5528 14.5528 15.1004 15.1004 k = 0.3810 0.4949 0.3084 ( 2932 PWs) bands (ev): -50.1732 -50.1732 -24.5267 -24.5267 -16.8834 -16.8834 -16.8334 -16.8334 1.2755 1.2755 1.5209 1.5209 5.7466 5.7466 6.2593 6.2593 6.9569 6.9569 7.9179 7.9179 8.0725 8.0725 8.2529 8.2529 8.6686 8.6686 8.8146 8.8146 8.8706 8.8706 8.9617 8.9617 9.2437 9.2437 9.4765 9.4765 9.5547 9.5547 10.3066 10.3066 10.6764 10.6764 11.0132 11.0132 13.2570 13.2570 14.2737 14.2737 14.5030 14.5030 15.1883 15.1883 k = 0.3750 0.5052 0.3084 ( 2932 PWs) bands (ev): -50.1732 -50.1732 -24.5269 -24.5269 -16.8828 -16.8828 -16.8346 -16.8346 1.2967 1.2967 1.5134 1.5134 5.8052 5.8052 6.2525 6.2525 6.8819 6.8819 7.9204 7.9204 8.0805 8.0805 8.2445 8.2445 8.6540 8.6540 8.8225 8.8225 8.8714 8.8714 8.9601 8.9601 9.2375 9.2375 9.4732 9.4732 9.5510 9.5510 10.3455 10.3455 10.6518 10.6518 10.9605 10.9605 13.3118 13.3118 14.2247 14.2247 14.4542 14.4542 15.2804 15.2804 k = 0.3690 0.5155 0.3084 ( 2936 PWs) bands (ev): -50.1732 -50.1732 -24.5270 -24.5270 -16.8823 -16.8823 -16.8358 -16.8358 1.3173 1.3173 1.5056 1.5056 5.8644 5.8644 6.2458 6.2458 6.8084 6.8084 7.9223 7.9223 8.0896 8.0896 8.2354 8.2354 8.6403 8.6403 8.8301 8.8301 8.8729 8.8729 8.9584 8.9584 9.2321 9.2321 9.4707 9.4707 9.5474 9.5474 10.3826 10.3826 10.6319 10.6319 10.9097 10.9097 13.3662 13.3662 14.1780 14.1780 14.4070 14.4070 15.3752 15.3752 k = 0.3631 0.5258 0.3084 ( 2940 PWs) bands (ev): -50.1731 -50.1731 -24.5272 -24.5272 -16.8818 -16.8818 -16.8369 -16.8369 1.3368 1.3368 1.4975 1.4975 5.9231 5.9231 6.2397 6.2397 6.7371 6.7371 7.9235 7.9235 8.0995 8.0995 8.2256 8.2256 8.6279 8.6279 8.8371 8.8371 8.8748 8.8748 8.9565 8.9565 9.2276 9.2276 9.4688 9.4688 9.5438 9.5438 10.4169 10.4169 10.6176 10.6176 10.8612 10.8612 13.4187 13.4187 14.1354 14.1354 14.3618 14.3618 15.4717 15.4717 k = 0.3571 0.5361 0.3084 ( 2944 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8815 -16.8815 -16.8377 -16.8377 1.3549 1.3549 1.4895 1.4895 5.9795 5.9795 6.2352 6.2352 6.6692 6.6692 7.9242 7.9242 8.1103 8.1103 8.2154 8.2154 8.6171 8.6171 8.8435 8.8435 8.8768 8.8768 8.9543 8.9543 9.2239 9.2239 9.4676 9.4676 9.5406 9.5406 10.4464 10.4464 10.6104 10.6104 10.8157 10.8157 13.4677 13.4677 14.0992 14.0992 14.3190 14.3190 15.5689 15.5689 k = 0.3512 0.5464 0.3084 ( 2948 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8812 -16.8812 -16.8384 -16.8384 1.3709 1.3709 1.4817 1.4817 6.0305 6.0305 6.2342 6.2342 6.6063 6.6063 7.9245 7.9245 8.1215 8.1215 8.2049 8.2049 8.6083 8.6083 8.8490 8.8490 8.8788 8.8788 8.9521 8.9521 9.2211 9.2211 9.4670 9.4670 9.5378 9.5378 10.4685 10.4685 10.6124 10.6124 10.7737 10.7737 13.5101 13.5101 14.0722 14.0722 14.2793 14.2793 15.6656 15.6656 k = 0.3452 0.5567 0.3084 ( 2948 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8811 -16.8811 -16.8389 -16.8389 1.3839 1.3839 1.4750 1.4750 6.0705 6.0705 6.2393 6.2393 6.5517 6.5517 7.9245 7.9245 8.1326 8.1326 8.1946 8.1946 8.6018 8.6018 8.8533 8.8533 8.8807 8.8807 8.9499 8.9499 9.2190 9.2190 9.4667 9.4667 9.5356 9.5356 10.4817 10.4817 10.6247 10.6247 10.7355 10.7355 13.5426 13.5426 14.0571 14.0571 14.2441 14.2441 15.7611 15.7611 k = 0.3393 0.5670 0.3084 ( 2944 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8809 -16.8809 -16.8392 -16.8392 1.3926 1.3926 1.4703 1.4703 6.0939 6.0939 6.2504 6.2504 6.5112 6.5112 7.9244 7.9244 8.1423 8.1423 8.1856 8.1856 8.5977 8.5977 8.8561 8.8561 8.8820 8.8820 8.9483 8.9483 9.2178 9.2178 9.4668 9.4668 9.5342 9.5342 10.4873 10.4873 10.6455 10.6455 10.7016 10.7016 13.5624 13.5624 14.0539 14.0539 14.2166 14.2166 15.8533 15.8533 k = 0.3333 0.5774 0.3084 ( 2946 PWs) bands (ev): -50.1731 -50.1731 -24.5275 -24.5275 -16.8809 -16.8809 -16.8393 -16.8393 1.3956 1.3956 1.4686 1.4686 6.1006 6.1006 6.2576 6.2576 6.4952 6.4952 7.9243 7.9243 8.1468 8.1468 8.1814 8.1814 8.5963 8.5963 8.8571 8.8571 8.8825 8.8825 8.9476 8.9476 9.2174 9.2174 9.4668 9.4668 9.5336 9.5336 10.4885 10.4885 10.6670 10.6670 10.6764 10.6764 13.5686 13.5686 14.0558 14.0558 14.2048 14.2048 15.9212 15.9212 k = 0.3333 0.5774 0.3084 ( 2946 PWs) bands (ev): -50.1731 -50.1731 -24.5275 -24.5275 -16.8809 -16.8809 -16.8393 -16.8393 1.3956 1.3956 1.4686 1.4686 6.1006 6.1006 6.2576 6.2576 6.4952 6.4952 7.9243 7.9243 8.1468 8.1468 8.1814 8.1814 8.5963 8.5963 8.8571 8.8571 8.8825 8.8825 8.9476 8.9476 9.2174 9.2174 9.4668 9.4668 9.5336 9.5336 10.4885 10.4885 10.6670 10.6670 10.6764 10.6764 13.5686 13.5686 14.0558 14.0558 14.2048 14.2048 15.9212 15.9212 k = 0.3274 0.5670 0.3084 ( 2934 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8809 -16.8809 -16.8391 -16.8391 1.3928 1.3928 1.4700 1.4700 6.0956 6.0956 6.2484 6.2484 6.5115 6.5115 7.9244 7.9244 8.1422 8.1422 8.1857 8.1857 8.5979 8.5979 8.8561 8.8561 8.8819 8.8819 8.9485 8.9485 9.2179 9.2179 9.4668 9.4668 9.5343 9.5343 10.4879 10.4879 10.6465 10.6465 10.6999 10.6999 13.5635 13.5635 14.0498 14.0498 14.2197 14.2197 15.8517 15.8517 k = 0.3214 0.5567 0.3084 ( 2946 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8810 -16.8810 -16.8389 -16.8389 1.3853 1.3853 1.4729 1.4729 6.0831 6.0831 6.2255 6.2255 6.5535 6.5535 7.9249 7.9249 8.1318 8.1318 8.1948 8.1948 8.6022 8.6022 8.8530 8.8530 8.8797 8.8797 8.9512 8.9512 9.2191 9.2191 9.4663 9.4663 9.5358 9.5358 10.4871 10.4871 10.6269 10.6269 10.7274 10.7274 13.5509 13.5509 14.0315 14.0315 14.2621 14.2621 15.7546 15.7546 k = 0.3155 0.5464 0.3084 ( 2946 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8811 -16.8811 -16.8385 -16.8385 1.3746 1.3746 1.4755 1.4755 6.0653 6.0653 6.1984 6.1984 6.6095 6.6095 7.9258 7.9258 8.1191 8.1191 8.2052 8.2052 8.6098 8.6098 8.8481 8.8481 8.8761 8.8761 8.9560 8.9560 9.2213 9.2213 9.4657 9.4657 9.5384 9.5384 10.4869 10.4869 10.6120 10.6120 10.7541 10.7541 13.5345 13.5345 14.0063 14.0063 14.3229 14.3229 15.6520 15.6520 k = 0.3095 0.5361 0.3084 ( 2942 PWs) bands (ev): -50.1731 -50.1731 -24.5272 -24.5272 -16.8811 -16.8811 -16.8379 -16.8379 1.3619 1.3619 1.4767 1.4767 6.0438 6.0438 6.1730 6.1730 6.6724 6.6724 7.9273 7.9273 8.1053 8.1053 8.2155 8.2155 8.6203 8.6203 8.8413 8.8413 8.8713 8.8713 8.9624 8.9624 9.2244 9.2244 9.4648 9.4648 9.5418 9.5418 10.4879 10.4879 10.6018 10.6018 10.7792 10.7792 13.5170 13.5170 13.9786 13.9786 14.3950 14.3950 15.5461 15.5461 k = 0.3036 0.5258 0.3084 ( 2942 PWs) bands (ev): -50.1732 -50.1732 -24.5271 -24.5271 -16.8812 -16.8812 -16.8372 -16.8372 1.3476 1.3476 1.4756 1.4756 6.0203 6.0203 6.1510 6.1510 6.7387 6.7387 7.9294 7.9294 8.0908 8.0908 8.2252 8.2252 8.6337 8.6337 8.8331 8.8331 8.8658 8.8658 8.9704 8.9704 9.2284 9.2284 9.4638 9.4638 9.5458 9.5458 10.4905 10.4905 10.5960 10.5960 10.8021 10.8021 13.5006 13.5006 13.9503 13.9503 14.4740 14.4740 15.4382 15.4382 k = 0.2976 0.5155 0.3084 ( 2942 PWs) bands (ev): -50.1732 -50.1732 -24.5270 -24.5270 -16.8811 -16.8811 -16.8365 -16.8365 1.3320 1.3320 1.4716 1.4716 5.9969 5.9969 6.1324 6.1324 6.8063 6.8063 7.9321 7.9321 8.0757 8.0757 8.2340 8.2340 8.6495 8.6495 8.8236 8.8236 8.8602 8.8602 8.9794 8.9794 9.2334 9.2334 9.4629 9.4629 9.5500 9.5500 10.4953 10.4953 10.5941 10.5941 10.8226 10.8226 13.4866 13.4866 13.9223 13.9223 14.5571 14.5571 15.3298 15.3298 k = 0.2917 0.5052 0.3084 ( 2932 PWs) bands (ev): -50.1732 -50.1732 -24.5267 -24.5267 -16.8810 -16.8810 -16.8356 -16.8356 1.3155 1.3155 1.4645 1.4645 5.9754 5.9754 6.1167 6.1167 6.8742 6.8742 7.9356 7.9356 8.0602 8.0602 8.2421 8.2421 8.6670 8.6670 8.8133 8.8133 8.8552 8.8552 8.9895 8.9895 9.2393 9.2393 9.4624 9.4624 9.5544 9.5544 10.5024 10.5024 10.5958 10.5958 10.8404 10.8404 13.4757 13.4757 13.8951 13.8951 14.6417 14.6417 15.2226 15.2226 k = 0.2857 0.4949 0.3084 ( 2928 PWs) bands (ev): -50.1732 -50.1732 -24.5264 -24.5264 -16.8807 -16.8807 -16.8346 -16.8346 1.2980 1.2980 1.4541 1.4541 5.9571 5.9571 6.1033 6.1033 6.9414 6.9414 7.9397 7.9397 8.0444 8.0444 8.2494 8.2494 8.6849 8.6849 8.8022 8.8022 8.8520 8.8520 9.0005 9.0005 9.2462 9.2462 9.4624 9.4624 9.5588 9.5588 10.5121 10.5121 10.6007 10.6007 10.8554 10.8554 13.4686 13.4686 13.8690 13.8690 14.7238 14.7238 15.1200 15.1200 k = 0.2798 0.4846 0.3084 ( 2936 PWs) bands (ev): -50.1733 -50.1733 -24.5263 -24.5263 -16.8805 -16.8805 -16.8337 -16.8337 1.2796 1.2796 1.4401 1.4401 5.9428 5.9428 6.0918 6.0918 7.0073 7.0073 7.9442 7.9442 8.0284 8.0284 8.2559 8.2559 8.7011 8.7011 8.7908 8.7908 8.8524 8.8524 9.0121 9.0121 9.2537 9.2537 9.4632 9.4632 9.5630 9.5630 10.5243 10.5243 10.6083 10.6083 10.8675 10.8675 13.4656 13.4656 13.8441 13.8441 14.7916 14.7916 15.0332 15.0332 k = 0.2738 0.4743 0.3084 ( 2942 PWs) bands (ev): -50.1733 -50.1733 -24.5261 -24.5261 -16.8802 -16.8802 -16.8327 -16.8327 1.2604 1.2604 1.4226 1.4226 5.9332 5.9332 6.0820 6.0820 7.0714 7.0714 7.9487 7.9487 8.0128 8.0128 8.2619 8.2619 8.7130 8.7130 8.7792 8.7792 8.8590 8.8590 9.0245 9.0245 9.2620 9.2620 9.4651 9.4651 9.5671 9.5671 10.5390 10.5390 10.6184 10.6184 10.8769 10.8769 13.4668 13.4668 13.8207 13.8207 14.8015 14.8015 15.0052 15.0052 k = 0.2679 0.4639 0.3084 ( 2930 PWs) bands (ev): -50.1734 -50.1734 -24.5257 -24.5257 -16.8795 -16.8795 -16.8315 -16.8315 1.2405 1.2405 1.4015 1.4015 5.9285 5.9285 6.0739 6.0739 7.1332 7.1332 7.9518 7.9518 7.9991 7.9991 8.2675 8.2675 8.7187 8.7187 8.7676 8.7676 8.8737 8.8737 9.0377 9.0377 9.2708 9.2708 9.4685 9.4685 9.5712 9.5712 10.5558 10.5558 10.6311 10.6311 10.8836 10.8836 13.4720 13.4720 13.7988 13.7988 14.7338 14.7338 15.0551 15.0551 k = 0.2619 0.4536 0.3084 ( 2922 PWs) bands (ev): -50.1734 -50.1734 -24.5252 -24.5252 -16.8788 -16.8788 -16.8304 -16.8304 1.2197 1.2197 1.3769 1.3769 5.9288 5.9288 6.0675 6.0675 7.1922 7.1922 7.9499 7.9499 7.9908 7.9908 8.2729 8.2729 8.7183 8.7183 8.7559 8.7559 8.8963 8.8963 9.0516 9.0516 9.2798 9.2798 9.4737 9.4737 9.5754 9.5754 10.5742 10.5742 10.6460 10.6460 10.8877 10.8877 13.4813 13.4813 13.7787 13.7787 14.6416 14.6416 15.1290 15.1290 k = 0.2560 0.4433 0.3084 ( 2922 PWs) bands (ev): -50.1735 -50.1735 -24.5249 -24.5249 -16.8780 -16.8780 -16.8292 -16.8292 1.1982 1.1982 1.3490 1.3490 5.9342 5.9342 6.0628 6.0628 7.2479 7.2479 7.9396 7.9396 7.9911 7.9911 8.2780 8.2780 8.7134 8.7134 8.7441 8.7441 8.9247 8.9247 9.0663 9.0663 9.2887 9.2887 9.4809 9.4809 9.5799 9.5799 10.5937 10.5937 10.6632 10.6632 10.8895 10.8895 13.4941 13.4941 13.7606 13.7606 14.5455 14.5455 15.2053 15.2053 k = 0.2500 0.4330 0.3084 ( 2922 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8770 -16.8770 -16.8281 -16.8281 1.1759 1.1759 1.3178 1.3178 5.9444 5.9444 6.0600 6.0600 7.3002 7.3002 7.9240 7.9240 7.9972 7.9972 8.2831 8.2831 8.7059 8.7059 8.7323 8.7323 8.9569 8.9569 9.0822 9.0822 9.2971 9.2971 9.4904 9.4904 9.5850 9.5850 10.6138 10.6138 10.6825 10.6825 10.8894 10.8894 13.5101 13.5101 13.7449 13.7449 14.4505 14.4505 15.2782 15.2782 k = 0.2440 0.4227 0.3084 ( 2914 PWs) bands (ev): -50.1736 -50.1736 -24.5240 -24.5240 -16.8759 -16.8759 -16.8269 -16.8269 1.1528 1.1528 1.2837 1.2837 5.9591 5.9591 6.0592 6.0592 7.3485 7.3485 7.9061 7.9061 8.0062 8.0062 8.2882 8.2882 8.6971 8.6971 8.7205 8.7205 8.9908 8.9908 9.0999 9.0999 9.3049 9.3049 9.5023 9.5023 9.5914 9.5914 10.6340 10.6340 10.7038 10.7038 10.8875 10.8875 13.5287 13.5287 13.7319 13.7319 14.3586 14.3586 15.3448 15.3448 k = 0.2381 0.4124 0.3084 ( 2904 PWs) bands (ev): -50.1736 -50.1736 -24.5234 -24.5234 -16.8745 -16.8745 -16.8257 -16.8257 1.1288 1.1288 1.2470 1.2470 5.9779 5.9779 6.0608 6.0608 7.3928 7.3928 7.8871 7.8871 8.0167 8.0167 8.2934 8.2934 8.6878 8.6878 8.7089 8.7089 9.0242 9.0242 9.1202 9.1202 9.3119 9.3119 9.5164 9.5164 9.5997 9.5997 10.6538 10.6538 10.7266 10.7266 10.8845 10.8845 13.5490 13.5490 13.7223 13.7223 14.2709 14.2709 15.4030 15.4030 k = 0.2321 0.4021 0.3084 ( 2912 PWs) bands (ev): -50.1737 -50.1737 -24.5230 -24.5230 -16.8731 -16.8731 -16.8246 -16.8246 1.1036 1.1036 1.2081 1.2081 6.0000 6.0000 6.0652 6.0652 7.4328 7.4328 7.8675 7.8675 8.0282 8.0282 8.2987 8.2987 8.6781 8.6781 8.6978 8.6978 9.0549 9.0549 9.1442 9.1442 9.3180 9.3180 9.5320 9.5320 9.6107 9.6107 10.6726 10.6726 10.7504 10.7504 10.8809 10.8809 13.5696 13.5696 13.7171 13.7171 14.1883 14.1883 15.4517 15.4517 k = 0.2262 0.3918 0.3084 ( 2908 PWs) bands (ev): -50.1738 -50.1738 -24.5225 -24.5225 -16.8715 -16.8715 -16.8234 -16.8234 1.0770 1.0770 1.1678 1.1678 6.0239 6.0239 6.0735 6.0735 7.4684 7.4684 7.8478 7.8478 8.0406 8.0406 8.3043 8.3043 8.6683 8.6683 8.6875 8.6875 9.0812 9.0812 9.1728 9.1728 9.3233 9.3233 9.5487 9.5487 9.6257 9.6257 10.6901 10.6901 10.7744 10.7744 10.8776 10.8776 13.5891 13.5891 13.7175 13.7175 14.1117 14.1117 15.4899 15.4899 k = 0.2202 0.3815 0.3084 ( 2908 PWs) bands (ev): -50.1739 -50.1739 -24.5219 -24.5219 -16.8697 -16.8697 -16.8222 -16.8222 1.0481 1.0481 1.1270 1.1270 6.0466 6.0466 6.0885 6.0885 7.4995 7.4995 7.8282 7.8282 8.0537 8.0537 8.3100 8.3100 8.6583 8.6583 8.6783 8.6783 9.1029 9.1029 9.2051 9.2051 9.3280 9.3280 9.5661 9.5661 9.6454 9.6454 10.7058 10.7058 10.7972 10.7972 10.8759 10.8759 13.6053 13.6053 13.7252 13.7252 14.0419 14.0419 15.5173 15.5173 k = 0.2143 0.3712 0.3084 ( 2904 PWs) bands (ev): -50.1740 -50.1740 -24.5213 -24.5213 -16.8678 -16.8678 -16.8210 -16.8210 1.0158 1.0158 1.0872 1.0872 6.0651 6.0651 6.1127 6.1127 7.5263 7.5263 7.8091 7.8091 8.0674 8.0674 8.3159 8.3159 8.6484 8.6484 8.6704 8.6704 9.1211 9.1211 9.2387 9.2387 9.3325 9.3325 9.5846 9.5846 9.6700 9.6700 10.7188 10.7188 10.8172 10.8172 10.8780 10.8780 13.6171 13.6171 13.7404 13.7404 13.9800 13.9800 15.5342 15.5342 k = 0.2083 0.3608 0.3084 ( 2914 PWs) bands (ev): -50.1741 -50.1741 -24.5208 -24.5208 -16.8660 -16.8660 -16.8199 -16.8199 0.9787 0.9787 1.0503 1.0503 6.0807 6.0807 6.1442 6.1442 