Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:35:33 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: ./MgxBeAsx2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 85 31 8 6484 1460 218 Max 87 32 9 6489 1486 229 Sum 3067 1147 313 233521 53079 8101 bravais-lattice index = 14 lattice parameter (alat) = 7.1451 a.u. unit-cell volume = 537.7204 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.145054 celldm(2)= 1.000000 celldm(3)= 1.702195 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 1.702195 ) 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 0.587477 ) PseudoPot. # 1 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) Be 4.00 9.01220 Be( 1.00) As 5.00 74.92160 As( 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= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0104167 0.0060141 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0520833 0.0300703 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0729167 0.0420985 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0028736 k( 10) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0028736 k( 11) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0028736 k( 12) = ( 0.1145833 0.0661547 -0.0000000), wk = 0.0028736 k( 13) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1354167 0.0781829 -0.0000000), wk = 0.0028736 k( 15) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0028736 k( 16) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0028736 k( 18) = ( 0.1770833 0.1022391 -0.0000000), wk = 0.0028736 k( 19) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0028736 k( 20) = ( 0.1979167 0.1142672 -0.0000000), wk = 0.0028736 k( 21) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0028736 k( 22) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0028736 k( 23) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0028736 k( 24) = ( 0.2395833 0.1383235 -0.0000000), wk = 0.0028736 k( 25) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0028736 k( 26) = ( 0.2604167 0.1503516 -0.0000000), wk = 0.0028736 k( 27) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0028736 k( 28) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0028736 k( 29) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0028736 k( 30) = ( 0.3020833 0.1744079 -0.0000000), wk = 0.0028736 k( 31) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0028736 k( 32) = ( 0.3229167 0.1864360 -0.0000000), wk = 0.0028736 k( 33) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0028736 k( 34) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0028736 k( 35) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0028736 k( 36) = ( 0.3645833 0.2104923 -0.0000000), wk = 0.0028736 k( 37) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0028736 k( 38) = ( 0.3854167 0.2225204 -0.0000000), wk = 0.0028736 k( 39) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0028736 k( 40) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0028736 k( 41) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0028736 k( 42) = ( 0.4270833 0.2465767 -0.0000000), wk = 0.0028736 k( 43) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0028736 k( 44) = ( 0.4479167 0.2586048 -0.0000000), wk = 0.0028736 k( 45) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0028736 k( 46) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0028736 k( 47) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0028736 k( 48) = ( 0.4895833 0.2826611 -0.0000000), wk = 0.0028736 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028736 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028736 k( 51) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0028736 k( 52) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0028736 k( 53) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0028736 k( 54) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0028736 k( 55) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0028736 k( 56) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0028736 k( 57) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0028736 k( 58) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0028736 k( 59) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0028736 k( 60) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0028736 k( 61) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0028736 k( 62) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0028736 k( 63) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0028736 k( 64) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028736 k( 65) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0028736 k( 66) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0028736 k( 67) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0028736 k( 68) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0028736 k( 69) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0028736 k( 70) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0028736 k( 71) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0028736 k( 72) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0028736 k( 73) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0028736 k( 74) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0028736 k( 76) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0028736 k( 77) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0028736 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028736 k( 80) = ( 0.3273810 0.5670404 -0.0000000), wk = 0.0028736 k( 81) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0028736 k( 82) = ( 0.3154762 0.5464208 -0.0000000), wk = 0.0028736 k( 83) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0028736 k( 84) = ( 0.3035714 0.5258011 -0.0000000), wk = 0.0028736 k( 85) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0028736 k( 86) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0028736 k( 87) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0028736 k( 88) = ( 0.2797619 0.4845618 -0.0000000), wk = 0.0028736 k( 89) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0028736 k( 90) = ( 0.2678571 0.4639422 -0.0000000), wk = 0.0028736 k( 91) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0028736 k( 92) = ( 0.2559524 0.4433225 -0.0000000), wk = 0.0028736 k( 93) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0028736 k( 94) = ( 0.2440476 0.4227029 -0.0000000), wk = 0.0028736 k( 95) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0028736 k( 96) = ( 0.2321429 0.4020832 -0.0000000), wk = 0.0028736 k( 97) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0028736 k( 98) = ( 0.2202381 0.3814636 -0.0000000), wk = 0.0028736 k( 99) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0028736 k( 100) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0028736 k( 101) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0028736 k( 102) = ( 0.1964286 0.3402243 -0.0000000), wk = 0.0028736 k( 103) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0028736 k( 104) = ( 0.1845238 0.3196046 -0.0000000), wk = 0.0028736 k( 105) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0028736 k( 106) = ( 0.1726190 0.2989850 -0.0000000), wk = 0.0028736 k( 107) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0028736 k( 108) = ( 0.1607143 0.2783653 -0.0000000), wk = 0.0028736 k( 109) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0028736 k( 110) = ( 0.1488095 0.2577456 -0.0000000), wk = 0.0028736 k( 111) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0028736 k( 112) = ( 0.1369048 0.2371260 -0.0000000), wk = 0.0028736 k( 113) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0028736 k( 114) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0028736 k( 115) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0028736 k( 116) = ( 0.1130952 0.1958867 -0.0000000), wk = 0.0028736 k( 117) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0028736 k( 118) = ( 0.1011905 0.1752671 -0.0000000), wk = 0.0028736 k( 119) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0028736 k( 120) = ( 0.0892857 0.1546474 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0028736 k( 122) = ( 0.0773810 0.1340277 -0.0000000), wk = 0.0028736 k( 123) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0028736 k( 124) = ( 0.0654762 0.1134081 -0.0000000), wk = 0.0028736 k( 125) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0028736 k( 126) = ( 0.0535714 0.0927884 -0.0000000), wk = 0.0028736 k( 127) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0028736 k( 128) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0028736 k( 129) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0028736 k( 130) = ( 0.0297619 0.0515491 -0.0000000), wk = 0.0028736 k( 131) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0028736 k( 132) = ( 0.0178571 0.0309295 -0.0000000), wk = 0.0028736 k( 133) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0028736 k( 134) = ( 0.0059524 0.0103098 -0.0000000), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.0117495), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.0234991), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.0352486), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.0469981), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.0587477), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.0704972), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.0822467), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.0939963), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.1057458), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.1174953), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.1292449), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.1409944), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.1527439), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.1644935), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.1762430), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.1879925), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.1997421), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.2114916), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.2232411), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.2349907), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.2467402), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.2584897), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.2702393), wk = 0.0028736 k( 160) = ( 0.0000000 0.0000000 0.2819888), wk = 0.0028736 k( 161) = ( 0.0000000 0.0000000 0.2937383), wk = 0.0028736 k( 162) = ( 0.0000000 0.0000000 0.2937383), wk = 0.0028736 k( 163) = ( 0.0104167 0.0060141 0.2937383), wk = 0.0028736 k( 164) = ( 0.0208333 0.0120281 0.2937383), wk = 0.0028736 k( 165) = ( 0.0312500 0.0180422 0.2937383), wk = 0.0028736 k( 166) = ( 0.0416667 0.0240563 0.2937383), wk = 0.0028736 k( 167) = ( 0.0520833 0.0300703 0.2937383), wk = 0.0028736 k( 168) = ( 0.0625000 0.0360844 0.2937383), wk = 0.0028736 k( 169) = ( 0.0729167 0.0420985 0.2937383), wk = 0.0028736 k( 170) = ( 0.0833333 0.0481125 0.2937383), wk = 0.0028736 k( 171) = ( 0.0937500 0.0541266 0.2937383), wk = 0.0028736 k( 172) = ( 0.1041667 0.0601407 0.2937383), wk = 0.0028736 k( 173) = ( 0.1145833 0.0661547 0.2937383), wk = 0.0028736 k( 174) = ( 0.1250000 0.0721688 0.2937383), wk = 0.0028736 k( 175) = ( 0.1354167 0.0781829 0.2937383), wk = 0.0028736 k( 176) = ( 0.1458333 0.0841969 0.2937383), wk = 0.0028736 k( 177) = ( 0.1562500 0.0902110 0.2937383), wk = 0.0028736 k( 178) = ( 0.1666667 0.0962250 0.2937383), wk = 0.0028736 k( 179) = ( 0.1770833 0.1022391 0.2937383), wk = 0.0028736 k( 180) = ( 0.1875000 0.1082532 0.2937383), wk = 0.0028736 k( 181) = ( 0.1979167 0.1142672 0.2937383), wk = 0.0028736 k( 182) = ( 0.2083333 0.1202813 0.2937383), wk = 0.0028736 k( 183) = ( 0.2187500 0.1262954 0.2937383), wk = 0.0028736 k( 184) = ( 0.2291667 0.1323094 0.2937383), wk = 0.0028736 k( 185) = ( 0.2395833 0.1383235 0.2937383), wk = 0.0028736 k( 186) = ( 0.2500000 0.1443376 0.2937383), wk = 0.0028736 k( 187) = ( 0.2604167 0.1503516 0.2937383), wk = 0.0028736 k( 188) = ( 0.2708333 0.1563657 0.2937383), wk = 0.0028736 k( 189) = ( 0.2812500 0.1623798 0.2937383), wk = 0.0028736 k( 190) = ( 0.2916667 0.1683938 0.2937383), wk = 0.0028736 k( 191) = ( 0.3020833 0.1744079 0.2937383), wk = 0.0028736 k( 192) = ( 0.3125000 0.1804220 0.2937383), wk = 0.0028736 k( 193) = ( 0.3229167 0.1864360 0.2937383), wk = 0.0028736 k( 194) = ( 0.3333333 0.1924501 0.2937383), wk = 0.0028736 k( 195) = ( 0.3437500 0.1984642 0.2937383), wk = 0.0028736 k( 196) = ( 0.3541667 0.2044782 0.2937383), wk = 0.0028736 k( 197) = ( 0.3645833 0.2104923 0.2937383), wk = 0.0028736 k( 198) = ( 0.3750000 0.2165064 0.2937383), wk = 0.0028736 k( 199) = ( 0.3854167 0.2225204 0.2937383), wk = 0.0028736 k( 200) = ( 0.3958333 0.2285345 0.2937383), wk = 0.0028736 k( 201) = ( 0.4062500 0.2345485 0.2937383), wk = 0.0028736 k( 202) = ( 0.4166667 0.2405626 0.2937383), wk = 0.0028736 k( 203) = ( 0.4270833 0.2465767 0.2937383), wk = 0.0028736 k( 204) = ( 0.4375000 0.2525907 0.2937383), wk = 0.0028736 k( 205) = ( 0.4479167 0.2586048 0.2937383), wk = 0.0028736 k( 206) = ( 0.4583333 0.2646189 0.2937383), wk = 0.0028736 k( 207) = ( 0.4687500 0.2706329 0.2937383), wk = 0.0028736 k( 208) = ( 0.4791667 0.2766470 0.2937383), wk = 0.0028736 k( 209) = ( 0.4895833 0.2826611 0.2937383), wk = 0.0028736 k( 210) = ( 0.5000000 0.2886751 0.2937383), wk = 0.0028736 k( 211) = ( 0.5000000 0.2886751 0.2937383), wk = 0.0028736 k( 212) = ( 0.4940476 0.2989850 0.2937383), wk = 0.0028736 k( 213) = ( 0.4880952 0.3092948 0.2937383), wk = 0.0028736 k( 214) = ( 0.4821429 0.3196046 0.2937383), wk = 0.0028736 k( 215) = ( 0.4761905 0.3299144 0.2937383), wk = 0.0028736 k( 216) = ( 0.4702381 0.3402243 0.2937383), wk = 0.0028736 k( 217) = ( 0.4642857 0.3505341 0.2937383), wk = 0.0028736 k( 218) = ( 0.4583333 0.3608439 0.2937383), wk = 0.0028736 k( 219) = ( 0.4523810 0.3711537 0.2937383), wk = 0.0028736 k( 220) = ( 0.4464286 0.3814636 0.2937383), wk = 0.0028736 k( 221) = ( 0.4404762 0.3917734 0.2937383), wk = 0.0028736 k( 222) = ( 0.4345238 0.4020832 0.2937383), wk = 0.0028736 k( 223) = ( 0.4285714 0.4123930 0.2937383), wk = 0.0028736 k( 224) = ( 0.4226190 0.4227029 0.2937383), wk = 0.0028736 k( 225) = ( 0.4166667 0.4330127 0.2937383), wk = 0.0028736 k( 226) = ( 0.4107143 0.4433225 0.2937383), wk = 0.0028736 k( 227) = ( 0.4047619 0.4536324 0.2937383), wk = 0.0028736 k( 228) = ( 0.3988095 0.4639422 0.2937383), wk = 0.0028736 k( 229) = ( 0.3928571 0.4742520 0.2937383), wk = 0.0028736 k( 230) = ( 0.3869048 0.4845618 0.2937383), wk = 0.0028736 k( 231) = ( 0.3809524 0.4948717 0.2937383), wk = 0.0028736 k( 232) = ( 0.3750000 0.5051815 0.2937383), wk = 0.0028736 k( 233) = ( 0.3690476 0.5154913 0.2937383), wk = 0.0028736 k( 234) = ( 0.3630952 0.5258011 0.2937383), wk = 0.0028736 k( 235) = ( 0.3571429 0.5361110 0.2937383), wk = 0.0028736 k( 236) = ( 0.3511905 0.5464208 0.2937383), wk = 0.0028736 k( 237) = ( 0.3452381 0.5567306 0.2937383), wk = 0.0028736 k( 238) = ( 0.3392857 0.5670404 0.2937383), wk = 0.0028736 k( 239) = ( 0.3333333 0.5773503 0.2937383), wk = 0.0028736 k( 240) = ( 0.3333333 0.5773503 0.2937383), wk = 0.0028736 k( 241) = ( 0.3273810 0.5670404 0.2937383), wk = 0.0028736 k( 242) = ( 0.3214286 0.5567306 0.2937383), wk = 0.0028736 k( 243) = ( 0.3154762 0.5464208 0.2937383), wk = 0.0028736 k( 244) = ( 0.3095238 0.5361110 0.2937383), wk = 0.0028736 k( 245) = ( 0.3035714 0.5258011 0.2937383), wk = 0.0028736 k( 246) = ( 0.2976190 0.5154913 0.2937383), wk = 0.0028736 k( 247) = ( 0.2916667 0.5051815 0.2937383), wk = 0.0028736 k( 248) = ( 0.2857143 0.4948717 0.2937383), wk = 0.0028736 k( 249) = ( 0.2797619 0.4845618 0.2937383), wk = 0.0028736 k( 250) = ( 0.2738095 0.4742520 0.2937383), wk = 0.0028736 k( 251) = ( 0.2678571 0.4639422 0.2937383), wk = 0.0028736 k( 252) = ( 0.2619048 0.4536324 0.2937383), wk = 0.0028736 k( 253) = ( 0.2559524 0.4433225 0.2937383), wk = 0.0028736 k( 254) = ( 0.2500000 0.4330127 0.2937383), wk = 0.0028736 k( 255) = ( 0.2440476 0.4227029 0.2937383), wk = 0.0028736 k( 256) = ( 0.2380952 0.4123931 0.2937383), wk = 0.0028736 k( 257) = ( 0.2321429 0.4020832 0.2937383), wk = 0.0028736 k( 258) = ( 0.2261905 0.3917734 0.2937383), wk = 0.0028736 k( 259) = ( 0.2202381 0.3814636 0.2937383), wk = 0.0028736 k( 260) = ( 0.2142857 0.3711537 0.2937383), wk = 0.0028736 k( 261) = ( 0.2083333 0.3608439 0.2937383), wk = 0.0028736 k( 262) = ( 0.2023810 0.3505341 0.2937383), wk = 0.0028736 k( 263) = ( 0.1964286 0.3402243 0.2937383), wk = 0.0028736 k( 264) = ( 0.1904762 0.3299144 0.2937383), wk = 0.0028736 k( 265) = ( 0.1845238 0.3196046 0.2937383), wk = 0.0028736 k( 266) = ( 0.1785714 0.3092948 0.2937383), wk = 0.0028736 k( 267) = ( 0.1726190 0.2989850 0.2937383), wk = 0.0028736 k( 268) = ( 0.1666667 0.2886751 0.2937383), wk = 0.0028736 k( 269) = ( 0.1607143 0.2783653 0.2937383), wk = 0.0028736 k( 270) = ( 0.1547619 0.2680555 0.2937383), wk = 0.0028736 k( 271) = ( 0.1488095 0.2577456 0.2937383), wk = 0.0028736 k( 272) = ( 0.1428571 0.2474358 0.2937383), wk = 0.0028736 k( 273) = ( 0.1369048 0.2371260 0.2937383), wk = 0.0028736 k( 274) = ( 0.1309524 0.2268162 0.2937383), wk = 0.0028736 k( 275) = ( 0.1250000 0.2165064 0.2937383), wk = 0.0028736 k( 276) = ( 0.1190476 0.2061965 0.2937383), wk = 0.0028736 k( 277) = ( 0.1130952 0.1958867 0.2937383), wk = 0.0028736 k( 278) = ( 0.1071429 0.1855769 0.2937383), wk = 0.0028736 k( 279) = ( 0.1011905 0.1752671 0.2937383), wk = 0.0028736 k( 280) = ( 0.0952381 0.1649572 0.2937383), wk = 0.0028736 k( 281) = ( 0.0892857 0.1546474 0.2937383), wk = 0.0028736 k( 282) = ( 0.0833333 0.1443376 0.2937383), wk = 0.0028736 k( 283) = ( 0.0773810 0.1340277 0.2937383), wk = 0.0028736 k( 284) = ( 0.0714286 0.1237179 0.2937383), wk = 0.0028736 k( 285) = ( 0.0654762 0.1134081 0.2937383), wk = 0.0028736 k( 286) = ( 0.0595238 0.1030983 0.2937383), wk = 0.0028736 k( 287) = ( 0.0535714 0.0927884 0.2937383), wk = 0.0028736 k( 288) = ( 0.0476191 0.0824786 0.2937383), wk = 0.0028736 k( 289) = ( 0.0416667 0.0721688 0.2937383), wk = 0.0028736 k( 290) = ( 0.0357143 0.0618590 0.2937383), wk = 0.0028736 k( 291) = ( 0.0297619 0.0515491 0.2937383), wk = 0.0028736 k( 292) = ( 0.0238095 0.0412393 0.2937383), wk = 0.0028736 k( 293) = ( 0.0178571 0.0309295 0.2937383), wk = 0.0028736 k( 294) = ( 0.0119048 0.0206196 0.2937383), wk = 0.0028736 k( 295) = ( 0.0059524 0.0103098 0.2937383), wk = 0.0028736 k( 296) = ( 0.0000000 0.0000000 0.2937383), wk = 0.0028736 k( 297) = ( 0.5000000 0.2886751 0.2937383), wk = 0.0028736 k( 298) = ( 0.5000000 0.2886751 0.2819888), wk = 0.0028736 k( 299) = ( 0.5000000 0.2886751 0.2702393), wk = 0.0028736 k( 300) = ( 0.5000000 0.2886751 0.2584897), wk = 0.0028736 k( 301) = ( 0.5000000 0.2886751 0.2467402), wk = 0.0028736 k( 302) = ( 0.5000000 0.2886751 0.2349907), wk = 0.0028736 k( 303) = ( 0.5000000 0.2886751 0.2232411), wk = 0.0028736 k( 304) = ( 0.5000000 0.2886751 0.2114916), wk = 0.0028736 k( 305) = ( 0.5000000 0.2886751 0.1997421), wk = 0.0028736 k( 306) = ( 0.5000000 0.2886751 0.1879925), wk = 0.0028736 k( 307) = ( 0.5000000 0.2886751 0.1762430), wk = 0.0028736 k( 308) = ( 0.5000000 0.2886751 0.1644935), wk = 0.0028736 k( 309) = ( 0.5000000 0.2886751 0.1527439), wk = 0.0028736 k( 310) = ( 0.5000000 0.2886751 0.1409944), wk = 0.0028736 k( 311) = ( 0.5000000 0.2886751 0.1292449), wk = 0.0028736 k( 312) = ( 0.5000000 0.2886751 0.1174953), wk = 0.0028736 k( 313) = ( 0.5000000 0.2886751 0.1057458), wk = 0.0028736 k( 314) = ( 0.5000000 0.2886751 0.0939963), wk = 0.0028736 k( 315) = ( 0.5000000 0.2886751 0.0822467), wk = 0.0028736 k( 316) = ( 0.5000000 0.2886751 0.0704972), wk = 0.0028736 k( 317) = ( 0.5000000 0.2886751 0.0587477), wk = 0.0028736 k( 318) = ( 0.5000000 0.2886751 0.0469981), wk = 0.0028736 k( 319) = ( 0.5000000 0.2886751 0.0352486), wk = 0.0028736 k( 320) = ( 0.5000000 0.2886751 0.0234991), wk = 0.0028736 k( 321) = ( 0.5000000 0.2886751 0.0117495), wk = 0.0028736 k( 322) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028736 k( 323) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028736 k( 324) = ( 0.3333333 0.5773503 0.0117495), wk = 0.0028736 k( 325) = ( 0.3333333 0.5773503 0.0234991), wk = 0.0028736 k( 326) = ( 0.3333333 0.5773503 0.0352486), wk = 0.0028736 k( 327) = ( 0.3333333 0.5773503 0.0469981), wk = 0.0028736 k( 328) = ( 0.3333333 0.5773503 0.0587477), wk = 0.0028736 k( 329) = ( 0.3333333 0.5773503 0.0704972), wk = 0.0028736 k( 330) = ( 0.3333333 0.5773503 0.0822467), wk = 0.0028736 k( 331) = ( 0.3333333 0.5773503 0.0939963), wk = 0.0028736 k( 332) = ( 0.3333333 0.5773503 0.1057458), wk = 0.0028736 k( 333) = ( 0.3333333 0.5773503 0.1174953), wk = 0.0028736 k( 334) = ( 0.3333333 0.5773503 0.1292449), wk = 0.0028736 k( 335) = ( 0.3333333 0.5773503 0.1409944), wk = 0.0028736 k( 336) = ( 0.3333333 0.5773503 0.1527439), wk = 0.0028736 k( 337) = ( 0.3333333 0.5773503 0.1644935), wk = 0.0028736 k( 338) = ( 0.3333333 0.5773503 0.1762430), wk = 0.0028736 k( 339) = ( 0.3333333 0.5773503 0.1879925), wk = 0.0028736 k( 340) = ( 0.3333333 0.5773503 0.1997421), wk = 0.0028736 k( 341) = ( 0.3333333 0.5773503 0.2114916), wk = 0.0028736 k( 342) = ( 0.3333333 0.5773503 0.2232411), wk = 0.0028736 k( 343) = ( 0.3333333 0.5773503 0.2349907), wk = 0.0028736 k( 344) = ( 0.3333333 0.5773503 0.2467402), wk = 0.0028736 k( 345) = ( 0.3333333 0.5773503 0.2584897), wk = 0.0028736 k( 346) = ( 0.3333333 0.5773503 0.2702393), wk = 0.0028736 k( 347) = ( 0.3333333 0.5773503 0.2819888), wk = 0.0028736 k( 348) = ( 0.3333333 0.5773503 0.2937383), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0104167 0.0000000 0.0000000), wk = 0.0028736 k( 3) = ( 0.0208333 -0.0000000 0.0000000), wk = 0.0028736 k( 4) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0028736 k( 5) = ( 0.0416667 -0.0000000 0.0000000), wk = 0.0028736 k( 6) = ( 0.0520833 -0.0000000 0.0000000), wk = 0.0028736 k( 7) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0028736 k( 8) = ( 0.0729167 0.0000000 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0028736 k( 10) = ( 0.0937500 0.0000000 -0.0000000), wk = 0.0028736 k( 11) = ( 0.1041667 -0.0000000 -0.0000000), wk = 0.0028736 k( 12) = ( 0.1145833 -0.0000000 -0.0000000), wk = 0.0028736 k( 13) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0028736 k( 14) = ( 0.1354167 -0.0000000 -0.0000000), wk = 0.0028736 k( 15) = ( 0.1458333 0.0000000 0.0000000), wk = 0.0028736 k( 16) = ( 0.1562500 0.0000000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0028736 k( 18) = ( 0.1770833 -0.0000000 0.0000000), wk = 0.0028736 k( 19) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0028736 k( 20) = ( 0.1979167 0.0000000 0.0000000), wk = 0.0028736 k( 21) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0028736 k( 22) = ( 0.2187500 0.0000000 0.0000000), wk = 0.0028736 k( 23) = ( 0.2291667 0.0000000 0.0000000), wk = 0.0028736 k( 24) = ( 0.2395833 -0.0000000 0.0000000), wk = 0.0028736 k( 25) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0028736 k( 26) = ( 0.2604167 0.0000000 -0.0000000), wk = 0.0028736 k( 27) = ( 0.2708333 -0.0000000 0.0000000), wk = 0.0028736 k( 28) = ( 0.2812500 -0.0000000 -0.0000000), wk = 0.0028736 k( 29) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0028736 k( 30) = ( 0.3020833 -0.0000000 -0.0000000), wk = 0.0028736 k( 31) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0028736 k( 32) = ( 0.3229167 0.0000000 0.0000000), wk = 0.0028736 k( 33) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0028736 k( 34) = ( 0.3437500 -0.0000000 0.0000000), wk = 0.0028736 k( 35) = ( 0.3541667 0.0000000 0.0000000), wk = 0.0028736 k( 36) = ( 0.3645833 0.0000000 -0.0000000), wk = 0.0028736 k( 37) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0028736 k( 38) = ( 0.3854167 0.0000000 0.0000000), wk = 0.0028736 k( 39) = ( 0.3958333 -0.0000000 0.0000000), wk = 0.0028736 k( 40) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0028736 k( 41) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0028736 k( 42) = ( 0.4270833 -0.0000000 -0.0000000), wk = 0.0028736 k( 43) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0028736 k( 44) = ( 0.4479167 0.0000000 0.0000000), wk = 0.0028736 k( 45) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0028736 k( 46) = ( 0.4687500 -0.0000000 0.0000000), wk = 0.0028736 k( 47) = ( 0.4791667 -0.0000000 -0.0000000), wk = 0.0028736 k( 48) = ( 0.4895833 -0.0000000 -0.0000000), wk = 0.0028736 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 51) = ( 0.4940476 0.0119048 -0.0000000), wk = 0.0028736 k( 52) = ( 0.4880952 0.0238095 -0.0000000), wk = 0.0028736 k( 53) = ( 0.4821429 0.0357143 -0.0000000), wk = 0.0028736 k( 54) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0028736 k( 55) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0028736 k( 56) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0028736 k( 57) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0028736 k( 58) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0028736 k( 59) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0028736 k( 60) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0028736 k( 61) = ( 0.4345238 0.1309524 -0.0000000), wk = 0.0028736 k( 62) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0028736 k( 63) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0028736 k( 64) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0028736 k( 65) = ( 0.4107143 0.1785714 0.0000000), wk = 0.0028736 k( 66) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0028736 k( 67) = ( 0.3988095 0.2023810 -0.0000000), wk = 0.0028736 k( 68) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0028736 k( 69) = ( 0.3869048 0.2261905 0.0000000), wk = 0.0028736 k( 70) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0028736 k( 71) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0028736 k( 72) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0028736 k( 73) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0028736 k( 74) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3511905 0.2976190 0.0000000), wk = 0.0028736 k( 76) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0028736 k( 77) = ( 0.3392857 0.3214286 0.0000000), wk = 0.0028736 k( 78) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028736 k( 80) = ( 0.3273810 0.3273810 -0.0000000), wk = 0.0028736 k( 81) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0028736 k( 82) = ( 0.3154762 0.3154762 -0.0000000), wk = 0.0028736 k( 83) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0028736 k( 84) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0028736 k( 85) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0028736 k( 86) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0028736 k( 87) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0028736 k( 88) = ( 0.2797619 0.2797619 0.0000000), wk = 0.0028736 k( 89) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0028736 k( 90) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0028736 k( 91) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0028736 k( 92) = ( 0.2559524 0.2559524 0.0000000), wk = 0.0028736 k( 93) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028736 k( 94) = ( 0.2440476 0.2440476 0.0000000), wk = 0.0028736 k( 95) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0028736 k( 96) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0028736 k( 97) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0028736 