7.5486 7.5486 7.7905 7.7905 8.0815 8.0815 8.3220 8.3220 8.6386 8.6386 8.6638 8.6638 9.1367 9.1367 9.2708 9.2708 9.3373 9.3373 9.6053 9.6053 9.6989 9.6989 10.7282 10.7282 10.8321 10.8321 10.8864 10.8864 13.6247 13.6247 13.7617 13.7617 13.9279 13.9279 15.5410 15.5410 k = 0.2024 0.3505 0.3084 ( 2918 PWs) bands (ev): -50.1742 -50.1742 -24.5202 -24.5202 -16.8639 -16.8639 -16.8187 -16.8187 0.9364 0.9364 1.0169 1.0169 6.0964 6.0964 6.1795 6.1795 7.5668 7.5668 7.7730 7.7730 8.0959 8.0959 8.3282 8.3282 8.6291 8.6291 8.6584 8.6584 9.1505 9.1505 9.2978 9.2978 9.3443 9.3443 9.6298 9.6298 9.7316 9.7316 10.7334 10.7334 10.8421 10.8421 10.9012 10.9012 13.6292 13.6292 13.7845 13.7845 13.8893 13.8893 15.5385 15.5385 k = 0.1964 0.3402 0.3084 ( 2918 PWs) bands (ev): -50.1743 -50.1743 -24.5196 -24.5196 -16.8617 -16.8617 -16.8174 -16.8174 0.8897 0.8897 0.9864 0.9864 6.1135 6.1135 6.2168 6.2168 7.5809 7.5809 7.7569 7.7569 8.1105 8.1105 8.3346 8.3346 8.6203 8.6203 8.6543 8.6543 9.1627 9.1627 9.3156 9.3156 9.3564 9.3564 9.6591 9.6591 9.7673 9.7673 10.7344 10.7344 10.8500 10.8500 10.9192 10.9192 13.6309 13.6309 13.7990 13.7990 13.8741 13.8741 15.5272 15.5272 k = 0.1905 0.3299 0.3084 ( 2920 PWs) bands (ev): -50.1744 -50.1744 -24.5190 -24.5190 -16.8595 -16.8595 -16.8162 -16.8162 0.8402 0.8402 0.9578 0.9578 6.1324 6.1324 6.2549 6.2549 7.5913 7.5913 7.7426 7.7426 8.1252 8.1252 8.3410 8.3410 8.6123 8.6123 8.6515 8.6515 9.1737 9.1737 9.3243 9.3243 9.3728 9.3728 9.6937 9.6937 9.8055 9.8055 10.7316 10.7316 10.8575 10.8575 10.9379 10.9379 13.6293 13.6293 13.7977 13.7977 13.8903 13.8903 15.5075 15.5075 k = 0.1845 0.3196 0.3084 ( 2916 PWs) bands (ev): -50.1745 -50.1745 -24.5182 -24.5182 -16.8572 -16.8572 -16.8149 -16.8149 0.7887 0.7887 0.9304 0.9304 6.1535 6.1535 6.2927 6.2927 7.5982 7.5982 7.7304 7.7304 8.1397 8.1397 8.3475 8.3475 8.6053 8.6053 8.6497 8.6497 9.1834 9.1834 9.3283 9.3283 9.3893 9.3893 9.7335 9.7335 9.8459 9.8459 10.7262 10.7262 10.8647 10.8647 10.9560 10.9560 13.6245 13.6245 13.7951 13.7951 13.9233 13.9233 15.4796 15.4796 k = 0.1786 0.3093 0.3084 ( 2916 PWs) bands (ev): -50.1746 -50.1746 -24.5176 -24.5176 -16.8548 -16.8548 -16.8135 -16.8135 0.7361 0.7361 0.9037 0.9037 6.1768 6.1768 6.3296 6.3296 7.6021 7.6021 7.7207 7.7207 8.1538 8.1538 8.3540 8.3540 8.5996 8.5996 8.6492 8.6492 9.1919 9.1919 9.3304 9.3304 9.4036 9.4036 9.7776 9.7776 9.8879 9.8879 10.7191 10.7191 10.8711 10.8711 10.9729 10.9729 13.6174 13.6174 13.8000 13.8000 13.9636 13.9636 15.4436 15.4437 k = 0.1726 0.2990 0.3084 ( 2916 PWs) bands (ev): -50.1747 -50.1747 -24.5169 -24.5169 -16.8525 -16.8525 -16.8121 -16.8121 0.6828 0.6828 0.8774 0.8774 6.2024 6.2024 6.3646 6.3646 7.6032 7.6032 7.7138 7.7138 8.1673 8.1673 8.3606 8.3606 8.5951 8.5951 8.6497 8.6497 9.1990 9.1990 9.3314 9.3314 9.4156 9.4156 9.8249 9.8249 9.9314 9.9314 10.7109 10.7109 10.8764 10.8764 10.9887 10.9887 13.6098 13.6098 13.8125 13.8125 14.0087 14.0087 15.4003 15.4003 k = 0.1667 0.2887 0.3084 ( 2916 PWs) bands (ev): -50.1748 -50.1748 -24.5161 -24.5161 -16.8501 -16.8501 -16.8107 -16.8107 0.6293 0.6293 0.8516 0.8516 6.2303 6.2303 6.3972 6.3972 7.6020 7.6020 7.7100 7.7100 8.1800 8.1800 8.3671 8.3671 8.5920 8.5920 8.6513 8.6513 9.2049 9.2049 9.3318 9.3318 9.4258 9.4258 9.8742 9.8742 9.9760 9.9760 10.7023 10.7023 10.8804 10.8804 11.0035 11.0035 13.6030 13.6030 13.8309 13.8309 14.0583 14.0583 15.3508 15.3508 k = 0.1607 0.2784 0.3084 ( 2912 PWs) bands (ev): -50.1749 -50.1749 -24.5154 -24.5154 -16.8478 -16.8478 -16.8091 -16.8091 0.5759 0.5759 0.8262 0.8262 6.2605 6.2605 6.4265 6.4265 7.5988 7.5988 7.7097 7.7097 8.1916 8.1916 8.3737 8.3737 8.5904 8.5904 8.6540 8.6540 9.2094 9.2094 9.3318 9.3318 9.4344 9.4344 9.9245 9.9245 10.0215 10.0215 10.6934 10.6934 10.8833 10.8833 11.0177 11.0177 13.5976 13.5976 13.8535 13.8535 14.1128 14.1128 15.2975 15.2975 k = 0.1548 0.2681 0.3084 ( 2920 PWs) bands (ev): -50.1751 -50.1751 -24.5147 -24.5147 -16.8456 -16.8456 -16.8075 -16.8075 0.5227 0.5227 0.8012 0.8012 6.2930 6.2930 6.4523 6.4523 7.5939 7.5939 7.7130 7.7130 8.2018 8.2018 8.3804 8.3804 8.5903 8.5903 8.6578 8.6578 9.2126 9.2126 9.3314 9.3314 9.4420 9.4420 9.9746 9.9746 10.0673 10.0673 10.6846 10.6846 10.8854 10.8854 11.0319 11.0319 13.5935 13.5935 13.8784 13.8784 14.1727 14.1727 15.2428 15.2428 k = 0.1488 0.2577 0.3084 ( 2920 PWs) bands (ev): -50.1752 -50.1752 -24.5140 -24.5140 -16.8434 -16.8434 -16.8058 -16.8058 0.4700 0.4700 0.7766 0.7766 6.3276 6.3276 6.4739 6.4739 7.5875 7.5875 7.7203 7.7203 8.2105 8.2105 8.3872 8.3872 8.5917 8.5917 8.6627 8.6627 9.2146 9.2146 9.3308 9.3308 9.4487 9.4487 10.0236 10.0236 10.1129 10.1129 10.6759 10.6759 10.8877 10.8877 11.0470 11.0470 13.5902 13.5902 13.9041 13.9041 14.2384 14.2384 15.1894 15.1894 k = 0.1429 0.2474 0.3084 ( 2936 PWs) bands (ev): -50.1753 -50.1753 -24.5134 -24.5134 -16.8415 -16.8415 -16.8040 -16.8040 0.4181 0.4181 0.7525 0.7525 6.3644 6.3644 6.4913 6.4913 7.5797 7.5797 7.7314 7.7314 8.2175 8.2175 8.3941 8.3941 8.5944 8.5944 8.6685 8.6685 9.2154 9.2154 9.3298 9.3298 9.4548 9.4548 10.0704 10.0704 10.1573 10.1573 10.6670 10.6670 10.8912 10.8912 11.0639 11.0639 13.5871 13.5871 13.9284 13.9284 14.3103 14.3103 15.1401 15.1401 k = 0.1369 0.2371 0.3084 ( 2924 PWs) bands (ev): -50.1754 -50.1754 -24.5126 -24.5126 -16.8395 -16.8395 -16.8020 -16.8020 0.3671 0.3671 0.7289 0.7289 6.4030 6.4030 6.5045 6.5045 7.5707 7.5707 7.7465 7.7465 8.2229 8.2229 8.4011 8.4011 8.5987 8.5987 8.6755 8.6755 9.2154 9.2154 9.3288 9.3288 9.4603 9.4603 10.1144 10.1144 10.1997 10.1997 10.6578 10.6578 10.8978 10.8978 11.0838 11.0838 13.5837 13.5837 13.9490 13.9490 14.3885 14.3885 15.0974 15.0974 k = 0.1310 0.2268 0.3084 ( 2924 PWs) bands (ev): -50.1755 -50.1755 -24.5119 -24.5119 -16.8377 -16.8377 -16.7999 -16.7999 0.3172 0.3172 0.7058 0.7058 6.4431 6.4431 6.5139 6.5139 7.5607 7.5607 7.7650 7.7650 8.2267 8.2267 8.4078 8.4078 8.6041 8.6041 8.6834 8.6834 9.2144 9.2144 9.3275 9.3275 9.4653 9.4653 10.1545 10.1545 10.2388 10.2388 10.6479 10.6479 10.9089 10.9089 11.1078 11.1078 13.5794 13.5794 13.9633 13.9633 14.4731 14.4731 15.0642 15.0642 k = 0.1250 0.2165 0.3084 ( 2924 PWs) bands (ev): -50.1756 -50.1756 -24.5112 -24.5112 -16.8361 -16.8361 -16.7976 -16.7976 0.2686 0.2686 0.6833 0.6833 6.4826 6.4826 6.5217 6.5217 7.5498 7.5498 7.7866 7.7866 8.2289 8.2289 8.4140 8.4140 8.6107 8.6107 8.6924 8.6924 9.2129 9.2129 9.3260 9.3260 9.4696 9.4696 10.1900 10.1900 10.2736 10.2736 10.6367 10.6367 10.9266 10.9266 11.1370 11.1370 13.5740 13.5740 13.9690 13.9690 14.5638 14.5638 15.0424 15.0424 k = 0.1190 0.2062 0.3084 ( 2928 PWs) bands (ev): -50.1757 -50.1757 -24.5105 -24.5105 -16.8346 -16.8346 -16.7954 -16.7954 0.2213 0.2213 0.6614 0.6614 6.5076 6.5076 6.5422 6.5422 7.5383 7.5383 7.8105 7.8105 8.2299 8.2299 8.4195 8.4195 8.6182 