k( 98) = ( 0.2202381 0.2202381 -0.0000000), wk = 0.0028736 k( 99) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0028736 k( 100) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0028736 k( 101) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0028736 k( 102) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0028736 k( 103) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0028736 k( 104) = ( 0.1845238 0.1845238 0.0000000), wk = 0.0028736 k( 105) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0028736 k( 106) = ( 0.1726190 0.1726190 0.0000000), wk = 0.0028736 k( 107) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0028736 k( 108) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0028736 k( 109) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0028736 k( 110) = ( 0.1488095 0.1488095 -0.0000000), wk = 0.0028736 k( 111) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0028736 k( 112) = ( 0.1369048 0.1369048 0.0000000), wk = 0.0028736 k( 113) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0028736 k( 114) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028736 k( 115) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0028736 k( 116) = ( 0.1130952 0.1130952 0.0000000), wk = 0.0028736 k( 117) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0028736 k( 118) = ( 0.1011905 0.1011905 0.0000000), wk = 0.0028736 k( 119) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0028736 k( 120) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0028736 k( 122) = ( 0.0773810 0.0773810 0.0000000), wk = 0.0028736 k( 123) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0028736 k( 124) = ( 0.0654762 0.0654762 -0.0000000), wk = 0.0028736 k( 125) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0028736 k( 126) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0028736 k( 127) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0028736 k( 128) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0028736 k( 129) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0028736 k( 130) = ( 0.0297619 0.0297619 0.0000000), wk = 0.0028736 k( 131) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0028736 k( 132) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0028736 k( 133) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0028736 k( 134) = ( 0.0059524 0.0059524 -0.0000000), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0028736 k( 160) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0028736 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 163) = ( 0.0104167 0.0000000 0.5000000), wk = 0.0028736 k( 164) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0028736 k( 165) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0028736 k( 166) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0028736 k( 167) = ( 0.0520833 -0.0000000 0.5000000), wk = 0.0028736 k( 168) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0028736 k( 169) = ( 0.0729167 0.0000000 0.5000000), wk = 0.0028736 k( 170) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0028736 k( 171) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0028736 k( 172) = ( 0.1041667 -0.0000000 0.5000000), wk = 0.0028736 k( 173) = ( 0.1145833 -0.0000000 0.5000000), wk = 0.0028736 k( 174) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0028736 k( 175) = ( 0.1354167 -0.0000000 0.5000000), wk = 0.0028736 k( 176) = ( 0.1458333 0.0000000 0.5000000), wk = 0.0028736 k( 177) = ( 0.1562500 0.0000000 0.5000000), wk = 0.0028736 k( 178) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0028736 k( 179) = ( 0.1770833 -0.0000000 0.5000000), wk = 0.0028736 k( 180) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0028736 k( 181) = ( 0.1979167 0.0000000 0.5000000), wk = 0.0028736 k( 182) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0028736 k( 183) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0028736 k( 184) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0028736 k( 185) = ( 0.2395833 -0.0000000 0.5000000), wk = 0.0028736 k( 186) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028736 k( 187) = ( 0.2604167 0.0000000 0.5000000), wk = 0.0028736 k( 188) = ( 0.2708333 -0.0000000 0.5000000), wk = 0.0028736 k( 189) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0028736 k( 190) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0028736 k( 191) = ( 0.3020833 -0.0000000 0.5000000), wk = 0.0028736 k( 192) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0028736 k( 193) = ( 0.3229167 0.0000000 0.5000000), wk = 0.0028736 k( 194) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0028736 k( 195) = ( 0.3437500 -0.0000000 0.5000000), wk = 0.0028736 k( 196) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0028736 k( 197) = ( 0.3645833 0.0000000 0.5000000), wk = 0.0028736 k( 198) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0028736 k( 199) = ( 0.3854167 0.0000000 0.5000000), wk = 0.0028736 k( 200) = ( 0.3958333 -0.0000000 0.5000000), wk = 0.0028736 k( 201) = ( 0.4062500 -0.0000000 0.5000000), wk = 0.0028736 k( 202) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0028736 k( 203) = ( 0.4270833 -0.0000000 0.5000000), wk = 0.0028736 k( 204) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0028736 k( 205) = ( 0.4479167 0.0000000 0.5000000), wk = 0.0028736 k( 206) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0028736 k( 207) = ( 0.4687500 -0.0000000 0.5000000), wk = 0.0028736 k( 208) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0028736 k( 209) = ( 0.4895833 -0.0000000 0.5000000), wk = 0.0028736 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 211) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 212) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0028736 k( 213) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0028736 k( 214) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0028736 k( 215) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0028736 k( 216) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0028736 k( 217) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0028736 k( 218) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0028736 k( 219) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0028736 k( 220) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0028736 k( 221) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0028736 k( 222) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0028736 k( 223) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0028736 k( 224) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0028736 k( 225) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028736 k( 226) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0028736 k( 227) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0028736 k( 228) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0028736 k( 229) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0028736 k( 230) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0028736 k( 231) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0028736 k( 232) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0028736 k( 233) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0028736 k( 234) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0028736 k( 235) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0028736 k( 236) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0028736 k( 237) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0028736 k( 238) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0028736 k( 239) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 k( 240) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 k( 241) = ( 0.3273810 0.3273810 0.5000000), wk = 0.0028736 k( 242) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0028736 k( 243) = ( 0.3154762 0.3154762 0.5000000), wk = 0.0028736 k( 244) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0028736 k( 245) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0028736 k( 246) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0028736 k( 247) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0028736 k( 248) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0028736 k( 249) = ( 0.2797619 0.2797619 0.5000000), wk = 0.0028736 k( 250) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0028736 k( 251) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0028736 k( 252) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0028736 k( 253) = ( 0.2559524 0.2559524 0.5000000), wk = 0.0028736 k( 254) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028736 k( 255) = ( 0.2440476 0.2440476 0.5000000), wk = 0.0028736 k( 256) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0028736 k( 257) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0028736 k( 258) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0028736 k( 259) = ( 0.2202381 0.2202381 0.5000000), wk = 0.0028736 k( 260) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0028736 k( 261) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0028736 k( 262) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0028736 k( 263) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0028736 k( 264) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0028736 k( 265) = ( 0.1845238 0.1845238 0.5000000), wk = 0.0028736 k( 266) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0028736 k( 267) = ( 0.1726190 0.1726190 0.5000000), wk = 0.0028736 k( 268) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028736 k( 269) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0028736 k( 270) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0028736 k( 271) = ( 0.1488095 0.1488095 0.5000000), wk = 0.0028736 k( 272) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0028736 k( 273) = ( 0.1369048 0.1369048 0.5000000), wk = 0.0028736 k( 274) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0028736 k( 275) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0028736 k( 276) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0028736 k( 277) = ( 0.1130952 0.1130952 0.5000000), wk = 0.0028736 k( 278) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0028736 k( 279) = ( 0.1011905 0.1011905 0.5000000), wk = 0.0028736 k( 280) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0028736 k( 281) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0028736 k( 282) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028736 k( 283) = ( 0.0773810 0.0773810 0.5000000), wk = 0.0028736 k( 284) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0028736 k( 285) = ( 0.0654762 0.0654762 0.5000000), wk = 0.0028736 k( 286) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0028736 k( 287) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0028736 k( 288) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0028736 k( 289) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0028736 k( 290) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0028736 k( 291) = ( 0.0297619 0.0297619 0.5000000), wk = 0.0028736 k( 292) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0028736 k( 293) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0028736 k( 294) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0028736 k( 295) = ( 0.0059524 0.0059524 0.5000000), wk = 0.0028736 k( 296) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 297) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 298) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0028736 k( 299) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0028736 k( 300) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0028736 k( 301) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0028736 k( 302) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0028736 k( 303) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0028736 k( 304) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0028736 k( 305) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0028736 k( 306) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0028736 k( 307) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0028736 k( 308) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0028736 k( 309) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0028736 k( 310) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0028736 k( 311) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0028736 k( 312) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0028736 k( 313) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0028736 k( 314) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0028736 k( 315) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0028736 k( 316) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0028736 k( 317) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0028736 k( 318) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0028736 k( 319) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0028736 k( 320) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0028736 k( 321) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0028736 k( 322) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 323) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028736 k( 324) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0028736 k( 325) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0028736 k( 326) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0028736 k( 327) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0028736 k( 328) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0028736 k( 329) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0028736 k( 330) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0028736 k( 331) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0028736 k( 332) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0028736 k( 333) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0028736 k( 334) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0028736 k( 335) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0028736 k( 336) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0028736 k( 337) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0028736 k( 338) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0028736 k( 339) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0028736 k( 340) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0028736 k( 341) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0028736 k( 342) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0028736 k( 343) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0028736 k( 344) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0028736 k( 345) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0028736 k( 346) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0028736 k( 347) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0028736 k( 348) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 Dense grid: 233521 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 53079 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 372, 36) NL pseudopotentials 0.20 Mb ( 186, 70) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.05 Mb ( 6489) G-vector shells 0.02 Mb ( 2859) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.82 Mb ( 372, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.08 Mb ( 70, 2, 36) The potential is recalculated from file : ./MgxBeAsx2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.4 secs Computing kpt #: 12 total cpu time spent up to now is 5.7 secs Computing kpt #: 13 total cpu time spent up to now is 6.0 secs Computing kpt #: 14 total cpu time spent up to now is 6.3 secs Computing kpt #: 15 total cpu time spent up to now is 6.7 secs Computing kpt #: 16 total cpu time spent up to now is 7.0 secs Computing kpt #: 17 total cpu time spent up to now is 7.3 secs Computing kpt #: 18 total cpu time spent up to now is 7.7 secs Computing kpt #: 19 total cpu time spent up to now is 8.0 secs Computing kpt #: 20 total cpu time spent up to now is 8.4 secs Computing kpt #: 21 total cpu time spent up to now is 8.9 secs Computing kpt #: 22 total cpu time spent up to now is 9.3 secs Computing kpt #: 23 total cpu time spent up to now is 9.6 secs Computing kpt #: 24 total cpu time spent up to now is 10.0 secs Computing kpt #: 25 total cpu time spent up to now is 10.4 secs Computing kpt #: 26 total cpu time spent up to now is 10.7 secs Computing kpt #: 27 total cpu time spent up to now is 11.0 secs Computing kpt #: 28 total cpu time spent up to now is 11.4 secs Computing kpt #: 29 total cpu time spent up to now is 11.7 secs Computing kpt #: 30 total cpu time spent up to now is 12.1 secs Computing kpt #: 31 total cpu time spent up to now is 12.4 secs Computing kpt #: 32 total cpu time spent up to now is 12.8 secs Computing kpt #: 33 total cpu time spent up to now is 13.1 secs Computing kpt #: 34 total cpu time spent up to now is 13.5 secs Computing kpt #: 35 total cpu time spent up to now is 13.8 secs Computing kpt #: 36 total cpu time spent up to now is 14.2 secs Computing kpt #: 37 total cpu time spent up to now is 14.5 secs Computing kpt #: 38 total cpu time spent up to now is 14.9 secs Computing kpt #: 39 total cpu time spent up to now is 15.2 secs Computing kpt #: 40 total cpu time spent up to now is 15.5 secs Computing kpt #: 41 total cpu time spent up to now is 15.9 secs Computing kpt #: 42 total cpu time spent up to now is 16.2 secs Computing kpt #: 43 total cpu time spent up to now is 16.5 secs Computing kpt #: 44 total cpu time spent up to now is 16.8 secs Computing kpt #: 45 total cpu time spent up to now is 17.2 secs Computing kpt #: 46 total cpu time spent up to now is 17.5 secs Computing kpt #: 47 total cpu time spent up to now is 17.8 secs Computing kpt #: 48 total cpu time spent up to now is 18.1 secs Computing kpt #: 49 total cpu time spent up to now is 18.4 secs Computing kpt #: 50 total cpu time spent up to now is 18.8 secs Computing kpt #: 51 total cpu time spent up to now is 19.1 secs Computing kpt #: 52 total cpu time spent up to now is 19.4 secs Computing kpt #: 53 total cpu time spent up to now is 19.7 secs Computing kpt #: 54 total cpu time spent up to now is 20.1 secs Computing kpt #: 55 total cpu time spent up to now is 20.4 secs Computing kpt #: 56 total cpu time spent up to now is 20.7 secs Computing kpt #: 57 total cpu time spent up to now is 21.1 secs Computing kpt #: 58 total cpu time spent up to now is 21.4 secs Computing kpt #: 59 total cpu time spent up to now is 21.8 secs Computing kpt #: 60 total cpu time spent up to now is 22.2 secs Computing kpt #: 61 total cpu time spent up to now is 22.5 secs Computing kpt #: 62 total cpu time spent up to now is 22.9 secs Computing kpt #: 63 total cpu time spent up to now is 23.2 secs Computing kpt #: 64 total cpu time spent up to now is 23.6 secs Computing kpt #: 65 total cpu time spent up to now is 23.9 secs Computing kpt #: 66 total cpu time spent up to now is 24.3 secs Computing kpt #: 67 total cpu time spent up to now is 24.6 secs Computing kpt #: 68 total cpu time spent up to now is 25.0 secs Computing kpt #: 69 total cpu time spent up to now is 25.3 secs Computing kpt #: 70 total cpu time spent up to now is 25.7 secs Computing kpt #: 71 total cpu time spent up to now is 26.0 secs Computing kpt #: 72 total cpu time spent up to now is 26.4 secs Computing kpt #: 73 total cpu time spent up to now is 26.7 secs Computing kpt #: 74 total cpu time spent up to now is 27.1 secs Computing kpt #: 75 total cpu time spent up to now is 27.4 secs Computing kpt #: 76 total cpu time spent up to now is 27.8 secs Computing kpt #: 77 total cpu time spent up to now is 28.2 secs Computing kpt #: 78 total cpu time spent up to now is 28.6 secs Computing kpt #: 79 total cpu time spent up to now is 29.0 secs Computing kpt #: 80 total cpu time spent up to now is 29.4 secs Computing kpt #: 81 total cpu time spent up to now is 29.8 secs Computing kpt #: 82 total cpu time spent up to now is 30.1 secs Computing kpt #: 83 total cpu time spent up to now is 30.5 secs Computing kpt #: 84 total cpu time spent up to now is 31.0 secs Computing kpt #: 85 total cpu time spent up to now is 31.4 secs Computing kpt #: 86 total cpu time spent up to now is 31.9 secs Computing kpt #: 87 total cpu time spent up to now is 32.4 secs Computing kpt #: 88 total cpu time spent up to now is 32.8 secs Computing kpt #: 89 total cpu time spent up to now is 33.1 secs Computing kpt #: 90 total cpu time spent up to now is 33.5 secs Computing kpt #: 91 total cpu time spent up to now is 33.8 secs Computing kpt #: 92 total cpu time spent up to now is 34.1 secs Computing kpt #: 93 total cpu time spent up to now is 34.5 secs Computing kpt #: 94 total cpu time spent up to now is 34.8 secs Computing kpt #: 95 total cpu time spent up to now is 35.2 secs Computing kpt #: 96 total cpu time spent up to now is 35.5 secs Computing kpt #: 97 total cpu time spent up to now is 35.8 secs Computing kpt #: 98 total cpu time spent up to now is 36.2 secs Computing kpt #: 99 total cpu time spent up to now is 36.5 secs Computing kpt #: 100 total cpu time spent up to now is 36.8 secs Computing kpt #: 101 total cpu time spent up to now is 37.2 secs Computing kpt #: 102 total cpu time spent up to now is 37.5 secs Computing kpt #: 103 total cpu time spent up to now is 37.8 secs Computing kpt #: 104 total cpu time spent up to now is 38.2 secs Computing kpt #: 105 total cpu time spent up to now is 38.5 secs Computing kpt #: 106 total cpu time spent up to now is 38.8 secs Computing kpt #: 107 total cpu time spent up to now is 39.1 secs Computing kpt #: 108 total cpu time spent up to now is 39.5 secs Computing kpt #: 109 total cpu time spent up to now is 39.8 secs Computing kpt #: 110 total cpu time spent up to now is 40.1 secs Computing kpt #: 111 total cpu time spent up to now is 40.4 secs Computing kpt #: 112 total cpu time spent up to now is 40.8 secs Computing kpt #: 113 total cpu time spent up to now is 41.2 secs Computing kpt #: 114 total cpu time spent up to now is 41.5 secs Computing kpt #: 115 total cpu time spent up to now is 41.9 secs Computing kpt #: 116 total cpu time spent up to now is 42.3 secs Computing kpt #: 117 total cpu time spent up to now is 42.6 secs Computing kpt #: 118 total cpu time spent up to now is 43.0 secs Computing kpt #: 119 total cpu time spent up to now is 43.3 secs Computing kpt #: 120 total cpu time spent up to now is 43.7 secs Computing kpt #: 121 total cpu time spent up to now is 44.0 secs Computing kpt #: 122 total cpu time spent up to now is 44.4 secs Computing kpt #: 123 total cpu time spent up to now is 44.7 secs Computing kpt #: 124 total cpu time spent up to now is 45.1 secs Computing kpt #: 125 total cpu time spent up to now is 45.4 secs Computing kpt #: 126 total cpu time spent up to now is 45.8 secs Computing kpt #: 127 total cpu time spent up to now is 46.1 secs Computing kpt #: 128 total cpu time spent up to now is 46.4 secs Computing kpt #: 129 total cpu time spent up to now is 46.7 secs Computing kpt #: 130 total cpu time spent up to now is 47.1 secs Computing kpt #: 131 total cpu time spent up to now is 47.4 secs Computing kpt #: 132 total cpu time spent up to now is 47.7 secs Computing kpt #: 133 total cpu time spent up to now is 48.1 secs Computing kpt #: 134 total cpu time spent up to now is 48.4 secs Computing kpt #: 135 total cpu time spent up to now is 48.8 secs Computing kpt #: 136 total cpu time spent up to now is 49.1 secs Computing kpt #: 137 total cpu time spent up to now is 49.4 secs Computing kpt #: 138 total cpu time spent up to now is 49.7 secs Computing kpt #: 139 total cpu time spent up to now is 50.1 secs Computing kpt #: 140 total cpu time spent up to now is 50.4 secs Computing kpt #: 141 total cpu time spent up to now is 50.7 secs Computing kpt #: 142 total cpu time spent up to now is 51.1 secs Computing kpt #: 143 total cpu time spent up to now is 51.4 secs Computing kpt #: 144 total cpu time spent up to now is 51.7 secs Computing kpt #: 145 total cpu time spent up to now is 52.1 secs Computing kpt #: 146 total cpu time spent up to now is 52.4 secs Computing kpt #: 147 total cpu time spent up to now is 52.7 secs Computing kpt #: 148 total cpu time spent up to now is 53.1 secs Computing kpt #: 149 total cpu time spent up to now is 53.4 secs Computing kpt #: 150 total cpu time spent up to now is 53.8 secs Computing kpt #: 151 total cpu time spent up to now is 54.1 secs Computing kpt #: 152 total cpu time spent up to now is 54.4 secs Computing kpt #: 153 total cpu time spent up to now is 54.7 secs Computing kpt #: 154 total cpu time spent up to now is 55.1 secs Computing kpt #: 155 total cpu time spent up to now is 55.4 secs Computing kpt #: 156 total cpu time spent up to now is 55.7 secs Computing kpt #: 157 total cpu time spent up to now is 56.1 secs Computing kpt #: 158 total cpu time spent up to now is 56.4 secs Computing kpt #: 159 total cpu time spent up to now is 56.7 secs Computing kpt #: 160 total cpu time spent up to now is 57.1 secs Computing kpt #: 161 total cpu time spent up to now is 57.4 secs Computing kpt #: 162 total cpu time spent up to now is 57.7 secs Computing kpt #: 163 total cpu time spent up to now is 58.0 secs Computing kpt #: 164 total cpu time spent up to now is 58.3 secs Computing kpt #: 165 total cpu time spent up to now is 58.7 secs Computing kpt #: 166 total cpu time spent up to now is 59.0 secs Computing kpt #: 167 total cpu time spent up to now is 59.4 secs Computing kpt #: 168 total cpu time spent up to now is 59.7 secs Computing kpt #: 169 total cpu time spent up to now is 60.0 secs Computing kpt #: 170 total cpu time spent up to now is 60.4 secs Computing kpt #: 171 total cpu time spent up to now is 60.7 secs Computing kpt #: 172 total cpu time spent up to now is 61.1 secs Computing kpt #: 173 total cpu time spent up to now is 61.5 secs Computing kpt #: 174 total cpu time spent up to now is 61.8 secs Computing kpt #: 175 total cpu time spent up to now is 62.2 secs Computing kpt #: 176 total cpu time spent up to now is 62.5 secs Computing kpt #: 177 total cpu time spent up to now is 63.0 secs Computing kpt #: 178 total cpu time spent up to now is 63.5 secs Computing kpt #: 179 total cpu time spent up to now is 64.0 secs Computing kpt #: 180 total cpu time spent up to now is 64.4 secs Computing kpt #: 181 total cpu time spent up to now is 64.9 secs Computing kpt #: 182 total cpu time spent up to now is 65.3 secs Computing kpt #: 183 total cpu time spent up to now is 65.7 secs Computing kpt #: 184 total cpu time spent up to now is 66.1 secs Computing kpt #: 185 total cpu time spent up to now is 66.5 secs Computing kpt #: 186 total cpu time spent up to now is 66.9 secs Computing kpt #: 187 total cpu time spent up to now is 67.2 secs Computing kpt #: 188 total cpu time spent up to now is 67.6 secs Computing kpt #: 189 total cpu time spent up to now is 67.9 secs Computing kpt #: 190 total cpu time spent up to now is 68.2 secs Computing kpt #: 191 total cpu time spent up to now is 68.5 secs Computing kpt #: 192 total cpu time spent up to now is 68.8 secs Computing kpt #: 193 total cpu time spent up to now is 69.1 secs Computing kpt #: 194 total cpu time spent up to now is 69.3 secs Computing kpt #: 195 total cpu time spent up to now is 69.6 secs Computing kpt #: 196 total cpu time spent up to now is 69.9 secs Computing kpt #: 197 total cpu time spent up to now is 70.2 secs Computing kpt #: 198 total cpu time spent up to now is 70.4 secs Computing kpt #: 199 total cpu time spent up to now is 70.7 secs Computing kpt #: 200 total cpu time spent up to now is 71.0 secs Computing kpt #: 201 total cpu time spent up to now is 71.3 secs Computing kpt #: 202 total cpu time spent up to now is 71.5 secs Computing kpt #: 203 total cpu time spent up to now is 71.8 secs Computing kpt #: 204 total cpu time spent up to now is 72.1 secs Computing kpt #: 205 total cpu time spent up to now is 72.3 secs Computing kpt #: 206 total cpu time spent up to now is 72.6 secs Computing kpt #: 207 total cpu time spent up to now is 72.9 secs Computing kpt #: 208 total cpu time spent up to now is 73.1 secs Computing kpt #: 209 total cpu time spent up to now is 73.4 secs Computing kpt #: 210 total cpu time spent up to now is 73.6 secs Computing kpt #: 211 total cpu time spent up to now is 73.9 secs Computing kpt #: 212 total cpu time spent up to now is 74.2 secs Computing kpt #: 213 total cpu time spent up to now is 74.4 secs Computing kpt #: 214 total cpu time spent up to now is 74.7 secs Computing kpt #: 215 total cpu time spent up to now is 74.9 secs Computing kpt #: 216 total cpu time spent up to now is 75.2 secs Computing kpt #: 217 total cpu time spent up to now is 75.5 secs Computing kpt #: 218 total cpu time spent up to now is 75.8 secs Computing kpt #: 219 total cpu time spent up to now is 76.0 secs Computing kpt #: 220 total cpu time spent up to now is 76.3 secs Computing kpt #: 221 total cpu time spent up to now is 76.6 secs Computing kpt #: 222 total cpu time spent up to now is 76.9 secs Computing kpt #: 223 total cpu time spent up to now is 77.2 secs Computing kpt #: 224 total cpu time spent up to now is 77.5 secs Computing kpt #: 225 total cpu time spent up to now is 77.9 secs Computing kpt #: 226 total cpu time spent up to now is 78.2 secs Computing kpt #: 227 total cpu time spent up to now is 78.5 secs Computing kpt #: 228 total cpu time spent up to now is 78.9 secs Computing kpt #: 229 total cpu time spent up to now is 79.2 secs Computing kpt #: 230 total cpu time spent up to now is 79.5 secs Computing kpt #: 231 total cpu time spent up to now is 79.8 secs Computing kpt #: 232 total cpu time spent up to now is 80.1 secs Computing kpt #: 233 total cpu time spent up to now is 80.4 secs Computing kpt #: 234 total cpu time spent up to now is 80.8 secs Computing kpt #: 235 total cpu time spent up to now is 81.1 secs Computing kpt #: 236 total cpu time spent up to now is 81.4 secs Computing kpt #: 237 total cpu time spent up to now is 81.7 secs Computing kpt #: 238 total cpu time spent up to now is 82.0 secs Computing kpt #: 239 total cpu time spent up to now is 82.3 secs Computing kpt #: 240 total cpu time spent up to now is 82.6 secs Computing kpt #: 241 total cpu time spent up to now is 82.9 secs Computing kpt #: 242 total cpu time spent up to now is 83.2 secs Computing kpt #: 243 total cpu time spent up to now is 83.5 secs Computing kpt #: 244 total cpu time spent up to now is 83.8 secs Computing kpt #: 245 total cpu time spent up to now is 84.1 secs Computing kpt #: 246 total cpu time spent up to now is 84.4 secs Computing kpt #: 247 total cpu time spent up to now is 84.7 secs Computing kpt #: 248 total cpu time spent up to now is 85.0 secs Computing kpt #: 249 total cpu time spent up to now is 85.3 secs Computing kpt #: 250 total cpu time spent up to now is 85.6 secs Computing kpt #: 251 total cpu time spent up to now is 85.9 secs Computing kpt #: 252 total cpu time spent up to now is 86.3 secs Computing kpt #: 253 total cpu time spent up to now is 86.6 secs Computing kpt #: 254 total cpu time spent up to now is 86.9 secs Computing kpt #: 255 total cpu time spent up to now is 87.2 secs Computing kpt #: 256 total cpu time spent up to now is 87.6 secs Computing kpt #: 257 total cpu time spent up to now is 87.9 secs Computing kpt #: 258 total cpu time spent up to now is 88.3 secs Computing kpt #: 259 total cpu time spent up to now is 88.7 secs Computing kpt #: 260 total cpu time spent up to now is 89.1 secs Computing kpt #: 261 total cpu time spent up to now is 89.5 secs Computing kpt #: 262 total cpu time spent up to now is 89.9 secs Computing kpt #: 263 total cpu time spent up to now is 90.4 secs Computing kpt #: 264 total cpu time spent up to now is 90.8 secs Computing kpt #: 265 total cpu time spent up to now is 91.3 secs Computing kpt #: 266 total cpu time spent up to now is 91.7 secs Computing kpt #: 267 total cpu time spent up to now is 92.1 secs Computing kpt #: 268 total cpu time spent up to now is 92.5 secs Computing kpt #: 269 total cpu time spent up to now is 92.8 secs Computing kpt #: 270 total cpu time spent up to now is 93.1 secs Computing kpt #: 271 total cpu time spent up to now is 93.4 secs Computing kpt #: 272 total cpu time spent up to now is 93.8 secs Computing kpt #: 273 total cpu time spent up to now is 94.1 secs Computing kpt #: 274 total cpu time spent up to now is 94.4 secs Computing kpt #: 275 total cpu time spent up to now is 94.7 secs Computing kpt #: 276 total cpu time spent up to now is 95.0 secs Computing kpt #: 277 total cpu time spent up to now is 95.4 secs Computing kpt #: 278 total cpu time spent up to now is 95.7 secs Computing kpt #: 279 total cpu time spent up to now is 96.0 secs Computing kpt #: 280 total cpu time spent up to now is 96.3 secs Computing kpt #: 281 total cpu time spent up to now is 96.6 secs Computing kpt #: 282 total cpu time spent up to now is 97.0 secs Computing kpt #: 283 total cpu time spent up to now is 97.3 secs Computing kpt #: 284 total cpu time spent up to now is 97.6 secs Computing kpt #: 285 total cpu time spent up to now is 97.9 secs Computing kpt #: 286 total cpu time spent up to now is 98.2 secs Computing kpt #: 287 total cpu time spent up to now is 98.6 secs Computing kpt #: 288 total cpu time spent up to now is 98.9 secs Computing kpt #: 289 total cpu time spent up to now is 99.2 secs Computing kpt #: 290 total cpu time spent up to now is 99.6 secs Computing kpt #: 291 total cpu time spent up to now is 99.9 secs Computing kpt #: 292 total cpu time spent up to now is 100.3 secs Computing kpt #: 293 total cpu time spent up to now is 100.6 secs Computing kpt #: 294 total cpu time spent up to now is 100.9 secs Computing kpt #: 295 total cpu time spent up to now is 101.3 secs Computing kpt #: 296 total cpu time spent up to now is 101.6 secs Computing kpt #: 297 total cpu time spent up to now is 101.8 secs Computing kpt #: 298 total cpu time spent up to now is 102.1 secs Computing kpt #: 299 total cpu time spent up to now is 102.4 secs Computing kpt #: 300 total cpu time spent up to now is 102.6 secs Computing kpt #: 301 total cpu time spent up to now is 102.9 secs Computing kpt #: 302 total cpu time spent up to now is 103.1 secs Computing kpt #: 303 total cpu time spent up to now is 103.4 secs Computing kpt #: 304 total cpu time spent up to now is 103.7 secs Computing kpt #: 305 total cpu time spent up to now is 104.0 secs Computing kpt #: 306 total cpu time spent up to now is 104.2 secs Computing kpt #: 307 total cpu time spent up to now is 104.5 secs Computing kpt #: 308 total cpu time spent up to now is 104.8 secs Computing kpt #: 309 total cpu time spent up to now is 105.1 secs Computing kpt #: 310 total cpu time spent up to now is 105.4 secs Computing kpt #: 311 total cpu time spent up to now is 105.7 secs Computing kpt #: 312 total cpu time spent up to now is 106.0 secs Computing kpt #: 313 total cpu time spent up to now is 106.4 secs Computing kpt #: 314 total cpu time spent up to now is 106.7 secs Computing kpt #: 315 total cpu time spent up to now is 107.1 secs Computing kpt #: 316 total cpu time spent up to now is 107.4 secs Computing kpt #: 317 total cpu time spent up to now is 107.7 secs Computing kpt #: 318 total cpu time spent up to now is 108.0 secs Computing kpt #: 319 total cpu time spent up to now is 108.3 secs Computing kpt #: 320 total cpu time spent up to now is 108.7 secs Computing kpt #: 321 total cpu time spent up to now is 109.0 secs Computing kpt #: 322 total cpu time spent up to now is 109.3 secs Computing kpt #: 323 total cpu time spent up to now is 109.7 secs Computing kpt #: 324 total cpu time spent up to now is 110.2 secs Computing kpt #: 325 total cpu time spent up to now is 110.6 secs Computing kpt #: 326 total cpu time spent up to now is 111.1 secs Computing kpt #: 327 total cpu time spent up to now is 111.6 secs Computing kpt #: 328 total cpu time spent up to now is 112.0 secs Computing kpt #: 329 total cpu time spent up to now is 112.5 secs Computing kpt #: 330 total cpu time spent up to now is 113.0 secs Computing kpt #: 331 total cpu time spent up to now is 113.6 secs Computing kpt #: 332 total cpu time spent up to now is 114.0 secs Computing kpt #: 333 total cpu time spent up to now is 114.5 secs Computing kpt #: 334 total cpu time spent up to now is 114.9 secs Computing kpt #: 335 total cpu time spent up to now is 115.3 secs Computing kpt #: 336 total cpu time spent up to now is 115.6 secs Computing kpt #: 337 total cpu time spent up to now is 116.0 secs Computing kpt #: 338 total cpu time spent up to now is 116.4 secs Computing kpt #: 339 total cpu time spent up to now is 116.8 secs Computing kpt #: 340 total cpu time spent up to now is 117.2 secs Computing kpt #: 341 total cpu time spent up to now is 117.7 secs Computing kpt #: 342 total cpu time spent up to now is 118.1 secs Computing kpt #: 343 total cpu time spent up to now is 118.4 secs Computing kpt #: 344 total cpu time spent up to now is 118.7 secs Computing kpt #: 345 total cpu time spent up to now is 119.0 secs Computing kpt #: 346 total cpu time spent up to now is 119.3 secs Computing kpt #: 347 total cpu time spent up to now is 119.6 secs Computing kpt #: 348 total cpu time spent up to now is 119.9 secs ethr = 3.57E-08, avg # of iterations = 17.5 total cpu time spent up to now is 119.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6593 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6891 -5.6891 -4.0207 -4.0207 0.6111 0.6111 5.6404 5.6404 5.7938 5.7938 6.8515 6.8515 7.3232 7.3232 7.4934 7.4934 9.7328 9.7328 9.8460 9.8460 10.6590 10.6590 10.6632 10.6632 k = 0.0104 0.0060-0.0000 ( 6593 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6880 -5.6880 -4.0199 -4.0199 0.6124 0.6124 5.6331 5.6331 5.7860 5.7860 6.8533 6.8533 7.3176 7.3176 7.4862 7.4862 9.7359 9.7359 9.8506 9.8506 10.6539 10.6539 10.6655 10.6655 k = 0.0208 0.0120-0.0000 ( 6589 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1410 -36.1410 -36.1407 -36.1407 -5.6847 -5.6847 -4.0175 -4.0175 0.6163 0.6163 5.6102 5.6102 5.7645 5.7645 6.8579 6.8579 7.2997 7.2997 7.4668 7.4668 9.7449 9.7449 9.8642 9.8642 10.6374 10.6374 10.6775 10.6775 k = 0.0312 0.0180-0.0000 ( 6595 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6793 -5.6793 -4.0135 -4.0135 0.6227 0.6227 5.5694 5.5694 5.7338 5.7338 6.8631 6.8631 7.2665 7.2665 7.4405 7.4405 9.7589 9.7589 9.8860 9.8860 10.6159 10.6159 10.6979 10.6979 k = 0.0417 0.0241-0.0000 ( 6601 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6716 -5.6716 -4.0080 -4.0080 0.6318 0.6318 5.5086 5.5086 5.6988 5.6988 6.8652 6.8652 7.2161 7.2161 7.4129 7.4129 9.7766 9.7766 9.9142 9.9142 10.5924 10.5924 10.7264 10.7264 k = 0.0521 0.0301-0.0000 ( 6593 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6618 -5.6618 -4.0009 -4.0009 0.6434 0.6434 5.4288 5.4288 5.6616 5.6616 6.8585 6.8585 7.1523 7.1523 7.3867 7.3867 9.7969 9.7969 9.9463 9.9463 10.5685 10.5685 10.7631 10.7631 k = 0.0625 0.0361-0.0000 ( 6601 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1407 -36.1407 -5.6498 -5.6498 -3.9922 -3.9922 0.6576 0.6576 5.3331 5.3331 5.6225 5.6225 6.8331 6.8331 7.0867 7.0867 7.3613 7.3613 9.8188 9.8188 9.9789 9.9789 10.5463 10.5463 10.8078 10.8078 k = 0.0729 0.0421-0.0000 ( 6603 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1407 -36.1407 -5.6357 -5.6357 -3.9821 -3.9821 0.6744 0.6744 5.2246 5.2246 5.5809 5.5809 6.7764 6.7764 7.0343 7.0343 7.3355 7.3355 9.8416 9.8416 10.0075 10.0075 10.5284 10.5284 10.8603 10.8603 k = 0.0833 0.0481-0.0000 ( 6595 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1407 -36.1407 -5.6194 -5.6194 -3.9704 -3.9704 0.6938 0.6938 5.1062 5.1062 5.5366 5.5366 6.6857 6.6857 7.0005 7.0005 7.3081 7.3081 9.8648 9.8648 10.0268 10.0268 10.5181 10.5181 10.9202 10.9202 k = 0.0938 0.0541-0.0000 ( 6607 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1408 -36.1408 -5.6010 -5.6010 -3.9573 -3.9573 0.7157 0.7157 4.9800 4.9800 5.4895 5.4895 6.5710 6.5710 6.9772 6.9772 7.2786 7.2786 9.8878 9.8878 10.0331 10.0331 10.5175 10.5175 10.9872 10.9872 k = 0.1042 0.0601-0.0000 ( 6613 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1413 -36.1413 -36.1408 -36.1408 -5.5804 -5.5804 -3.9429 -3.9429 0.7401 0.7401 4.8478 4.8478 5.4400 5.4400 6.4418 6.4418 6.9567 6.9567 7.2468 7.2468 9.9091 9.9091 10.0256 10.0256 10.5266 10.5266 11.0604 11.0604 k = 0.1146 0.0662-0.0000 ( 6615 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1413 -36.1413 -36.1408 -36.1408 -5.5578 -5.5578 -3.9270 -3.9270 0.7671 0.7671 4.7108 4.7108 5.3883 5.3883 6.3037 6.3037 6.9348 6.9348 7.2126 7.2126 9.9242 9.9242 10.0101 10.0101 10.5423 10.5423 11.1390 11.1390 k = 0.1250 0.0722-0.0000 ( 6617 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1414 -36.1414 -36.1408 -36.1408 -5.5331 -5.5331 -3.9099 -3.9099 0.7966 0.7966 4.5703 4.5703 5.3347 5.3347 6.1597 6.1597 6.9097 6.9097 7.1759 7.1759 9.9193 9.9193 10.0032 10.0032 10.5607 10.5607 11.2216 11.2216 k = 0.1354 0.0782-0.0000 ( 6633 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1415 -36.1415 -36.1408 -36.1408 -5.5064 -5.5064 -3.8915 -3.8915 0.8286 0.8286 