8.6182 8.7022 8.7022 9.2110 9.2110 9.3243 9.3243 9.4734 9.4734 10.2202 10.2202 10.3030 10.3030 10.6241 10.6241 10.9524 10.9524 11.1725 11.1725 13.5672 13.5672 13.9640 13.9640 14.6598 14.6598 15.0327 15.0327 k = 0.1131 0.1959 0.3084 ( 2926 PWs) bands (ev): -50.1758 -50.1758 -24.5098 -24.5098 -16.8333 -16.8333 -16.7930 -16.7930 0.1756 0.1756 0.6403 0.6403 6.5101 6.5101 6.5836 6.5836 7.5264 7.5264 7.8363 7.8363 8.2298 8.2298 8.4239 8.4239 8.6266 8.6266 8.7129 8.7129 9.2089 9.2089 9.3224 9.3224 9.4766 9.4766 10.2448 10.2448 10.3265 10.3265 10.6101 10.6101 10.9874 10.9874 11.2148 11.2148 13.5590 13.5590 13.9476 13.9476 14.7599 14.7599 15.0335 15.0335 k = 0.1071 0.1856 0.3084 ( 2922 PWs) bands (ev): -50.1759 -50.1759 -24.5091 -24.5091 -16.8321 -16.8321 -16.7905 -16.7905 0.1315 0.1315 0.6199 0.6199 6.5061 6.5061 6.6302 6.6302 7.5143 7.5143 7.8632 7.8632 8.2289 8.2289 8.4269 8.4269 8.6357 8.6357 8.7243 8.7243 9.2069 9.2069 9.3203 9.3203 9.4791 9.4791 10.2636 10.2636 10.3439 10.3439 10.5947 10.5947 11.0319 11.0319 11.2643 11.2643 13.5493 13.5493 13.9202 13.9202 14.8608 14.8608 15.0394 15.0394 k = 0.1012 0.1753 0.3084 ( 2930 PWs) bands (ev): -50.1761 -50.1761 -24.5085 -24.5085 -16.8311 -16.8311 -16.7881 -16.7881 0.0892 0.0892 0.6003 0.6003 6.4991 6.4991 6.6789 6.6789 7.5019 7.5019 7.8905 7.8905 8.2273 8.2273 8.4281 8.4281 8.6454 8.6454 8.7364 8.7364 9.2052 9.2052 9.3179 9.3179 9.4809 9.4809 10.2772 10.2772 10.3552 10.3552 10.5784 10.5784 11.0859 11.0859 11.3206 11.3206 13.5380 13.5380 13.8832 13.8832 14.9495 14.9495 15.0483 15.0483 k = 0.0952 0.1650 0.3084 ( 2916 PWs) bands (ev): -50.1761 -50.1761 -24.5078 -24.5078 -16.8300 -16.8300 -16.7855 -16.7855 0.0488 0.0488 0.5816 0.5816 6.4901 6.4901 6.7290 6.7290 7.4897 7.4897 7.9179 7.9179 8.2254 8.2254 8.4273 8.4273 8.6555 8.6555 8.7492 8.7492 9.2041 9.2041 9.3154 9.3154 9.4820 9.4820 10.2859 10.2859 10.3610 10.3610 10.5617 10.5617 11.1486 11.1486 11.3834 11.3834 13.5254 13.5254 13.8385 13.8385 14.9721 14.9721 15.0991 15.0991 k = 0.0893 0.1546 0.3084 ( 2912 PWs) bands (ev): -50.1762 -50.1762 -24.5071 -24.5071 -16.8292 -16.8292 -16.7830 -16.7830 0.0103 0.0103 0.5637 0.5637 6.4797 6.4797 6.7802 6.7802 7.4775 7.4775 7.9446 7.9446 8.2233 8.2233 8.4242 8.4242 8.6660 8.6660 8.7623 8.7623 9.2037 9.2037 9.3127 9.3127 9.4823 9.4823 10.2906 10.2906 10.3621 10.3621 10.5449 10.5449 11.2194 11.2194 11.4519 11.4519 13.5112 13.5112 13.7882 13.7882 14.9370 14.9370 15.1763 15.1763 k = 0.0833 0.1443 0.3084 ( 2904 PWs) bands (ev): -50.1763 -50.1763 -24.5065 -24.5065 -16.8285 -16.8285 -16.7805 -16.7805 -0.0260 -0.0260 0.5468 0.5468 6.4683 6.4683 6.8321 6.8321 7.4658 7.4658 7.9702 7.9702 8.2212 8.2212 8.4187 8.4187 8.6767 8.6767 8.7757 8.7757 9.2041 9.2041 9.3099 9.3099 9.4818 9.4818 10.2917 10.2917 10.3593 10.3593 10.5285 10.5285 11.2972 11.2972 11.5254 11.5254 13.4955 13.4955 13.7341 13.7341 14.8831 14.8831 15.2396 15.2396 k = 0.0774 0.1340 0.3084 ( 2908 PWs) bands (ev): -50.1764 -50.1764 -24.5060 -24.5060 -16.8279 -16.8279 -16.7781 -16.7781 -0.0603 -0.0603 0.5309 0.5309 6.4562 6.4562 6.8844 6.8844 7.4543 7.4543 7.9943 7.9943 8.2192 8.2192 8.4107 8.4107 8.6874 8.6874 8.7892 8.7892 9.2055 9.2055 9.3069 9.3069 9.4805 9.4805 10.2901 10.2901 10.3533 10.3533 10.5128 10.5128 11.3812 11.3812 11.6028 11.6028 13.4782 13.4782 13.6778 13.6778 14.8201 14.8201 15.2817 15.2817 k = 0.0714 0.1237 0.3084 ( 2908 PWs) bands (ev): -50.1765 -50.1765 -24.5054 -24.5054 -16.8273 -16.8273 -16.7758 -16.7758 -0.0923 -0.0923 0.5159 0.5159 6.4439 6.4439 6.9368 6.9368 7.4434 7.4434 8.0166 8.0166 8.2175 8.2175 8.4001 8.4001 8.6980 8.6980 8.8027 8.8027 9.2078 9.2078 9.3038 9.3038 9.4784 9.4784 10.2861 10.2861 10.3451 10.3451 10.4982 10.4982 11.4705 11.4705 11.6835 11.6835 13.4589 13.4589 13.6205 13.6205 14.7515 14.7515 15.2994 15.2994 k = 0.0655 0.1134 0.3084 ( 2902 PWs) bands (ev): -50.1766 -50.1766 -24.5049 -24.5049 -16.8268 -16.8268 -16.7736 -16.7736 -0.1220 -0.1220 0.5021 0.5021 6.4317 6.4317 6.9889 6.9889 7.4332 7.4332 8.0367 8.0367 8.2162 8.2162 8.3873 8.3873 8.7084 8.7084 8.8161 8.8161 9.2112 9.2112 9.3007 9.3007 9.4756 9.4756 10.2804 10.2804 10.3354 10.3354 10.4848 10.4848 11.5643 11.5643 11.7666 11.7666 13.4373 13.4373 13.5634 13.5634 14.6792 14.6792 15.2898 15.2898 k = 0.0595 0.1031 0.3084 ( 2906 PWs) bands (ev): -50.1766 -50.1766 -24.5045 -24.5045 -16.8265 -16.8265 -16.7716 -16.7716 -0.1493 -0.1493 0.4893 0.4893 6.4198 6.4198 7.0403 7.0403 7.4236 7.4236 8.0545 8.0545 8.2153 8.2153 8.3723 8.3723 8.7184 8.7184 8.8290 8.8290 9.2155 9.2155 9.2976 9.2976 9.4721 9.4721 10.2734 10.2734 10.3247 10.3247 10.4727 10.4727 11.6617 11.6617 11.8512 11.8512 13.4127 13.4127 13.5075 13.5075 14.6049 14.6049 15.2543 15.2543 k = 0.0536 0.0928 0.3084 ( 2902 PWs) bands (ev): -50.1767 -50.1767 -24.5040 -24.5040 -16.8261 -16.8261 -16.7696 -16.7696 -0.1742 -0.1742 0.4777 0.4777 6.4085 6.4085 7.0906 7.0906 7.4149 7.4149 8.0699 8.0699 8.2150 8.2150 8.3557 8.3557 8.7279 8.7279 8.8415 8.8415 9.2207 9.2207 9.2946 9.2946 9.4679 9.4679 10.2655 10.2655 10.3136 10.3136 10.4620 10.4620 11.7619 11.7619 11.9365 11.9365 13.3840 13.3840 13.4539 13.4539 14.5300 14.5300 15.1993 15.1993 k = 0.0476 0.0825 0.3084 ( 2902 PWs) bands (ev): -50.1768 -50.1768 -24.5037 -24.5037 -16.8258 -16.8258 -16.7679 -16.7679 -0.1966 -0.1966 0.4672 0.4672 6.3979 6.3979 7.1389 7.1389 7.4071 7.4071 8.0827 8.0827 8.2149 8.2149 8.3379 8.3379 8.7368 8.7368 8.8532 8.8532 9.2265 9.2265 9.2917 9.2917 9.4633 9.4633 10.2573 10.2573 10.3025 10.3025 10.4527 10.4527 11.8640 11.8640 12.0216 12.0216 13.3498 13.3498 13.4039 13.4039 14.4562 14.4562 15.1326 15.1326 k = 0.0417 0.0722 0.3084 ( 2896 PWs) bands (ev): -50.1768 -50.1768 -24.5033 -24.5033 -16.8255 -16.8255 -16.7662 -16.7662 -0.2165 -0.2165 0.4578 0.4578 6.3881 6.3881 7.1848 7.1848 7.4004 7.4004 8.0930 8.0930 8.2149 8.2149 8.3198 8.3198 8.7450 8.7450 8.8641 8.8641 9.2327 9.2327 9.2892 9.2892 9.4583 9.4583 10.2490 10.2490 10.2919 10.2919 10.4448 10.4448 11.9668 11.9668 12.1053 12.1053 13.3091 13.3091 13.3582 13.3582 14.3852 14.3852 15.0612 15.0612 k = 0.0357 0.0619 0.3084 ( 2892 PWs) bands (ev): -50.1768 -50.1768 -24.5030 -24.5030 -16.8253 -16.8253 -16.7648 -16.7648 -0.2338 -0.2338 0.4497 0.4497 6.3794 6.3794 7.2272 7.2272 7.3949 7.3949 8.1012 8.1012 8.2142 8.2142 8.3026 8.3026 8.7523 8.7523 8.8739 8.8739 9.2390 9.2390 9.2869 9.2869 9.4532 9.4532 10.2411 10.2411 10.2820 10.2820 10.4381 10.4381 12.0690 12.0690 12.1866 12.1866 13.2637 13.2637 13.3148 13.3148 14.3189 14.3189 14.9906 14.9906 k = 0.0298 0.0515 0.3084 ( 2890 PWs) bands (ev): -50.1769 -50.1769 -24.5027 -24.5027 -16.8251 -16.8251 -16.7636 -16.7636 -0.2485 -0.2485 0.4428 0.4428 6.3719 6.3719 7.2651 7.2651 7.3910 7.3910 8.1073 8.1073 8.2121 8.2121 8.2875 8.2875 8.7587 8.7587 8.8825 