4.4272 4.4272 5.2795 5.2795 6.0118 6.0118 6.8807 6.8807 7.1369 7.1369 9.8871 9.8871 10.0152 10.0152 10.5787 10.5787 11.3064 11.3064 k = 0.1458 0.0842-0.0000 ( 6630 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1415 -36.1415 -36.1408 -36.1408 -5.4777 -5.4777 -3.8720 -3.8720 0.8631 0.8631 4.2823 4.2823 5.2232 5.2232 5.8614 5.8614 6.8475 6.8475 7.0955 7.0955 9.8402 9.8402 10.0355 10.0355 10.5945 10.5945 11.3909 11.3909 k = 0.1562 0.0902-0.0000 ( 6632 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1416 -36.1416 -36.1408 -36.1408 -5.4470 -5.4470 -3.8513 -3.8513 0.9001 0.9001 4.1363 4.1363 5.1659 5.1659 5.7094 5.7094 6.8099 6.8099 7.0521 7.0521 9.7865 9.7865 10.0577 10.0577 10.6080 10.6080 11.4717 11.4717 k = 0.1667 0.0962-0.0000 ( 6622 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1416 -36.1416 -36.1408 -36.1408 -5.4143 -5.4143 -3.8297 -3.8297 0.9395 0.9395 3.9899 3.9899 5.1079 5.1079 5.5566 5.5566 6.7680 6.7680 7.0067 7.0067 9.7291 9.7291 10.0796 10.0796 10.6199 10.6199 11.5446 11.5446 k = 0.1771 0.1022-0.0000 ( 6622 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4298 -36.4298 -36.1417 -36.1417 -36.1408 -36.1408 -5.3797 -5.3797 -3.8071 -3.8071 0.9813 0.9813 3.8435 3.8435 5.0492 5.0492 5.4040 5.4040 6.7218 6.7218 6.9595 6.9595 9.6695 9.6695 10.0998 10.0998 10.6317 10.6317 11.6052 11.6052 k = 0.1875 0.1083-0.0000 ( 6620 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4298 -36.4298 -36.1417 -36.1417 -36.1408 -36.1408 -5.3433 -5.3433 -3.7838 -3.7838 1.0256 1.0256 3.6978 3.6978 4.9896 4.9896 5.2525 5.2525 6.6713 6.6713 6.9109 6.9109 9.6087 9.6087 10.1175 10.1175 10.6449 10.6449 11.6505 11.6505 k = 0.1979 0.1143-0.0000 ( 6610 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4298 -36.4298 -36.1418 -36.1418 -36.1408 -36.1408 -5.3050 -5.3050 -3.7597 -3.7597 1.0722 1.0722 3.5532 3.5532 4.9277 4.9277 5.1042 5.1042 6.6165 6.6165 6.8612 6.8612 9.5474 9.5474 10.1319 10.1319 10.6610 10.6610 11.6790 11.6790 k = 0.2083 0.1203-0.0000 ( 6614 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4299 -36.4299 -36.1419 -36.1419 -36.1408 -36.1408 -5.2650 -5.2650 -3.7351 -3.7351 1.1211 1.1211 3.4101 3.4101 4.8568 4.8568 4.9664 4.9664 6.5573 6.5573 6.8109 6.8109 9.4861 9.4861 10.1427 10.1427 10.6811 10.6811 11.6725 11.6725 k = 0.2188 0.1263-0.0000 ( 6614 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4299 -36.4299 -36.1419 -36.1419 -36.1408 -36.1408 -5.2232 -5.2232 -3.7100 -3.7100 1.1724 1.1724 3.2688 3.2688 4.7547 4.7547 4.8617 4.8617 6.4936 6.4936 6.7603 6.7603 9.4253 9.4253 10.1497 10.1497 10.7058 10.7058 11.5964 11.5964 k = 0.2292 0.1323-0.0000 ( 6622 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4763 -69.4763 -36.4300 -36.4300 -36.1420 -36.1420 -36.1409 -36.1409 -5.1798 -5.1798 -3.6846 -3.6846 1.2259 1.2259 3.1299 3.1299 4.6206 4.6206 4.7914 4.7914 6.4255 6.4255 6.7099 6.7099 9.3651 9.3651 10.1532 10.1532 10.7353 10.7353 11.5173 11.5173 k = 0.2396 0.1383-0.0000 ( 6616 PWs) bands (ev): -93.7146 -93.7146 -93.7139 -93.7139 -69.4763 -69.4763 -36.4300 -36.4300 -36.1421 -36.1421 -36.1409 -36.1409 -5.1349 -5.1349 -3.6591 -3.6591 1.2815 1.2815 2.9937 2.9937 4.4780 4.4780 4.7326 4.7326 6.3529 6.3529 6.6601 6.6601 9.3060 9.3060 10.1536 10.1536 10.7689 10.7689 11.4403 11.4403 k = 0.2500 0.1443-0.0000 ( 6624 PWs) bands (ev): -93.7146 -93.7146 -93.7139 -93.7139 -69.4763 -69.4763 -36.4300 -36.4300 -36.1422 -36.1422 -36.1409 -36.1409 -5.0884 -5.0884 -3.6336 -3.6336 1.3393 1.3393 2.8606 2.8606 4.3344 4.3344 4.6780 4.6780 6.2759 6.2759 6.6112 6.6112 9.2482 9.2482 10.1518 10.1518 10.8054 10.8054 11.3673 11.3673 k = 0.2604 0.1504-0.0000 ( 6626 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4301 -36.4301 -36.1423 -36.1423 -36.1409 -36.1409 -5.0405 -5.0405 -3.6083 -3.6083 1.3990 1.3990 2.7308 2.7308 4.1920 4.1920 4.6259 4.6259 6.1948 6.1948 6.5635 6.5635 9.1918 9.1918 10.1483 10.1483 10.8428 10.8428 11.3007 11.3007 k = 0.2708 0.1564-0.0000 ( 6632 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4301 -36.4301 -36.1423 -36.1423 -36.1409 -36.1409 -4.9912 -4.9912 -3.5834 -3.5834 1.4607 1.4607 2.6050 2.6050 4.0516 4.0516 4.5759 4.5759 6.1097 6.1097 6.5171 6.5171 9.1370 9.1370 10.1438 10.1438 10.8769 10.8769 11.2445 11.2445 k = 0.2812 0.1624-0.0000 ( 6632 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4302 -36.4302 -36.1424 -36.1424 -36.1409 -36.1409 -4.9408 -4.9408 -3.5592 -3.5592 1.5240 1.5240 2.4835 2.4835 3.9137 3.9137 4.5277 4.5277 6.0209 6.0209 6.4723 6.4723 9.0840 9.0840 10.1388 10.1388 10.9003 10.9003 11.2060 11.2060 k = 0.2917 0.1684-0.0000 ( 6636 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4302 -36.4302 -36.1425 -36.1425 -36.1409 -36.1409 -4.8892 -4.8892 -3.5357 -3.5357 1.5886 1.5886 2.3668 2.3668 3.7785 3.7785 4.4815 4.4815 5.9289 5.9289 6.4290 6.4290 9.0328 9.0328 10.1339 10.1339 10.9029 10.9029 11.1949 11.1949 k = 0.3021 0.1744-0.0000 ( 6644 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4303 -36.4303 -36.1426 -36.1426 -36.1409 -36.1409 -4.8366 -4.8366 -3.5133 -3.5133 1.6540 1.6540 2.2559 2.2559 3.6465 3.6465 4.4372 4.4372 5.8340 5.8340 6.3875 6.3875 8.9837 8.9837 10.1293 10.1293 10.8815 10.8815 11.2143 11.2143 k = 0.3125 0.1804-0.0000 ( 6642 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4303 -36.4303 -36.1426 -36.1426 -36.1409 -36.1409 -4.7832 -4.7832 -3.4922 -3.4922 1.7187 1.7187 2.1523 2.1523 3.5178 3.5178 4.3948 4.3948 5.7367 5.7367 6.3477 6.3477 8.9367 8.9367 10.1253 10.1253 10.8439 10.8439 11.2558 11.2558 k = 0.3229 0.1864-0.0000 ( 6638 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4303 -36.4303 -36.1427 -36.1427 -36.1409 -36.1409 -4.7290 -4.7290 -3.4726 -3.4726 1.7782 1.7782 2.0608 2.0608 3.3929 3.3929 4.3545 4.3545 5.6372 5.6372 6.3098 6.3098 8.8919 8.8919 10.1221 10.1221 10.7990 10.7990 11.3102 11.3102 k = 0.3333 0.1925-0.0000 ( 6630 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4303 -36.4303 -36.1428 -36.1428 -36.1409 -36.1409 -4.6744 -4.6744 -3.4547 -3.4547 1.8147 1.8147 1.9992 1.9992 3.2719 3.2719 4.3162 4.3162 5.5361 5.5361 6.2737 6.2737 8.8494 8.8494 10.1197 10.1197 10.7518 10.7518 11.3720 11.3720 k = 0.3438 0.1985-0.0000 ( 6622 PWs) bands (ev): -93.7145 -93.7145 -93.7140 -93.7140 -69.4763 -69.4763 -36.4304 -36.4304 -36.1428 -36.1428 -36.1409 -36.1409 -4.6194 -4.6194 -3.4387 -3.4387 1.7903 1.7903 2.0056 2.0056 3.1551 3.1551 4.2800 4.2800 5.4339 5.4339 6.2396 6.2396 8.8092 8.8092 10.1184 10.1184 10.7047 10.7047 11.4093 11.4093 k = 0.3542 0.2045-0.0000 ( 6626 PWs) bands (ev): -93.7145 -93.7145 -93.7140 -93.7140 -69.4763 -69.4763 -36.4304 -36.4304 -36.1429 -36.1429 -36.1409 -36.1409 -4.5642 -4.5642 -3.4250 -3.4250 1.7250 1.7250 2.0601 2.0601 3.0430 3.0430 4.2460 4.2460 5.3308 5.3308 6.2074 6.2074 8.7714 8.7714 10.1181 10.1181 10.6589 10.6589 11.3844 11.3844 k = 0.3646 0.2105-0.0000 ( 6634 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4304 -36.4304 -36.1429 -36.1429 -36.1409 -36.1409 -4.5092 -4.5092 -3.4136 -3.4136 1.6526 1.6526 2.1286 2.1286 2.9359 2.9359 4.2141 4.2141 5.2275 5.2275 6.1773 6.1773 8.7360 8.7360 10.1189 10.1189 10.6149 10.6149 11.3596 11.3596 k = 0.3750 0.2165-0.0000 ( 6644 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4305 -36.4305 -36.1430 -36.1430 -36.1409 -36.1409 -4.4546 -4.4546 -3.4047 -3.4047 1.5823 1.5823 2.2018 2.2018 2.8342 2.8342 4.1845 4.1845 5.1245 5.1245 6.1493 6.1493 8.7031 8.7031 10.1208 10.1208 10.5730 10.5730 11.3360 11.3360 k = 0.3854 0.2225-0.0000 ( 6640 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4305 -36.4305 -36.1431 -36.1431 -36.1409 -36.1409 -4.4008 -4.4008 -3.3983 -3.3983 1.5169 1.5169 2.2766 2.2766 2.7386 2.7386 4.1572 4.1572 5.0223 5.0223 6.1234 6.1234 8.6727 8.6727 10.1237 10.1237 10.5333 10.5333 11.3139 11.3139 k = 0.3958 0.2285-0.0000 ( 6644 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4305 -36.4305 -36.1431 -36.1431 -36.1409 -36.1409 -4.3480 -4.3480 -3.3947 -3.3947 1.4572 1.4572 2.3511 2.3511 2.6501 2.6501 4.1322 4.1322 4.9215 4.9215 6.0996 6.0996 8.6449 8.6449 10.1278 10.1278 10.4960 10.4960 11.2934 11.2934 k = 0.4062 0.2345-0.0000 ( 6644 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1432 -36.1432 -36.1409 -36.1409 -4.2966 -4.2966 -3.3937 -3.3937 1.4035 1.4035 2.4208 2.4208 2.5726 2.5726 4.1095 4.1095 4.8230 4.8230 6.0780 6.0780 8.6197 8.6197 10.1328 10.1328 10.4609 10.4609 11.2746 11.2746 k = 0.4167 0.2406-0.0000 ( 6642 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1432 -36.1432 -36.1409 -36.1409 -4.2473 -4.2473 -3.3951 -3.3951 1.3561 1.3561 2.4511 2.4511 2.5404 2.5404 4.0892 4.0892 4.7275 4.7275 6.0586 6.0586 8.5970 8.5970 10.1390 10.1390 10.4282 10.4282 11.2576 11.2576 k = 0.4271 0.2466-0.0000 ( 6644 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1432 -36.1432 -36.1409 -36.1409 -4.2006 -4.2006 -3.3988 -3.3988 1.3150 1.3150 2.4022 2.4022 2.5929 2.5929 4.0712 4.0712 4.6361 4.6361 6.0414 6.0414 8.5770 8.5770 10.1462 10.1462 10.3976 10.3976 11.2425 11.2425 k = 0.4375 0.2526-0.0000 ( 6644 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -4.1571 -4.1571 -3.4044 -3.4044 1.2800 1.2800 2.3442 2.3442 2.6590 2.6590 4.0557 4.0557 4.5501 4.5501 6.0265 6.0265 8.5596 8.5596 10.1544 10.1544 10.3693 10.3693 11.2293 11.2293 k = 0.4479 0.2586-0.0000 ( 6644 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -4.1177 -4.1177 -3.4112 -3.4112 1.2510 1.2510 2.2921 2.2921 2.7229 2.7229 4.0426 4.0426 4.4711 4.4711 6.0138 6.0138 8.5449 8.5449 10.1637 10.1637 10.3432 10.3432 11.2180 11.2180 k = 0.4583 0.2646-0.0000 ( 6644 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1410 -36.1410 -4.0833 -4.0833 -3.4187 -3.4187 1.2277 1.2277 2.2481 2.2481 2.7808 2.7808 4.0320 4.0320 4.4011 4.4011 6.0034 6.0034 8.5329 8.5329 10.1739 10.1739 10.3192 10.3192 11.2088 11.2088 k = 0.4688 0.2706-0.0000 ( 6644 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1410 -36.1410 -4.0549 -4.0549 -3.4260 -3.4260 1.2100 1.2100 2.2132 2.2132 2.8300 2.8300 4.0238 4.0238 4.3424 4.3424 5.9953 5.9953 8.5235 8.5235 10.1850 10.1850 10.2975 10.2975 11.2015 11.2015 k = 0.4792 0.2766-0.0000 ( 6654 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1410 -36.1410 -4.0336 -4.0336 -3.4321 -3.4321 1.1975 1.1975 2.1878 2.1878 2.8679 2.8679 4.0181 4.0181 4.2977 4.2977 5.9895 5.9895 8.5167 8.5167 10.1964 10.1964 10.2785 10.2785 11.1964 11.1964 k = 0.4896 0.2827-0.0000 ( 6658 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1410 -36.1410 -4.0204 -4.0204 -3.4362 -3.4362 1.1901 1.1901 2.1724 2.1724 2.8919 2.8919 4.0148 4.0148 4.2696 4.2696 5.9861 5.9861 8.5127 8.5127 10.2068 10.2068 10.2636 10.2636 11.1933 11.1933 k = 0.5000 0.2887-0.0000 ( 6656 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1410 -36.1410 -4.0159 -4.0159 -3.4377 -3.4377 1.1876 1.1876 2.1673 2.1673 2.9001 2.9001 4.0136 4.0136 4.2600 4.2600 5.9849 5.9849 8.5114 8.5114 10.2117 10.2117 10.2571 10.2571 11.1922 11.1922 k = 0.5000 0.2887-0.0000 ( 6656 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1410 -36.1410 -4.0159 -4.0159 -3.4377 -3.4377 1.1876 1.1876 2.1673 2.1673 2.9001 2.9001 4.0136 4.0136 4.2600 4.2600 5.9849 5.9849 8.5114 8.5114 10.2117 10.2117 10.2571 10.2571 11.1922 11.1922 k = 0.4940 0.2990-0.0000 ( 6652 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1410 -36.1410 -4.0151 -4.0151 -3.4374 -3.4374 1.1886 1.1886 2.1682 2.1682 2.9013 2.9013 4.0042 4.0042 4.2623 4.2623 5.9757 5.9757 8.5213 8.5213 10.1917 10.1917 10.2695 10.2695 11.2117 11.2117 k = 0.4881 0.3093-0.0000 ( 6640 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -4.0128 -4.0128 -3.4367 -3.4367 1.1916 1.1916 2.1709 2.1709 2.9049 2.9049 3.9772 3.9772 4.2683 4.2683 5.9485 5.9485 8.5506 8.5506 10.1368 10.1368 10.3059 10.3059 11.2656 11.2656 k = 0.4821 0.3196-0.0000 ( 6638 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -4.0089 -4.0089 -3.4356 -3.4356 1.1965 1.1965 2.1755 2.1755 2.9109 2.9109 3.9350 3.9350 4.2761 4.2761 5.9042 5.9042 8.5980 8.5980 10.0575 10.0575 10.3652 10.3652 11.3441 11.3441 k = 0.4762 0.3299-0.0000 ( 6642 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -4.0036 -4.0036 -3.4340 -3.4340 1.2034 1.2034 2.1818 2.1818 2.9192 2.9192 3.8803 3.8803 4.2841 4.2841 5.8443 5.8443 8.6613 8.6613 9.9644 9.9644 10.4460 10.4460 11.4378 11.4378 k = 0.4702 0.3402-0.0000 ( 6638 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -3.9967 -3.9967 -3.4320 -3.4320 1.2121 1.2121 2.1900 2.1900 2.9300 2.9300 3.8152 3.8152 4.2915 4.2915 5.7705 5.7705 8.7368 8.7368 9.8668 9.8668 10.5466 10.5466 11.5398 11.5398 k = 0.4643 0.3505-0.0000 ( 6638 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1410 -36.1410 -3.9883 -3.9883 -3.4297 -3.4297 1.2228 1.2228 2.1998 2.1998 2.9431 2.9431 3.7416 3.7416 4.2978 4.2978 5.6850 5.6850 8.8183 8.8183 9.7739 9.7739 10.6649 10.6649 11.6456 11.6456 k = 0.4583 0.3608-0.0000 ( 6626 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -3.9784 -3.9784 -3.4272 -3.4272 1.2353 1.2353 2.2113 2.2113 2.9585 2.9585 3.6610 3.6610 4.3028 4.3028 5.5895 5.5895 8.8949 8.8949 9.6983 9.6983 10.7990 10.7990 11.7523 11.7523 k = 0.4524 0.3712-0.0000 ( 6626 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -3.9671 -3.9671 -3.4244 -3.4244 1.2496 1.2496 2.2244 2.2244 2.9761 2.9761 3.5751 3.5751 4.3066 4.3066 5.4862 5.4862 8.9484 8.9484 9.6588 9.6588 10.9469 10.9469 11.8579 11.8579 k = 0.4464 0.3815-0.0000 ( 6626 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -3.9544 -3.9544 -3.4215 -3.4215 1.2656 1.2656 2.2390 2.2390 2.9959 2.9959 3.4853 3.4853 4.3091 4.3091 5.3766 5.3766 8.9580 8.9580 9.6763 9.6763 11.1069 11.1069 11.9612 11.9612 k = 0.4405 0.3918-0.0000 ( 6622 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -3.9403 -3.9403 -3.4187 -3.4187 1.2832 1.2832 2.2551 2.2551 3.0175 3.0175 3.3933 3.3933 4.3101 4.3101 5.2625 5.2625 8.9190 8.9190 9.7556 9.7556 11.2772 11.2772 12.0614 12.0614 k = 0.4345 0.4021-0.0000 ( 6622 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -3.9250 -3.9250 -3.4159 -3.4159 1.3024 1.3024 2.2725 2.2725 3.0401 3.0401 3.3010 3.3010 4.3094 4.3094 5.1452 5.1452 8.8462 8.8462 9.8814 9.8814 11.4562 11.4562 12.1581 12.1581 k = 0.4286 0.4124-0.0000 ( 6620 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -3.9083 -3.9083 -3.4134 -3.4134 1.3230 1.3230 2.2910 2.2910 3.0606 3.0606 3.2129 3.2129 4.3069 4.3069 5.0262 5.0262 8.7558 8.7558 10.0376 10.0376 11.6424 11.6424 12.2511 12.2511 k = 0.4226 0.4227-0.0000 ( 6612 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -3.8904 -3.8904 -3.4112 -3.4112 1.3449 1.3449 2.3104 2.3104 3.0579 3.0579 3.1511 3.1511 4.3023 4.3023 4.9067 4.9067 8.6578 8.6578 10.2137 10.2137 11.8343 11.8343 12.3405 12.3405 k = 0.4167 0.4330-0.0000 ( 6608 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -3.8714 -3.8714 -3.4096 -3.4096 1.3678 1.3678 2.3306 2.3306 2.9947 2.9947 3.1540 3.1540 4.2952 4.2952 4.7878 4.7878 8.5578 8.5578 10.4042 10.4042 12.0298 12.0298 12.4265 12.4265 k = 0.4107 0.4433-0.0000 ( 6608 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.8513 -3.8513 -3.4086 -3.4086 1.3915 1.3915 2.3512 2.3512 2.9115 2.9115 3.1821 3.1821 4.2850 4.2850 4.6709 4.6709 8.4588 8.4588 10.6056 10.6056 12.2257 12.2257 12.5096 12.5096 k = 0.4048 0.4536-0.0000 ( 6612 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.8301 -3.8301 -3.4084 -3.4084 1.4158 1.4158 2.3717 2.3717 2.8282 2.8282 3.2166 3.2166 4.2709 4.2709 4.5573 4.5573 8.3630 8.3630 10.8159 10.8159 12.4133 12.4133 12.5903 12.5903 k = 0.3988 0.4639-0.0000 ( 6612 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.8080 -3.8080 -3.4092 -3.4092 1.4401 1.4401 2.3915 2.3915 2.7489 2.7489 3.2547 3.2547 4.2511 4.2511 4.4496 4.4496 8.2718 8.2718 11.0334 11.0334 12.5647 12.5647 12.6658 12.6658 k = 0.3929 0.4743-0.0000 ( 6618 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.7851 -3.7851 -3.4112 -3.4112 1.4642 1.4642 2.4098 2.4098 2.6757 2.6757 3.2956 3.2956 4.2213 4.2213 4.3527 4.3527 8.1862 8.1862 11.2569 11.2569 12.6536 12.6536 12.7364 12.7364 k = 0.3869 0.4846-0.0000 ( 6616 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.7615 -3.7615 -3.4146 -3.4146 1.4873 1.4873 2.4250 2.4250 2.6111 2.6111 3.3390 3.3390 4.1709 4.1709 4.2781 4.2781 8.1071 8.1071 11.4853 11.4853 12.7116 12.7116 12.8071 12.8071 k = 0.3810 0.4949-0.0000 ( 6618 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1411 -36.1411 -3.7372 -3.7372 -3.4195 -3.4195 1.5090 1.5090 2.4336 2.4336 2.5589 2.5589 3.3848 3.3848 4.0973 4.0973 4.2289 4.2289 8.0352 8.0352 11.7173 11.7173 12.7613 12.7613 12.8771 12.8771 k = 0.3750 0.5052-0.0000 ( 6614 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1411 -36.1411 -3.7123 -3.7123 -3.4261 -3.4261 1.5284 1.5284 2.4293 2.4293 2.5259 2.5259 3.4328 3.4328 4.0170 4.0170 4.1899 4.1899 7.9709 7.9709 11.9514 11.9514 12.8087 12.8087 12.9463 12.9463 k = 0.3690 0.5155-0.0000 ( 6626 PWs) bands (ev): -93.7143 -93.7143 -93.7142 -93.7142 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.6871 -3.6871 -3.4347 -3.4347 1.5449 1.5449 2.4106 2.4106 2.5138 2.5138 3.4828 3.4828 3.9408 3.9408 4.1513 4.1513 7.9147 7.9147 12.1854 12.1854 12.8554 12.8554 13.0147 13.0147 k = 0.3631 0.5258-0.0000 ( 6630 PWs) bands (ev): -93.7143 -93.7143 -93.7142 -93.7142 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.6616 -3.6616 -3.4453 -3.4453 1.5579 1.5579 2.3889 2.3889 2.5111 2.5111 3.5347 3.5347 3.8733 3.8733 4.1100 4.1100 7.8670 7.8670 12.4156 12.4156 12.9015 12.9015 13.0823 13.0823 k = 0.3571 0.5361-0.0000 ( 6630 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.6359 -3.6359 -3.4582 -3.4582 1.5671 1.5671 2.3731 2.3731 2.5085 2.5085 3.5878 3.5878 3.8170 3.8170 4.0651 4.0651 7.8280 7.8280 12.6351 12.6351 12.9470 12.9470 13.1485 13.1485 k = 0.3512 0.5464-0.0000 ( 6634 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.6102 -3.6102 -3.4734 -3.4734 1.5727 1.5727 2.3662 2.3662 2.5024 2.5024 3.6402 3.6402 3.7755 3.7755 4.0161 4.0161 7.7977 7.7977 12.8301 12.8301 12.9912 12.9912 13.2102 13.2102 k = 0.3452 0.5567-0.0000 ( 6622 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5847 -3.5847 -3.4912 -3.4912 1.5753 1.5753 2.3679 2.3679 2.4922 2.4922 3.6821 3.6821 3.7592 3.7592 3.9631 3.9631 7.7763 7.7763 12.9751 12.9751 13.0361 13.0361 13.2621 13.2621 k = 0.3393 0.5670-0.0000 ( 6622 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5594 -3.5594 -3.5116 -3.5116 1.5759 1.5759 2.3756 2.3756 2.4798 2.4798 3.6922 3.6922 3.7893 3.7893 3.9067 3.9067 7.7635 7.7635 13.0413 13.0413 13.0844 13.0844 13.3093 13.3093 k = 0.3333 0.5774-0.0000 ( 6606 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5350 -3.5350 -3.5344 -3.5344 1.5759 1.5759 2.3813 2.3813 2.4727 2.4727 3.6906 3.6906 3.8360 3.8360 3.8562 3.8562 7.7593 7.7593 13.0588 13.0588 13.1013 13.1013 13.3619 13.3619 k = 0.3333 0.5774-0.0000 ( 6606 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5350 -3.5350 -3.5344 -3.5344 1.5759 1.5759 2.3813 2.3813 2.4727 2.4727 3.6906 3.6906 3.8360 3.8360 3.8562 3.8562 7.7593 7.7593 13.0588 13.0588 13.1013 13.1013 13.3619 13.3619 k = 0.3274 0.5670-0.0000 ( 6622 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5605 -3.5605 -3.5106 -3.5106 1.5764 1.5764 2.3721 2.3721 2.4833 2.4833 3.6921 3.6921 3.7860 3.7860 3.9098 3.9098 7.7634 7.7634 13.0402 13.0402 13.0912 13.0912 13.3072 13.3072 k = 0.3214 0.5567-0.0000 ( 6638 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5892 -3.5892 -3.4873 -3.4873 1.5788 1.5788 2.3475 2.3475 2.5126 2.5126 3.6785 3.6785 3.7484 3.7484 3.9757 3.9757 7.7755 7.7755 12.9932 12.9932 13.0567 13.0567 13.2589 13.2589 k = 0.3155 0.5464-0.0000 ( 6630 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.6206 -3.6206 -3.4650 -3.4650 1.5841 1.5841 2.3150 2.3150 2.5532 2.5532 3.6228 3.6228 3.7589 3.7589 4.0443 4.0443 7.7954 7.7954 12.9310 12.9310 12.9939 12.9939 13.2187 13.2187 k = 0.3095 0.5361-0.0000 ( 6628 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.6547 -3.6547 -3.4438 -3.4438 1.5931 1.5931 2.2795 2.2795 2.6008 2.6008 3.5526 3.5526 3.7899 3.7899 4.1152 4.1152 7.8226 7.8226 12.8591 12.8591 12.9120 12.9120 13.1768 13.1768 k = 0.3036 0.5258-0.0000 ( 6624 PWs) bands (ev): -93.7143 -93.7143 -93.7142 -93.7142 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.6915 -3.6915 -3.4240 -3.4240 1.6066 1.6066 2.2433 2.2433 2.6534 2.6534 3.4781 3.4781 3.8304 3.8304 4.1881 4.1881 7.8568 7.8568 12.7794 12.7794 12.8210 12.8210 13.1274 13.1274 k = 0.2976 0.5155-0.0000 ( 6624 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.7309 -3.7309 -3.4058 -3.4058 1.6250 1.6250 2.2083 2.2083 2.7094 2.7094 3.4019 3.4019 3.8780 3.8780 4.2628 4.2628 7.8976 7.8976 12.6918 12.6918 12.7277 12.7277 13.0699 13.0699 k = 0.2917 0.5052-0.0000 ( 6628 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1412 -36.1412 -3.7728 -3.7728 -3.3892 -3.3892 1.6486 1.6486 2.1756 2.1756 2.7671 2.7671 3.3258 3.3258 3.9314 3.9314 4.3392 4.3392 7.9445 7.9445 12.5962 12.5962 12.6361 12.6361 13.0057 13.0057 k = 0.2857 0.4949-0.0000 ( 6630 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.8169 -3.8169 -3.3745 -3.3745 1.6776 1.6776 2.1462 2.1462 2.8240 2.8240 3.2525 3.2525 3.9899 3.9899 4.4173 4.4173 7.9973 7.9973 12.4953 12.4953 12.5456 12.5456 12.9301 12.9301 k = 0.2798 0.4846-0.0000 ( 6634 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.8632 -3.8632 -3.3617 -3.3617 1.7121 1.7121 2.1208 2.1208 2.8737 2.8737 3.1882 3.1882 4.0527 4.0527 4.4970 4.4970 8.0555 8.0555 12.3925 12.3925 12.4551 12.4551 12.8171 12.8172 k = 0.2738 0.4743-0.0000 ( 6622 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.9115 -3.9115 -3.3511 -3.3511 1.7522 1.7522 2.1002 2.1002 2.9003 2.9003 3.1491 3.1491 4.1194 4.1194 4.5780 4.5780 8.1188 8.1188 12.2894 12.2894 12.3639 12.3639 12.7014 12.7014 k = 0.2679 0.4639-0.0000 ( 6618 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.9616 -3.9616 -3.3427 -3.3427 1.7977 1.7977 2.0848 2.0848 2.8820 2.8820 3.1572 3.1572 4.1896 4.1896 4.6604 4.6604 8.1868 8.1868 12.1870 12.1870 12.2721 12.2721 12.5889 12.5889 k = 0.2619 0.4536-0.0000 ( 6614 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1432 -36.1432 -36.1411 -36.1411 -4.0133 -4.0133 -3.3367 -3.3367 1.8485 1.8485 2.0750 2.0750 2.8267 2.8267 3.2047 3.2047 4.2629 4.2629 4.7441 4.7441 8.2593 8.2593 12.0859 12.0859 12.1801 12.1801 12.4800 12.4800 k = 0.2560 0.4433-0.0000 ( 6614 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1432 -36.1432 -36.1411 -36.1411 -4.0663 -4.0663 -3.3330 -3.3330 1.9043 1.9043 2.0712 2.0712 2.7557 2.7557 3.2704 3.2704 4.3390 4.3390 4.8288 4.8288 8.3357 8.3357 11.9865 11.9865 12.0882 12.0882 12.3749 12.3749 k = 0.2500 0.4330-0.0000 ( 6610 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1432 -36.1432 -36.1411 -36.1411 -4.1206 -4.1206 -3.3318 -3.3318 1.9643 1.9643 2.0740 2.0740 2.6792 2.6792 3.3447 3.3447 4.4176 4.4176 4.9145 4.9145 8.4158 8.4158 11.8893 11.8893 11.9968 11.9968 12.2735 12.2735 k = 0.2440 0.4227-0.0000 ( 6602 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1431 -36.1431 -36.1410 -36.1410 -4.1758 -4.1758 -3.3330 -3.3330 2.0263 2.0263 2.0849 2.0849 2.6017 2.6017 3.4237 3.4237 4.4987 4.4987 5.0011 5.0011 8.4992 8.4992 11.7943 11.7943 11.9063 11.9063 12.1758 12.1758 k = 0.2381 0.4124-0.0000 ( 6602 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1431 -36.1431 -36.1410 -36.1410 -4.2319 -4.2319 -3.3366 -3.3366 2.0779 2.0779 2.1150 2.1150 2.5261 2.5261 3.5061 3.5061 4.5819 4.5819 5.0884 5.0884 8.5856 8.5856 11.7018 11.7018 11.8170 11.8170 12.0819 12.0819 k = 0.2321 0.4021-0.0000 ( 6604 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4305 -36.4305 -36.1430 -36.1430 -36.1410 -36.1410 -4.2885 -4.2885 -3.3427 -3.3427 2.1062 2.1062 2.1726 2.1726 2.4575 2.4575 3.5910 3.5910 4.6671 4.6671 5.1762 5.1762 8.6746 8.6746 11.6119 11.6119 11.7293 11.7293 11.9919 11.9919 k = 0.2262 0.3918-0.0000 ( 6614 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4305 -36.4305 -36.1430 -36.1430 -36.1410 -36.1410 -4.3455 -4.3455 -3.3510 -3.3510 2.1307 2.1307 2.2227 2.2227 2.4122 2.4122 3.6780 3.6780 4.7542 4.7542 5.2644 5.2644 8.7658 8.7658 11.5249 11.5249 11.6434 11.6434 11.9060 11.9060 k = 0.2202 0.3815-0.0000 ( 6604 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4305 -36.4305 -36.1429 -36.1429 -36.1410 -36.1410 -4.4027 -4.4027 -3.3617 -3.3617 2.1470 2.1470 2.2332 2.2332 2.4263 2.4263 3.7667 3.7667 4.8429 4.8429 5.3528 5.3528 8.8587 8.8587 11.4407 11.4407 11.5595 11.5595 11.8243 11.8243 k = 0.2143 0.3712-0.0000 ( 6608 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4304 -36.4304 -36.1429 -36.1429 -36.1410 -36.1410 -4.4600 -4.4600 -3.3744 -3.3744 2.1231 2.1231 2.2434 2.2434 2.4929 2.4929 3.8570 3.8570 4.9331 4.9331 5.4412 5.4412 8.9529 8.9529 11.3595 11.3595 11.4777 11.4777 11.7472 11.7472 k = 0.2083 0.3608-0.0000 ( 6604 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4304 -36.4304 -36.1428 -36.1428 -36.1410 -36.1410 -4.5172 -4.5172 -3.3892 -3.3892 2.0638 2.0638 2.2808 2.2808 2.5793 2.5793 3.9487 3.9487 5.0247 5.0247 5.5294 5.5294 9.0479 9.0479 11.2813 11.2813 11.3983 11.3983 11.6750 11.6750 k = 0.2024 0.3505-0.0000 ( 6606 PWs) bands (ev): -93.7145 -93.7145 -93.7140 -93.7140 -69.4763 -69.4763 -36.4304 -36.4304 -36.1428 -36.1428 -36.1410 -36.1410 -4.5741 -4.5741 -3.4058 -3.4058 1.9945 1.9945 2.3308 2.3308 2.6749 2.6749 4.0415 4.0415 5.1174 5.1174 5.6172 5.6172 9.1430 9.1430 11.2063 11.2063 11.3212 11.3212 11.6084 11.6084 k = 0.1964 0.3402-0.0000 ( 6612 PWs) bands (ev): -93.7145 -93.7145 -93.7140 -93.7140 -69.4763 -69.4763 -36.4303 -36.4303 -36.1427 -36.1427 -36.1410 -36.1410 -4.6305 -4.6305 -3.4241 -3.4241 1.9227 1.9227 2.3887 2.3887 2.7763 2.7763 4.1355 4.1355 5.2112 5.2112 5.7044 5.7044 9.2376 9.2376 11.1343 11.1343 11.2464 11.2464 11.5480 11.5480 k = 0.1905 0.3299-0.0000 ( 6610 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4303 -36.4303 -36.1427 -36.1427 -36.1409 -36.1409 -4.6864 -4.6864 -3.4440 -3.4440 1.8508 1.8508 2.4532 2.4532 2.8823 2.8823 4.2303 4.2303 5.3059 5.3059 5.7908 5.7908 9.3308 9.3308 11.0656 11.0656 11.1738 11.1738 11.4946 11.4946 k = 0.1845 0.3196-0.0000 ( 6610 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4303 -36.4303 -36.1426 -36.1426 -36.1409 -36.1409 -4.7416 -4.7416 -3.4652 -3.4652 1.7796 1.7796 2.5238 2.5238 2.9923 2.9923 4.3261 4.3261 5.4012 5.4012 5.8760 5.8760 9.4217 9.4217 10.9999 10.9999 11.1035 11.1035 11.4491 11.4491 k = 0.1786 0.3093-0.0000 ( 6610 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4302 -36.4302 -36.1425 -36.1425 -36.1409 -36.1409 -4.7960 -4.7960 -3.4876 -3.4876 1.7096 1.7096 2.6001 2.6001 3.1058 3.1058 4.4225 4.4225 5.4970 5.4970 5.9600 5.9600 9.5093 9.5093 10.9375 10.9375 11.0352 11.0352 11.4123 11.4123 k = 0.1726 0.2990-0.0000 ( 6610 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4302 -36.4302 -36.1425 -36.1425 -36.1409 -36.1409 -4.8494 -4.8494 -3.5111 -3.5111 1.6411 1.6411 2.6819 2.6819 3.2225 3.2225 4.5196 4.5196 5.5931 5.5931 6.0423 6.0423 9.5925 9.5925 10.8781 10.8781 10.9691 10.9691 11.3853 11.3853 k = 0.1667 0.2887-0.0000 ( 6618 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4302 -36.4302 -36.1424 -36.1424 -36.1409 -36.1409 -4.9018 -4.9018 -3.5353 -3.5353 1.5742 1.5742 2.7688 2.7688 3.3419 3.3419 4.6172 4.6172 5.6893 5.6893 6.1229 6.1229 9.6702 9.6702 10.8218 10.8218 10.9052 10.9052 11.3689 11.3689 k = 0.1607 0.2784-0.0000 ( 6626 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4301 -36.4301 -36.1424 -36.1424 -36.1409 -36.1409 -4.9531 -4.9531 -3.5602 -3.5602 1.5092 1.5092 2.8606 2.8606 3.4638 3.4638 4.7153 4.7153 5.7854 5.7854 6.2014 6.2014 9.7412 9.7412 10.7685 10.7685 