8.8825 9.2450 9.2450 9.2852 9.2852 9.4479 9.4479 10.2339 10.2339 10.2732 10.2732 10.4325 10.4325 12.1689 12.1689 12.2637 12.2637 13.2166 13.2166 13.2712 13.2712 14.2593 14.2593 14.9246 14.9246 k = 0.0238 0.0412 0.3084 ( 2898 PWs) bands (ev): -50.1769 -50.1769 -24.5026 -24.5026 -16.8250 -16.8250 -16.7626 -16.7626 -0.2606 -0.2606 0.4371 0.4371 6.3656 6.3656 7.2967 7.2967 7.3892 7.3892 8.1117 8.1117 8.2078 8.2078 8.2760 8.2760 8.7640 8.7640 8.8898 8.8898 9.2504 9.2504 9.2840 9.2840 9.4430 9.4430 10.2276 10.2276 10.2657 10.2657 10.4281 10.4281 12.2639 12.2639 12.3348 12.3348 13.1701 13.1701 13.2267 13.2267 14.2081 14.2081 14.8665 14.8665 k = 0.0179 0.0309 0.3084 ( 2902 PWs) bands (ev): -50.1769 -50.1769 -24.5024 -24.5024 -16.8249 -16.8249 -16.7619 -16.7619 -0.2701 -0.2701 0.4327 0.4327 6.3606 6.3606 7.3206 7.3206 7.3902 7.3902 8.1148 8.1148 8.2016 8.2016 8.2687 8.2687 8.7683 8.7683 8.8956 8.8956 9.2546 9.2546 9.2834 9.2834 9.4387 9.4387 10.2225 10.2225 10.2597 10.2597 10.4247 10.4247 12.3503 12.3503 12.3974 12.3974 13.1260 13.1260 13.1830 13.1830 14.1669 14.1669 14.8187 14.8187 k = 0.0119 0.0206 0.3084 ( 2902 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8249 -16.8249 -16.7613 -16.7613 -0.2768 -0.2768 0.4295 0.4295 6.3570 6.3570 7.3356 7.3356 7.3940 7.3940 8.1169 8.1169 8.1950 8.1950 8.2648 8.2648 8.7714 8.7714 8.8999 8.8999 9.2576 9.2576 9.2834 9.2834 9.4353 9.4353 10.2187 10.2187 10.2552 10.2552 10.4223 10.4223 12.4218 12.4218 12.4485 12.4485 13.0869 13.0869 13.1450 13.1450 14.1368 14.1368 14.7830 14.7830 k = 0.0060 0.0103 0.3084 ( 2902 PWs) bands (ev): -50.1770 -50.1770 -24.5023 -24.5023 -16.8248 -16.8248 -16.7610 -16.7610 -0.2809 -0.2809 0.4276 0.4276 6.3548 6.3548 7.3427 7.3427 7.3986 7.3986 8.1180 8.1180 8.1901 8.1901 8.2631 8.2631 8.7732 8.7732 8.9024 8.9024 9.2593 9.2593 9.2837 9.2837 9.4331 9.4331 10.2164 10.2164 10.2526 10.2526 10.4209 10.4209 12.4679 12.4679 12.4857 12.4857 13.0579 13.0579 13.1185 13.1185 14.1185 14.1185 14.7611 14.7611 k = 0.0000 0.0000 0.3084 ( 2894 PWs) bands (ev): -50.1770 -50.1770 -24.5022 -24.5022 -16.8248 -16.8248 -16.7608 -16.7608 -0.2822 -0.2822 0.4270 0.4270 6.3541 6.3541 7.3448 7.3448 7.4006 7.4006 8.1184 8.1184 8.1883 8.1883 8.2626 8.2626 8.7739 8.7739 8.9033 8.9033 9.2599 9.2599 9.2839 9.2839 9.4323 9.4323 10.2156 10.2156 10.2517 10.2517 10.4204 10.4204 12.4825 12.4825 12.5010 12.5010 13.0468 13.0468 13.1091 13.1091 14.1124 14.1124 14.7536 14.7536 k = 0.5000 0.2887 0.3084 ( 2920 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8109 -16.8109 0.9953 0.9953 1.5886 1.5886 5.1057 5.1057 6.3167 6.3167 7.8516 7.8516 8.0156 8.0156 8.0398 8.0398 8.1884 8.1884 8.7072 8.7072 8.7668 8.7668 8.8999 8.8999 9.1334 9.1334 9.5156 9.5156 9.5395 9.5395 9.6366 9.6366 9.7037 9.7037 11.5935 11.5935 11.6996 11.6996 12.3720 12.3720 14.3518 14.3518 14.6016 14.6016 15.1560 15.1560 k = 0.5000 0.2887 0.2965 ( 2916 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8109 -16.8109 0.9956 0.9956 1.5878 1.5878 5.1071 5.1071 6.3180 6.3180 7.8504 7.8504 8.0041 8.0041 8.0514 8.0514 8.1885 8.1885 8.7072 8.7072 8.7668 8.7668 8.8991 8.8991 9.1335 9.1335 9.5148 9.5148 9.5395 9.5395 9.6379 9.6379 9.7041 9.7041 11.5821 11.5821 11.6941 11.6941 12.3847 12.3847 14.3497 14.3497 14.6030 14.6030 15.1587 15.1587 k = 0.5000 0.2887 0.2846 ( 2922 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8937 -16.8937 -16.8109 -16.8109 0.9967 0.9967 1.5854 1.5854 5.1112 5.1112 6.3217 6.3217 7.8467 7.8467 7.9857 7.9857 8.0702 8.0702 8.1889 8.1889 8.7071 8.7071 8.7669 8.7669 8.8967 8.8967 9.1338 9.1338 9.5124 9.5124 9.5392 9.5392 9.6413 9.6413 9.7055 9.7055 11.5479 11.5479 11.6800 11.6800 12.4200 12.4200 14.3437 14.3437 14.6073 14.6073 15.1664 15.1664 k = 0.5000 0.2887 0.2728 ( 2914 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8108 -16.8108 0.9984 0.9984 1.5813 1.5813 5.1181 5.1181 6.3280 6.3280 7.8406 7.8406 7.9666 7.9666 8.0898 8.0898 8.1894 8.1894 8.7071 8.7071 8.7672 8.7672 8.8927 8.8927 9.1344 9.1344 9.5089 9.5089 9.5386 9.5386 9.6465 9.6465 9.7083 9.7083 11.4938 11.4938 11.6611 11.6611 12.4713 12.4713 14.3344 14.3344 14.6144 14.6144 15.1786 15.1786 k = 0.5000 0.2887 0.2609 ( 2918 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8109 -16.8109 1.0009 1.0009 1.5757 1.5757 5.1275 5.1275 6.3367 6.3367 7.8324 7.8324 7.9476 7.9476 8.1093 8.1093 8.1900 8.1900 8.7071 8.7071 8.7676 8.7676 8.8873 8.8873 9.1351 9.1351 9.5044 9.5044 9.5375 9.5375 9.6526 9.6526 9.7129 9.7129 11.4253 11.4253 11.6386 11.6386 12.5320 12.5320 14.3228 14.3228 14.6244 14.6244 15.1941 15.1941 k = 0.5000 0.2887 0.2491 ( 2914 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8108 -16.8108 1.0041 1.0041 1.5686 1.5686 5.1395 5.1395 6.3478 6.3478 7.8225 7.8225 7.9289 7.9289 8.1279 8.1279 8.1908 8.1908 8.7071 8.7071 8.7683 8.7683 8.8804 8.8804 9.1360 9.1360 9.4994 9.4994 9.5358 9.5358 9.6589 9.6589 9.7199 9.7199 11.3476 11.3476 11.6124 11.6124 12.5971 12.5971 14.3103 14.3103 14.6370 14.6370 15.2120 15.2120 k = 0.5000 0.2887 0.2372 ( 2914 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8108 -16.8108 1.0080 1.0080 1.5600 1.5600 5.1538 5.1538 6.3613 6.3613 7.8110 7.8110 7.9107 7.9107 8.1446 8.1446 8.1925 8.1925 8.7071 8.7071 8.7694 8.7694 8.8724 8.8724 9.1370 9.1370 9.4940 9.4940 9.5332 9.5332 9.6647 9.6647 9.7300 9.7300 11.2647 11.2647 11.5822 11.5822 12.6628 12.6628 14.2983 14.2983 14.6519 14.6519 15.2313 15.2313 k = 0.5000 0.2887 0.2253 ( 2918 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8108 -16.8108 1.0125 1.0125 1.5501 1.5501 5.1702 5.1702 6.3770 6.3770 7.7982 7.7982 7.8930 7.8930 8.1569 8.1569 8.1970 8.1970 8.7071 8.7071 8.7708 8.7708 8.8634 8.8634 9.1380 9.1380 9.4886 9.4886 9.5295 9.5295 9.6698 9.6698 9.7432 9.7432 11.1791 11.1791 11.5483 11.5483 12.7264 12.7264 14.2880 14.2880 14.6688 14.6688 15.2514 15.2514 k = 0.5000 0.2887 0.2135 ( 2918 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8108 -16.8108 1.0178 1.0178 1.5389 1.5389 5.1885 5.1885 6.3950 6.3950 7.7845 7.7845 7.8759 7.8759 8.1618 8.1618 8.2070 8.2070 8.7071 8.7071 8.7726 8.7726 8.8535 8.8535 9.1390 9.1390 9.4831 9.4831 9.5246 9.5246 9.6744 9.6744 9.7594 9.7594 11.0927 11.0927 11.5108 11.5108 12.7863 12.7863 14.2806 14.2806 14.6871 14.6871 15.2720 15.2720 k = 0.5000 0.2887 0.2016 ( 2916 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8108 -16.8108 1.0238 1.0238 1.5266 1.5266 5.2085 5.2085 6.4151 6.4151 7.7701 7.7701 7.8595 7.8595 8.1601 8.1601 8.2214 8.2214 8.7073 8.7073 8.7747 8.7747 8.8431 8.8431 9.1401 9.1401 9.4778 9.4778 9.5183 9.5183 9.6788 9.6788 9.7782 9.7782 11.0069 11.0069 11.4700 11.4700 12.8410 12.8410 14.2770 14.2770 14.7064 14.7064 15.2930 15.2930 k = 0.5000 0.2887 0.1898 ( 2918 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8108 -16.8108 1.0304 1.0304 1.5132 1.5132 5.2298 5.2298 6.4371 6.4371 7.7554 7.7554 7.8437 7.8437 8.1540 8.1540 8.2374 8.2374 8.7075 8.7075 8.7768 8.7768 8.8329 8.8329 9.1412 9.1412 9.4726 9.4726 9.5106 9.5106 9.6831 9.6831 9.7993 9.7993 10.9227 10.9227 11.4264 11.4264 12.8897 12.8897 14.2776 14.2776 14.7263 14.7263 15.3145 15.3145 k = 0.5000 0.2887 0.1779 ( 2918 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8108 -16.8108 1.0377 1.0377 1.4989 1.4989 5.2523 5.2523 6.4609 6.4609 7.7406 7.7406 7.8286 7.8286 8.1447 8.1447 8.2538 8.2538 8.7078 8.7078 8.7779 8.7779 8.8239 8.8239 9.1422 9.1422 9.4674 9.4674 9.5016 9.5016 9.6874 9.6874 9.8226 9.8226 10.8410 10.8410 11.3803 11.3803 12.9319 12.9319 14.2825 14.2825 14.7463 14.7463 15.3370 15.3370 k = 0.5000 0.2887 0.1660 ( 2914 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8108 -16.8108 1.0458 1.0458 1.4837 1.4837 5.2755 5.2755 6.4864 6.4864 7.7260 7.7260 7.8144 7.8144 8.1327 8.1327 8.2698 8.2698 8.7081 8.7081 8.7765 8.7765 8.8180 8.8180 9.1434 9.1434 9.4623 9.4623 9.4913 9.4913 9.6918 9.6918 9.8477 9.8477 10.7626 10.7626 11.3323 11.3323 12.9677 12.9677 14.2917 14.2917 14.7660 14.7660 15.3608 15.3608 k = 0.5000 0.2887 0.1542 ( 2912 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8108 -16.8108 1.0544 1.0544 1.4679 1.4679 5.2992 5.2992 6.5132 6.5132 7.7117 7.7117 7.8010 7.8010 8.1182 8.1182 8.2852 8.2852 8.7085 8.7085 8.7711 8.7711 8.8172 8.8172 9.1446 9.1446 9.4568 9.4568 9.4800 9.4800 9.6962 9.6962 9.8746 9.8746 10.6880 10.6880 11.2827 11.2827 12.9972 12.9972 14.3046 14.3046 14.7853 14.7853 15.3863 15.3863 k = 0.5000 0.2887 0.1423 ( 2912 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8937 -16.8937 -16.8107 -16.8107 1.0637 1.0637 1.4514 1.4514 5.3230 5.3230 6.5411 6.5411 7.6980 7.6980 7.7886 7.7886 8.1012 8.1012 8.2998 8.2998 8.7087 8.7087 8.7623 8.7623 8.8207 8.8207 9.1460 9.1460 9.4501 9.4501 9.4689 9.4689 9.7004 9.7004 9.9031 9.9031 10.6178 10.6178 11.2318 11.2318 13.0210 13.0210 14.3203 14.3203 14.8037 14.8037 15.4139 15.4139 k = 0.5000 0.2887 0.1305 ( 2924 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8938 -16.8938 -16.8108 -16.8108 1.0737 1.0737 1.4345 1.4345 5.3466 5.3466 6.5698 6.5698 7.6850 7.6850 7.7770 7.7770 8.0820 8.0820 8.3135 8.3135 8.7086 8.7086 8.7519 8.7519 8.8271 8.8271 9.1476 9.1476 9.4399 9.4399 9.4598 9.4598 9.7044 9.7044 9.9330 9.9330 10.5526 10.5526 11.1803 11.1803 13.0396 13.0396 14.3382 14.3382 14.8212 14.8212 15.4440 15.4440 k = 0.5000 0.2887 0.1186 ( 2922 PWs) bands (ev): -50.1735 -50.1735 -24.5245 -24.5245 -16.8938 -16.8938 -16.8108 -16.8108 1.0842 1.0842 1.4173 1.4173 5.3697 5.3697 6.5988 6.5988 7.6731 7.6731 7.7665 7.7665 8.0609 8.0609 8.3262 8.3262 8.7080 8.7080 8.7417 8.7417 8.8354 8.8354 9.1496 9.1496 9.4257 9.4257 9.4538 9.4538 9.7081 9.7081 9.9642 9.9642 10.4927 10.4927 11.1285 11.1285 13.0540 13.0540 14.3571 14.3571 14.8375 14.8375 15.4769 15.4769 k = 0.5000 0.2887 0.1067 ( 2926 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8938 -16.8938 -16.8108 -16.8108 1.0953 1.0953 1.3998 1.3998 5.3918 5.3918 6.6278 6.6278 7.6624 7.6624 7.7572 7.7572 8.0381 8.0381 8.3378 8.3378 8.7060 8.7060 8.7328 8.7328 8.8447 8.8447 9.1520 9.1520 9.4086 9.4086 9.4495 9.4495 9.7114 9.7114 9.9964 9.9964 10.4386 10.4386 11.0769 11.0769 13.0648 13.0648 14.3763 14.3763 14.8525 14.8525 15.5126 15.5126 k = 0.5000 0.2887 0.0949 ( 2930 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8938 -16.8938 -16.8109 -16.8109 1.1070 1.1070 1.3822 1.3822 5.4126 5.4126 6.6563 6.6563 7.6531 7.6531 7.7490 7.7490 8.0141 8.0141 8.3483 8.3483 8.7017 8.7017 8.7266 8.7266 8.8548 8.8548 9.1550 9.1550 9.3897 9.3897 9.4461 9.4461 9.7143 9.7143 10.0293 10.0293 10.3904 10.3904 11.0260 11.0260 13.0727 13.0727 14.3950 14.3950 14.8661 14.8661 15.5513 15.5513 k = 0.5000 0.2887 0.0830 ( 2926 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8938 -16.8938 -16.8108 -16.8108 1.1191 1.1191 1.3647 1.3647 5.4319 5.4319 6.6836 6.6836 7.6453 7.6453 7.7421 7.7421 7.9895 7.9895 8.3577 8.3577 8.6951 8.6951 8.7234 8.7234 8.8653 8.8653 9.1589 9.1589 9.3696 9.3696 9.4434 9.4434 9.7167 9.7167 10.0624 10.0624 10.3483 10.3483 10.9765 10.9765 13.0784 13.0784 14.4125 14.4125 14.8783 14.8783 15.5928 15.5928 k = 0.5000 0.2887 0.0712 ( 2928 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8938 -16.8938 -16.8108 -16.8108 1.1316 1.1316 1.3474 1.3474 5.4494 5.4494 6.7091 6.7091 7.6391 7.6391 7.7366 7.7366 7.9648 7.9648 8.3659 8.3659 8.6876 8.6876 8.7220 8.7220 8.8757 8.8757 9.1638 9.1638 9.3485 9.3485 9.4412 9.4412 9.7187 9.7187 10.0952 10.0952 10.3124 10.3124 10.9292 10.9292 13.0824 13.0824 14.4283 14.4283 14.8889 14.8889 15.6369 15.6369 k = 0.5000 0.2887 0.0593 ( 2928 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8938 -16.8938 -16.8108 -16.8108 1.1443 1.1443 1.3304 1.3304 5.4647 5.4647 6.7323 6.7323 7.6345 7.6345 7.7324 7.7324 7.9409 7.9409 8.3729 8.3729 8.6803 8.6803 8.7216 8.7216 8.8856 8.8856 9.1699 9.1699 9.3270 9.3270 9.4393 9.4393 9.7202 9.7202 10.1266 10.1266 10.2827 10.2827 10.8849 10.8849 13.0852 13.0852 14.4421 14.4421 14.8979 14.8979 15.6831 15.6831 k = 0.5000 0.2887 0.0474 ( 2938 PWs) bands (ev): -50.1735 -50.1735 -24.5247 -24.5247 -16.8939 -16.8939 -16.8109 -16.8109 1.1570 1.1570 1.3142 1.3142 5.4775 5.4775 6.7525 6.7525 7.6313 7.6313 7.7296 7.7296 7.9187 7.9187 8.3786 8.3786 8.6738 8.6738 8.7214 8.7214 8.8946 8.8946 9.1775 9.1775 9.3054 9.3054 9.4377 9.4377 9.7213 9.7213 10.1555 10.1555 10.2593 10.2593 10.8448 10.8448 13.0870 13.0870 14.4536 14.4536 14.9052 14.9052 15.7307 15.7307 k = 0.5000 0.2887 0.0356 ( 2926 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8938 -16.8938 -16.8108 -16.8108 1.1692 1.1692 1.2992 1.2992 5.4878 5.4878 6.7690 6.7690 7.6294 7.6294 7.7281 7.7281 7.8993 7.8993 8.3832 8.3832 8.6686 8.6686 8.7215 8.7215 8.9024 8.9024 9.1870 9.1870 9.2842 9.2842 9.4366 9.4366 9.7221 9.7221 10.1798 10.1798 10.2427 10.2427 10.8105 10.8105 13.0881 13.0881 14.4627 14.4627 14.9110 14.9110 15.7784 15.7784 k = 0.5000 0.2887 0.0237 ( 2926 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8938 -16.8938 -16.8108 -16.8108 1.1802 1.1802 1.2863 1.2863 5.4952 5.4952 6.7812 6.7812 7.6283 7.6283 7.7275 7.7275 7.8839 7.8839 8.3864 8.3864 8.6647 8.6647 8.7216 8.7216 8.9082 8.9082 9.1984 9.1984 9.2639 9.2639 9.4357 9.4357 9.7227 9.7227 10.1960 10.1960 10.2342 10.2342 10.7838 10.7838 13.0888 13.0888 14.4692 14.4692 14.9151 14.9151 15.8237 15.8237 k = 0.5000 0.2887 0.0119 ( 2932 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8938 -16.8938 -16.8108 -16.8108 1.1884 1.1884 1.2769 1.2769 5.4997 5.4997 6.7887 6.7887 7.6279 7.6279 7.7275 7.7275 7.8739 7.8739 8.3884 8.3884 8.6623 8.6623 8.7216 8.7216 8.9119 8.9119 9.2118 9.2118 9.2448 9.2448 9.4352 9.4352 9.7229 9.7229 10.2016 10.2016 10.2345 10.2345 10.7666 10.7666 13.0892 13.0892 14.4732 14.4732 14.9176 14.9176 15.8609 15.8609 k = 0.5000 0.2887-0.0000 ( 2926 PWs) bands (ev): -50.1735 -50.1735 -24.5246 -24.5246 -16.8938 -16.8938 -16.8108 -16.8108 1.1915 1.1915 1.2733 1.2733 5.5013 5.5013 6.7913 6.7913 7.6278 7.6278 7.7276 7.7276 7.8705 7.8705 8.3890 8.3890 8.6615 8.6615 8.7217 8.7217 8.9131 8.9131 9.2262 9.2262 9.2285 9.2285 9.4351 9.4351 9.7231 9.7231 10.2021 10.2021 10.2362 10.2362 10.7607 10.7607 13.0893 13.0893 14.4745 14.4745 14.9184 14.9184 15.8771 15.8771 k = 0.3333 0.5774-0.0000 ( 2946 PWs) bands (ev): -50.1731 -50.1731 -24.5275 -24.5275 -16.8810 -16.8810 -16.8392 -16.8392 1.3713 1.3713 1.4550 1.4550 6.4311 6.4311 6.4865 6.4865 6.5367 6.5367 7.6680 7.6680 7.9091 7.9091 7.9398 7.9398 8.5699 8.5699 8.8160 8.8160 9.0823 9.0823 9.1317 9.1317 9.2806 9.2806 9.4729 9.4729 9.5073 9.5073 9.9297 9.9297 10.0580 10.0580 11.3777 11.3777 13.1730 13.1730 14.6694 14.6694 14.8592 14.8592 15.4601 15.4601 k = 0.3333 0.5774 0.0119 ( 2946 PWs) bands (ev): -50.1731 -50.1731 -24.5275 -24.5275 -16.8810 -16.8810 -16.8392 -16.8392 1.3714 1.3714 1.4550 1.4550 6.4313 6.4313 6.4846 6.4846 6.5355 6.5355 7.6693 7.6693 7.9100 7.9100 7.9408 7.9408 8.5700 8.5700 8.8161 8.8161 9.0815 9.0815 9.1309 9.1309 9.2805 9.2805 9.4732 9.4732 9.5068 9.5068 9.9323 9.9323 10.0600 10.0600 11.3737 11.3737 13.1755 13.1755 14.6671 14.6671 14.8563 14.8563 15.4626 15.4626 k = 0.3333 0.5774 0.0237 ( 2940 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8810 -16.8810 -16.8391 -16.8391 1.3717 1.3717 1.4552 1.4552 6.4320 6.4320 6.4792 6.4792 6.5319 6.5319 7.6731 7.6731 7.9124 7.9124 7.9438 7.9438 8.5704 8.5704 8.8164 8.8164 9.0792 9.0792 9.1288 9.1288 9.2802 9.2802 9.4743 9.4743 9.5053 9.5053 9.9402 9.9402 10.0660 10.0660 11.3619 11.3619 13.1827 13.1827 14.6603 14.6603 14.8478 14.8478 15.4698 15.4698 k = 0.3333 0.5774 0.0356 ( 2922 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3721 1.3721 1.4554 1.4554 6.4332 6.4332 6.4703 6.4703 6.5259 6.5259 7.6792 7.6792 7.9166 7.9166 7.9488 7.9488 8.5710 8.5710 8.8171 8.8171 9.0753 9.0753 9.1253 9.1253 9.2799 9.2799 9.4761 9.4761 9.5029 9.5029 9.9531 9.9531 10.0760 10.0760 11.3426 11.3426 13.1944 13.1944 14.6492 14.6492 14.8341 14.8341 15.4815 15.4815 k = 0.3333 0.5774 0.0474 ( 2928 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3727 1.3727 1.4558 1.4558 6.4347 6.4347 6.4583 6.4583 6.5178 6.5178 7.6873 7.6873 7.9223 7.9223 7.9555 7.9555 8.5718 8.5718 8.8178 8.8178 9.0700 9.0700 9.1203 9.1203 9.2791 9.2791 9.4783 9.4783 9.4998 9.4998 9.9706 9.9706 10.0896 10.0896 11.3165 11.3165 13.2101 13.2101 14.6339 14.6339 14.8156 14.8156 15.4970 15.4970 k = 0.3333 0.5774 0.0593 ( 2934 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8809 -16.8809 -16.8392 -16.8392 1.3735 1.3735 1.4562 1.4562 6.4363 6.4363 6.4439 6.4439 6.5077 6.5077 7.6972 7.6972 7.9296 7.9296 7.9639 7.9639 8.5728 8.5728 8.8187 8.8187 9.0634 9.0634 9.1142 9.1142 9.2781 9.2781 9.4810 9.4810 9.4963 9.4963 9.9924 9.9924 10.1070 10.1070 11.2842 11.2842 13.2290 13.2290 14.6148 14.6148 14.7929 14.7929 15.5157 15.5157 k = 0.3333 0.5774 0.0712 ( 2928 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3743 1.3743 1.4567 1.4567 6.4254 6.4254 6.4398 6.4398 6.4958 6.4958 7.7087 7.7087 7.9384 7.9384 7.9737 7.9737 8.5740 8.5740 8.8198 8.8198 9.0556 9.0556 9.1069 9.1069 9.2769 9.2769 9.4842 9.4842 9.4927 9.4927 10.0180 10.0180 10.1279 10.1279 11.2469 11.2469 13.2505 13.2505 14.5922 14.5922 14.7667 14.7667 15.5372 15.5372 k = 0.3333 0.5774 0.0830 ( 2928 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3754 1.3754 1.4573 1.4573 6.4062 6.4062 6.4424 6.4424 6.4824 6.4824 7.7213 7.7213 7.9486 7.9486 7.9849 7.9849 8.5753 8.5753 8.8211 8.8211 9.0468 9.0468 9.0987 9.0987 9.2753 9.2753 9.4876 9.4876 9.4891 9.4891 10.0470 10.0470 10.1520 10.1520 11.2053 11.2053 13.2739 13.2739 14.5666 14.5666 14.7376 14.7376 15.5606 15.5606 k = 0.3333 0.5774 0.0949 ( 2928 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3765 1.3765 1.4579 1.4579 6.3853 6.3853 6.4455 6.4455 6.4678 6.4678 7.7346 7.7346 7.9600 7.9600 7.9970 7.9970 8.5768 8.5768 8.8227 8.8227 9.0372 9.0372 9.0896 9.0896 9.2734 9.2734 9.4856 9.4856 9.4912 9.4912 10.0788 10.0788 10.1791 10.1791 11.1603 11.1603 13.2984 13.2984 14.5382 14.5382 14.7059 14.7059 15.5856 15.5856 k = 0.3333 0.5774 0.1067 ( 2925 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3778 1.3778 1.4586 1.4586 6.3631 6.3631 6.4488 6.4488 6.4521 6.4521 7.7486 7.7486 7.9726 7.9726 8.0100 8.0100 8.5785 8.5785 8.8243 8.8243 9.0268 9.0268 9.0799 9.0799 9.2711 9.2711 9.4825 9.4825 9.4950 9.4950 10.1131 10.1131 10.2089 10.2089 11.1130 11.1130 13.3235 13.3235 14.5075 14.5075 14.6723 14.6723 15.6117 15.6117 k = 0.3333 0.5774 0.1186 ( 2931 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8809 -16.8809 -16.8392 -16.8392 1.3791 1.3791 1.4594 1.4594 6.3402 6.3402 6.4358 6.4358 6.4524 6.4524 7.7629 7.7629 7.9860 7.9860 8.0236 8.0236 8.5801 8.5801 8.8262 8.8262 9.0159 9.0159 9.0696 9.0696 9.2684 9.2684 9.4796 9.4796 9.4987 9.4987 10.1495 10.1495 10.2410 10.2410 11.0640 11.0640 13.3487 13.3487 14.4749 14.4749 14.6371 14.6371 15.6383 15.6383 k = 0.3333 0.5774 0.1305 ( 2928 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3805 1.3805 1.4602 1.4602 6.3170 6.3170 6.4191 6.4191 6.4561 6.4561 7.7773 7.7773 8.0001 8.0001 8.0377 8.0377 8.5819 8.5819 8.8282 8.8282 9.0045 9.0045 9.0590 9.0590 9.2655 9.2655 9.4771 9.4771 9.5025 9.5025 10.1873 10.1873 10.2751 10.2751 11.0144 11.0144 13.3734 13.3734 14.4409 14.4409 14.6007 14.6007 15.6652 15.6652 k = 0.3333 0.5774 0.1423 ( 2922 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3819 1.3819 1.4610 1.4610 6.2937 6.2937 6.4023 6.4023 6.4599 6.4599 7.7918 7.7918 8.0147 8.0147 8.0520 8.0520 8.5836 8.5836 8.8304 8.8304 8.9930 8.9930 9.0482 9.0482 9.2622 9.2622 9.4749 9.4749 9.5061 9.5061 10.2262 10.2262 10.3107 10.3107 10.9648 10.9648 13.3973 13.3973 14.4057 14.4057 14.5635 14.5635 15.6920 15.6920 k = 0.3333 0.5774 0.1542 ( 2922 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3834 1.3834 1.4618 1.4618 6.2708 6.2708 6.3855 6.3855 6.4638 6.4638 7.8061 7.8061 8.0294 8.0294 8.0663 8.0663 8.5853 8.5853 8.8326 8.8326 8.9813 8.9813 9.0372 9.0372 9.2586 9.2586 9.4731 9.4731 9.5097 9.5097 10.2655 10.2655 10.3473 10.3473 10.9159 10.9159 13.4201 13.4201 14.3698 14.3698 14.5259 14.5259 15.7184 15.7184 k = 0.3333 0.5774 0.1660 ( 2922 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3848 1.3848 1.4626 1.4626 6.2485 6.2485 6.3691 6.3691 6.4676 6.4676 7.8202 7.8202 8.0441 8.0441 8.0804 8.0804 8.5870 8.5870 8.8350 8.8350 8.9696 8.9696 9.0263 9.0263 9.2548 9.2548 9.4716 9.4716 9.5130 9.5130 10.3048 10.3048 10.3845 10.3845 10.8686 10.8686 13.4417 13.4417 14.3337 14.3337 14.4884 14.4884 15.7441 15.7441 k = 0.3333 0.5774 0.1779 ( 2928 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3863 1.3863 1.4634 1.4634 6.2270 6.2270 6.3532 6.3532 6.4714 6.4714 7.8340 7.8340 8.0584 8.0584 8.0942 8.0942 8.5885 8.5885 8.8374 8.8374 8.9580 8.9580 9.0156 9.0156 9.2507 9.2507 9.4704 9.4704 9.5162 9.5162 10.3433 10.3433 10.4217 10.4217 10.8235 10.8235 13.4617 13.4617 14.2978 14.2978 14.4513 14.4513 15.7690 15.7690 k = 0.3333 0.5774 0.1898 ( 2928 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3877 1.3877 1.4642 1.4642 6.2067 6.2067 6.3380 6.3380 6.4751 6.4751 7.8473 7.8473 8.0722 8.0722 8.1074 8.1074 8.5899 8.5899 8.8399 8.8399 8.9469 8.9469 9.0053 9.0053 9.2466 9.2466 9.4695 9.4695 9.5191 9.5191 10.3803 10.3803 10.4585 10.4585 10.7814 10.7814 13.4802 13.4802 14.2626 14.2626 14.4151 14.4151 15.7927 15.7927 k = 0.3333 0.5774 0.2016 ( 2928 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8808 -16.8808 -16.8391 -16.8391 1.3890 1.3890 1.4650 1.4650 6.1877 6.1877 6.3238 6.3238 6.4786 6.4786 7.8601 7.8601 8.0853 8.0853 8.1201 8.1201 8.5913 8.5913 8.8424 8.8424 8.9361 8.9361 8.9954 8.9954 9.2423 9.2423 9.4687 9.4687 9.5218 9.5218 10.4148 10.4148 10.4941 10.4941 10.7431 10.7431 13.4970 13.4970 14.2286 14.2286 14.3803 14.3803 15.8150 15.8150 k = 0.3333 0.5774 0.2135 ( 2934 PWs) bands (ev): -50.1731 -50.1731 -24.5273 -24.5273 -16.8809 -16.8809 -16.8392 -16.8392 1.3903 1.3903 1.4657 1.4657 6.1703 6.1703 6.3106 6.3106 6.4818 6.4818 7.8721 7.8721 8.0974 8.0974 8.1319 8.1319 8.5924 8.5924 8.8449 8.8449 8.9259 8.9259 8.9862 8.9862 9.2381 9.2381 9.4681 9.4681 9.5242 9.5242 10.4457 10.4457 10.5281 10.5281 10.7096 10.7096 13.5120 13.5120 14.1963 14.1963 14.3473 14.3473 15.8357 15.8357 k = 0.3333 0.5774 0.2253 ( 2952 PWs) bands (ev): -50.1731 -50.1731 -24.5275 -24.5275 -16.8809 -16.8809 -16.8393 -16.8393 1.3915 1.3915 1.4663 1.4663 6.1545 6.1545 6.2987 6.2987 6.4847 6.4847 7.8833 7.8833 8.1085 8.1085 8.1427 8.1427 8.5934 8.5934 8.8472 8.8472 8.9165 8.9165 8.9777 8.9777 9.2339 9.2339 9.4676 9.4676 9.5263 9.5263 10.4713 10.4713 10.5598 10.5598 10.6824 10.6824 13.5253 13.5253 14.1661 14.1661 14.3166 14.3166 15.8546 15.8546 k = 0.3333 0.5774 0.2372 ( 2943 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8809 -16.8809 -16.8392 -16.8392 1.3925 1.3925 1.4669 1.4669 6.1405 6.1405 6.2881 6.2881 6.4874 6.4874 7.8935 7.8935 8.1183 8.1183 8.1525 8.1525 8.5943 8.5943 8.8495 8.8495 8.9080 8.9080 8.9701 8.9701 9.2300 9.2300 9.4674 9.4674 9.5283 9.5283 10.4898 10.4898 10.5887 10.5887 10.6634 10.6634 13.5368 13.5368 14.1387 14.1387 14.2888 14.2888 15.8716 15.8716 k = 0.3333 0.5774 0.2491 ( 2943 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8809 -16.8809 -16.8392 -16.8392 1.3934 1.3934 1.4674 1.4674 6.1285 6.1285 6.2789 6.2789 6.4898 6.4898 7.9024 7.9024 8.1268 8.1268 8.1610 8.1610 8.5949 8.5949 8.8516 8.8516 8.9006 8.9006 8.9635 8.9635 9.2265 9.2265 9.4672 9.4672 9.5299 9.5299 10.4996 10.4996 10.6143 10.6143 10.6537 10.6537 13.5466 13.5466 14.1145 14.1145 14.2642 14.2642 15.8863 15.8863 k = 0.3333 0.5774 0.2609 ( 2943 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8809 -16.8809 -16.8392 -16.8392 1.3942 1.3942 1.4679 1.4679 6.1186 6.1186 6.2714 6.2714 6.4917 6.4917 7.9101 7.9101 8.1339 8.1339 8.1682 8.1682 8.5955 8.5955 8.8535 8.8535 8.8943 8.8943 8.9579 8.9579 9.2234 9.2234 9.4670 9.4670 9.5313 9.5313 10.5013 10.5013 10.6360 10.6360 10.6525 10.6525 13.5545 13.5545 14.0940 14.0940 14.2434 14.2434 15.8986 15.8986 k = 0.3333 0.5774 0.2728 ( 2943 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8809 -16.8809 -16.8392 -16.8392 1.3948 1.3948 1.4682 1.4682 6.1108 6.1108 6.2654 6.2654 6.4932 6.4932 7.9162 7.9162 8.1395 8.1395 8.1739 8.1739 8.5958 8.5958 8.8550 8.8550 8.8892 8.8892 8.9534 8.9534 9.2209 9.2209 9.4669 9.4669 9.5323 9.5323 10.4980 10.4980 10.6534 10.6534 10.6563 10.6563 13.5607 13.5607 14.0775 14.0775 14.2268 14.2268 15.9084 15.9084 k = 0.3333 0.5774 0.2846 ( 2937 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8809 -16.8809 -16.8392 -16.8392 1.3952 1.3952 1.4684 1.4684 6.1051 6.1051 6.2611 6.2611 6.4944 6.4944 7.9207 7.9207 8.1436 8.1436 8.1780 8.1780 8.5962 8.5962 8.8561 8.8561 8.8856 8.8856 8.9502 8.9502 9.2190 9.2190 9.4669 9.4669 9.5331 9.5331 10.4934 10.4934 10.6616 10.6616 10.6661 10.6661 13.5651 13.5651 14.0655 14.0655 14.2147 14.2147 15.9155 15.9155 k = 0.3333 0.5774 0.2965 ( 2943 PWs) bands (ev): -50.1731 -50.1731 -24.5274 -24.5274 -16.8809 -16.8809 -16.8392 -16.8392 1.3955 1.3955 1.4686 1.4686 6.1017 6.1017 6.2585 6.2585 6.4950 6.4950 7.9234 7.9234 8.1460 8.1460 8.1805 8.1805 8.5963 8.5963 8.8568 8.8568 8.8833 8.8833 8.9482 8.9482 9.2178 9.2178 9.4668 9.4668 9.5335 9.5335 10.4898 10.4898 10.6656 10.6656 10.6738 10.6738 13.5677 13.5677 14.0582 14.0582 14.2073 14.2073 15.9198 15.9198 k = 0.3333 0.5774 0.3084 ( 2946 PWs) bands (ev): -50.1731 -50.1731 -24.5275 -24.5275 -16.8809 -16.8809 -16.8393 -16.8393 1.3956 1.3956 1.4686 1.4686 6.1006 6.1006 6.2576 6.2576 6.4952 6.4952 7.9243 7.9243 8.1468 8.1468 8.1814 8.1814 8.5963 8.5963 8.8571 8.8571 8.8825 8.8825 8.9476 8.9476 9.2174 9.2174 9.4668 9.4668 9.5336 9.5336 10.4885 10.4885 10.6670 10.6670 10.6764 10.6764 13.5686 13.5686 14.0558 14.0558 14.2048 14.2048 15.9212 15.9212 Writing output data file HfxCuPx2.save init_run : 0.36s CPU 0.67s WALL ( 1 calls) electrons : 121.93s CPU 125.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 121.92s CPU 125.02s 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 : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 351 calls) cegterg : 110.50s CPU 112.32s WALL ( 361 calls) Called by sum_band: Called by *egterg: h_psi : 50.88s CPU 52.38s WALL ( 6805 calls) s_psi : 5.85s CPU 5.89s WALL ( 6805 calls) g_psi : 0.14s CPU 0.16s WALL ( 6093 calls) cdiaghg : 49.77s CPU 50.49s WALL ( 6444 calls) cegterg:over : 4.76s CPU 4.68s WALL ( 6093 calls) cegterg:upda : 3.38s CPU 3.42s WALL ( 6093 calls) cegterg:last : 2.14s CPU 2.11s WALL ( 1063 calls) cdiaghg:chol : 2.67s CPU 2.82s WALL ( 6444 calls) cdiaghg:inve : 1.92s CPU 1.91s WALL ( 6444 calls) cdiaghg:para : 3.08s CPU 3.10s WALL ( 12888 calls) Called by h_psi: h_psi:vloc : 38.61s CPU 39.77s WALL ( 6805 calls) h_psi:vnl : 12.12s CPU 12.45s WALL ( 6805 calls) add_vuspsi : 6.61s CPU 6.81s WALL ( 6805 calls) General routines calbec : 5.48s CPU 5.63s WALL ( 6805 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 36.00s CPU 36.99s WALL ( 777772 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.15s WALL ( 702 calls) Parallel routines fft_scatter : 18.40s CPU 18.89s WALL ( 777795 calls) PWSCF : 2m17.44s CPU 2m47.08s WALL This run was terminated on: 17:33:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=