10.8433 10.8433 11.3640 11.3640 k = 0.1548 0.2681-0.0000 ( 6622 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4301 -36.4301 -36.1423 -36.1423 -36.1409 -36.1409 -5.0031 -5.0031 -3.5856 -3.5856 1.4461 1.4461 2.9571 2.9571 3.5879 3.5879 4.8139 4.8139 5.8810 5.8810 6.2776 6.2776 9.8046 9.8046 10.7180 10.7180 10.7838 10.7838 11.3709 11.3709 k = 0.1488 0.2577-0.0000 ( 6626 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4301 -36.4301 -36.1422 -36.1422 -36.1409 -36.1409 -5.0518 -5.0518 -3.6114 -3.6114 1.3850 1.3850 3.0580 3.0580 3.7137 3.7137 4.9128 4.9128 5.9758 5.9758 6.3513 6.3513 9.8597 9.8597 10.6703 10.6703 10.7266 10.7266 11.3895 11.3895 k = 0.1429 0.2474-0.0000 ( 6630 PWs) bands (ev): -93.7146 -93.7146 -93.7139 -93.7139 -69.4763 -69.4763 -36.4300 -36.4300 -36.1422 -36.1422 -36.1409 -36.1409 -5.0992 -5.0992 -3.6372 -3.6372 1.3259 1.3259 3.1630 3.1630 3.8407 3.8407 5.0122 5.0122 6.0697 6.0697 6.4224 6.4224 9.9063 9.9063 10.6252 10.6252 10.6721 10.6721 11.4193 11.4193 k = 0.1369 0.2371-0.0000 ( 6632 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4763 -69.4763 -36.4300 -36.4300 -36.1421 -36.1421 -36.1409 -36.1409 -5.1450 -5.1450 -3.6631 -3.6631 1.2689 1.2689 3.2719 3.2719 3.9686 3.9686 5.1120 5.1120 6.1621 6.1621 6.4906 6.4906 9.9445 9.9445 10.5825 10.5825 10.6205 10.6205 11.4586 11.4586 k = 0.1310 0.2268-0.0000 ( 6624 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4763 -69.4763 -36.4300 -36.4300 -36.1420 -36.1420 -36.1409 -36.1409 -5.1893 -5.1893 -3.6888 -3.6888 1.2141 1.2141 3.3845 3.3845 4.0968 4.0968 5.2123 5.2123 6.2527 6.2527 6.5561 6.5561 9.9749 9.9749 10.5420 10.5420 10.5721 10.5721 11.4496 11.4496 k = 0.1250 0.2165-0.0000 ( 6620 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4299 -36.4299 -36.1419 -36.1419 -36.1409 -36.1409 -5.2320 -5.2320 -3.7143 -3.7143 1.1615 1.1615 3.5004 3.5004 4.2248 4.2248 5.3133 5.3133 6.3409 6.3409 6.6187 6.6187 9.9981 9.9981 10.5036 10.5036 10.5275 10.5275 11.4201 11.4201 k = 0.1190 0.2062-0.0000 ( 6620 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4299 -36.4299 -36.1419 -36.1419 -36.1409 -36.1409 -5.2731 -5.2731 -3.7393 -3.7393 1.1112 1.1112 3.6193 3.6193 4.3517 4.3517 5.4152 5.4152 6.4261 6.4261 6.6786 6.6786 10.0148 10.0148 10.4669 10.4669 10.4871 10.4871 11.3922 11.3922 k = 0.1131 0.1959-0.0000 ( 6623 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4298 -36.4298 -36.1418 -36.1418 -36.1408 -36.1408 -5.3124 -5.3124 -3.7638 -3.7638 1.0631 1.0631 3.7409 3.7409 4.4769 4.4769 5.5183 5.5183 6.5075 6.5075 6.7361 6.7361 10.0256 10.0256 10.4319 10.4319 10.4518 10.4518 11.3657 11.3657 k = 0.1071 0.1856-0.0000 ( 6629 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4298 -36.4298 -36.1417 -36.1417 -36.1408 -36.1408 -5.3500 -5.3500 -3.7877 -3.7877 1.0174 1.0174 3.8650 3.8650 4.5995 4.5995 5.6227 5.6227 6.5842 6.5842 6.7918 6.7918 10.0308 10.0308 10.3983 10.3983 10.4223 10.4223 11.3400 11.3400 k = 0.1012 0.1753-0.0000 ( 6637 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4298 -36.4298 -36.1417 -36.1417 -36.1408 -36.1408 -5.3858 -5.3858 -3.8108 -3.8108 0.9740 0.9740 3.9910 3.9910 4.7186 4.7186 5.7289 5.7289 6.6550 6.6550 6.8463 6.8463 10.0304 10.0304 10.3656 10.3656 10.3995 10.3995 11.3145 11.3145 k = 0.0952 0.1650-0.0000 ( 6627 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1416 -36.1416 -36.1408 -36.1408 -5.4197 -5.4197 -3.8331 -3.8331 0.9329 0.9329 4.1187 4.1187 4.8334 4.8334 5.8371 5.8371 6.7188 6.7188 6.9005 6.9005 10.0247 10.0247 10.3336 10.3336 10.3844 10.3844 11.2883 11.2883 k = 0.0893 0.1546-0.0000 ( 6621 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1415 -36.1415 -36.1408 -36.1408 -5.4518 -5.4518 -3.8544 -3.8544 0.8943 0.8943 4.2477 4.2477 4.9429 4.9429 5.9475 5.9475 6.7746 6.7746 6.9549 6.9549 10.0138 10.0138 10.3019 10.3019 10.3770 10.3770 11.2602 11.2602 k = 0.0833 0.1443-0.0000 ( 6625 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1415 -36.1415 -36.1408 -36.1408 -5.4819 -5.4819 -3.8747 -3.8747 0.8580 0.8580 4.3773 4.3773 5.0464 5.0464 6.0601 6.0601 6.8220 6.8220 7.0095 7.0095 9.9986 9.9986 10.2701 10.2701 10.3771 10.3771 11.2287 11.2287 k = 0.0774 0.1340-0.0000 ( 6629 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1414 -36.1414 -36.1408 -36.1408 -5.5101 -5.5101 -3.8940 -3.8940 0.8242 0.8242 4.5070 4.5070 5.1431 5.1431 6.1746 6.1746 6.8618 6.8618 7.0635 7.0635 9.9799 9.9799 10.2380 10.2380 10.3839 10.3839 11.1924 11.1924 k = 0.0714 0.1237-0.0000 ( 6629 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1414 -36.1414 -36.1408 -36.1408 -5.5363 -5.5363 -3.9120 -3.9120 0.7928 0.7928 4.6363 4.6363 5.2326 5.2326 6.2903 6.2903 6.8948 6.8948 7.1160 7.1160 9.9587 9.9587 10.2052 10.2052 10.3965 10.3965 11.1496 11.1496 k = 0.0655 0.1134-0.0000 ( 6621 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1413 -36.1413 -36.1408 -36.1408 -5.5605 -5.5605 -3.9288 -3.9288 0.7639 0.7639 4.7642 4.7642 5.3147 5.3147 6.4061 6.4061 6.9224 6.9224 7.1657 7.1657 9.9360 9.9360 10.1712 10.1712 10.4138 10.4138 11.0997 11.0997 k = 0.0595 0.1031-0.0000 ( 6617 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1413 -36.1413 -36.1408 -36.1408 -5.5826 -5.5826 -3.9444 -3.9444 0.7375 0.7375 4.8900 4.8900 5.3893 5.3893 6.5198 6.5198 6.9464 6.9464 7.2119 7.2119 9.9124 9.9124 10.1358 10.1358 10.4349 10.4349 11.0434 11.0434 k = 0.0536 0.0928-0.0000 ( 6609 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1408 -36.1408 -5.6027 -5.6027 -3.9586 -3.9586 0.7136 0.7136 5.0125 5.0125 5.4565 5.4565 6.6279 6.6279 6.9693 6.9693 7.2541 7.2541 9.8884 9.8884 10.0990 10.0990 10.4588 10.4588 10.9829 10.9829 k = 0.0476 0.0825-0.0000 ( 6611 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1408 -36.1408 -5.6208 -5.6208 -3.9714 -3.9714 0.6921 0.6921 5.1302 5.1302 5.5165 5.5165 6.7241 6.7241 6.9960 6.9960 7.2921 7.2921 9.8645 9.8645 10.0609 10.0609 10.4847 10.4847 10.9216 10.9216 k = 0.0417 0.0722-0.0000 ( 6601 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1407 -36.1407 -5.6367 -5.6367 -3.9828 -3.9828 0.6731 0.6731 5.2416 5.2416 5.5700 5.5700 6.7982 6.7982 7.0348 7.0348 7.3260 7.3260 9.8409 9.8409 10.0221 10.0221 10.5117 10.5117 10.8629 10.8629 k = 0.0357 0.0619-0.0000 ( 6599 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1407 -36.1407 -5.6506 -5.6506 -3.9928 -3.9928 0.6567 0.6567 5.3444 5.3444 5.6176 5.6176 6.8423 6.8423 7.0910 7.0910 7.3566 7.3566 9.8179 9.8179 9.9836 9.9836 10.5391 10.5391 10.8097 10.8097 k = 0.0298 0.0515-0.0000 ( 6589 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6623 -5.6623 -4.0013 -4.0013 0.6428 0.6428 5.4357 5.4357 5.6603 5.6603 6.8614 6.8614 7.1569 7.1569 7.3851 7.3851 9.7961 9.7961 9.9468 9.9468 10.5661 10.5661 10.7639 10.7639 k = 0.0238 0.0412-0.0000 ( 6599 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6720 -5.6720 -4.0082 -4.0082 0.6314 0.6314 5.5123 5.5123 5.6991 5.6991 6.8658 6.8658 7.2191 7.2191 7.4129 7.4129 9.7759 9.7759 9.9135 9.9135 10.5921 10.5921 10.7264 10.7264 k = 0.0179 0.0309-0.0000 ( 6595 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6795 -5.6795 -4.0137 -4.0137 0.6225 0.6225 5.5711 5.5711 5.7346 5.7346 6.8631 6.8631 7.2680 7.2680 7.4411 7.4411 9.7584 9.7584 9.8853 9.8853 10.6162 10.6162 10.6976 10.6976 k = 0.0119 0.0206-0.0000 ( 6593 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6848 -5.6848 -4.0176 -4.0176 0.6162 0.6162 5.6109 5.6109 5.7650 5.7650 6.8578 6.8578 7.3003 7.3003 7.4673 7.4673 9.7447 9.7447 9.8639 9.8639 10.6377 10.6377 10.6773 10.6773 k = 0.0060 0.0103-0.0000 ( 6593 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6880 -5.6880 -4.0199 -4.0199 0.6123 0.6123 5.6332 5.6332 5.7862 5.7862 6.8533 6.8533 7.3177 7.3177 7.4864 7.4864 9.7358 9.7358 9.8505 9.8505 10.6540 10.6540 10.6655 10.6655 k = 0.0000 0.0000 0.0000 ( 6593 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6891 -5.6891 -4.0207 -4.0207 0.6111 0.6111 5.6404 5.6404 5.7938 5.7938 6.8515 6.8515 7.3232 7.3232 7.4934 7.4934 9.7328 9.7328 9.8460 9.8460 10.6590 10.6590 10.6632 10.6632 k = 0.0000 0.0000 0.0000 ( 6593 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6891 -5.6891 -4.0207 -4.0207 0.6111 0.6111 5.6404 5.6404 5.7938 5.7938 6.8515 6.8515 7.3232 7.3232 7.4934 7.4934 9.7328 9.7328 9.8460 9.8460 10.6590 10.6590 10.6632 10.6632 k = 0.0000 0.0000 0.0117 ( 6593 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6882 -5.6882 -4.0230 -4.0230 0.6159 0.6159 5.6409 5.6409 5.7944 5.7944 6.8373 6.8373 7.3200 7.3200 7.4923 7.4923 9.7392 9.7392 9.8565 9.8565 10.6590 10.6590 10.6633 10.6633 k = 0.0000 0.0000 0.0235 ( 6605 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6855 -5.6855 -4.0300 -4.0300 0.6303 0.6303 5.6426 5.6426 5.7961 5.7961 6.7951 6.7951 7.3113 7.3113 7.4890 7.4890 9.7531 9.7531 9.8924 9.8924 10.6590 10.6590 10.6635 10.6635 k = 0.0000 0.0000 0.0352 ( 6605 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6809 -5.6809 -4.0415 -4.0415 0.6541 0.6541 5.6454 5.6454 5.7989 5.7989 6.7261 6.7261 7.2989 7.2989 7.4836 7.4836 9.7663 9.7663 9.9588 9.9588 10.6592 10.6592 10.6639 10.6639 k = 0.0000 0.0000 0.0470 ( 6605 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1407 -36.1407 -5.6745 -5.6745 -4.0574 -4.0574 0.6873 0.6873 5.6492 5.6492 5.8028 5.8028 6.6329 6.6329 7.2845 7.2845 7.4761 7.4761 9.7767 9.7767 10.0532 10.0532 10.6596 10.6596 10.6646 10.6646 k = 0.0000 0.0000 0.0587 ( 6623 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.6664 -5.6664 -4.0774 -4.0774 0.7295 0.7295 5.6540 5.6540 5.8078 5.8078 6.5190 6.5190 7.2692 7.2692 7.4667 7.4667 9.7859 9.7859 10.1695 10.1695 10.6605 10.6605 10.6659 10.6659 k = 0.0000 0.0000 0.0705 ( 6617 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1411 -36.1411 -36.1408 -36.1408 -5.6565 -5.6565 -4.1012 -4.1012 0.7804 0.7804 5.6598 5.6598 5.8138 5.8138 6.3884 6.3884 7.2533 7.2533 7.4554 7.4554 9.7951 9.7951 10.3019 10.3019 10.6619 10.6619 10.6677 10.6677 k = 0.0000 0.0000 0.0822 ( 6599 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1410 -36.1410 -36.1408 -36.1408 -5.6449 -5.6449 -4.1284 -4.1284 0.8397 0.8397 5.6665 5.6665 5.8208 5.8208 6.2447 6.2447 7.2369 7.2369 7.4424 7.4424 9.8047 9.8047 10.4448 10.4448 10.6642 10.6642 10.6704 10.6704 k = 0.0000 0.0000 0.0940 ( 6587 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1410 -36.1410 -36.1407 -36.1407 -5.6316 -5.6316 -4.1588 -4.1588 0.9071 0.9071 5.6739 5.6739 5.8286 5.8286 6.0911 6.0911 7.2199 7.2199 7.4278 7.4278 9.8152 9.8152 10.5877 10.5877 10.6679 10.6679 10.6741 10.6741 k = 0.0000 0.0000 0.1057 ( 6581 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1410 -36.1410 -36.1407 -36.1407 -5.6168 -5.6168 -4.1919 -4.1919 0.9821 0.9821 5.6816 5.6816 5.8372 5.8372 5.9306 5.9306 7.2023 7.2023 7.4119 7.4119 9.8267 9.8267 10.6580 10.6580 10.6731 10.6731 10.6791 10.6791 k = 0.0000 0.0000 0.1175 ( 6581 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1410 -36.1410 -36.1407 -36.1407 -5.6004 -5.6004 -4.2273 -4.2273 1.0642 1.0642 5.6864 5.6864 5.7683 5.7683 5.8465 5.8465 7.1841 7.1841 7.3949 7.3949 9.8393 9.8393 10.6463 10.6463 10.6769 10.6769 10.6854 10.6854 k = 0.0000 0.0000 0.1292 ( 6581 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1410 -36.1410 -36.1407 -36.1407 -5.5826 -5.5826 -4.2646 -4.2646 1.1531 1.1531 5.5874 5.5874 5.7067 5.7067 5.8564 5.8564 7.1656 7.1656 7.3770 7.3770 9.8530 9.8530 10.6213 10.6213 10.6838 10.6838 10.6933 10.6933 k = 0.0000 0.0000 0.1410 ( 6569 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1410 -36.1410 -36.1407 -36.1407 -5.5635 -5.5635 -4.3033 -4.3033 1.2483 1.2483 5.4172 5.4172 5.7144 5.7144 5.8668 5.8668 7.1467 7.1467 7.3584 7.3584 9.8678 9.8678 10.5930 10.5930 10.6926 10.6926 10.7029 10.7029 k = 0.0000 0.0000 0.1527 ( 6581 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1410 -36.1410 -36.1407 -36.1407 -5.5432 -5.5432 -4.3430 -4.3430 1.3492 1.3492 5.2438 5.2438 5.7243 5.7243 5.8774 5.8774 7.1276 7.1276 7.3395 7.3395 9.8838 9.8838 10.5630 10.5630 10.7031 10.7031 10.7143 10.7143 k = 0.0000 0.0000 0.1645 ( 6593 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1410 -36.1410 -36.1407 -36.1407 -5.5218 -5.5218 -4.3832 -4.3832 1.4555 1.4555 5.0698 5.0698 5.7347 5.7347 5.8883 5.8883 7.1087 7.1087 7.3204 7.3204 9.9009 9.9009 10.5319 10.5319 10.7154 10.7154 10.7275 10.7275 k = 0.0000 0.0000 0.1762 ( 6599 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4294 -36.4294 -36.1410 -36.1410 -36.1408 -36.1408 -5.4997 -5.4997 -4.4235 -4.4235 1.5664 1.5664 4.8964 4.8964 5.7453 5.7453 5.8991 5.8991 7.0901 7.0901 7.3016 7.3016 9.9191 9.9191 10.5002 10.5002 10.7297 10.7297 10.7426 10.7426 k = 0.0000 0.0000 0.1880 ( 6623 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.4771 -5.4771 -4.4633 -4.4633 1.6813 1.6813 4.7245 4.7245 5.7557 5.7557 5.9098 5.9098 7.0722 7.0722 7.2833 7.2833 9.9383 9.9383 10.4681 10.4681 10.7459 10.7459 10.7596 10.7596 k = 0.0000 0.0000 0.1997 ( 6635 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.4543 -5.4543 -4.5021 -4.5021 1.7996 1.7996 4.5550 4.5550 5.7658 5.7658 5.9201 5.9201 7.0551 7.0551 7.2659 7.2659 9.9586 9.9586 10.4358 10.4358 10.7640 10.7640 10.7784 10.7784 k = 0.0000 0.0000 0.2115 ( 6635 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.4316 -5.4316 -4.5392 -4.5392 1.9202 1.9202 4.3890 4.3890 5.7754 5.7754 5.9298 5.9298 7.0391 7.0391 7.2495 7.2495 9.9798 9.9798 10.4037 10.4037 10.7839 10.7839 10.7989 10.7989 k = 0.0000 0.0000 0.2232 ( 6647 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.4096 -5.4096 -4.5741 -4.5741 2.0418 2.0418 4.2280 4.2280 5.7842 5.7842 5.9387 5.9387 7.0246 7.0246 7.2346 7.2346 10.0018 10.0018 10.3719 10.3719 10.8056 10.8056 10.8210 10.8210 k = 0.0000 0.0000 0.2350 ( 6635 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3890 -5.3890 -4.6060 -4.6060 2.1625 2.1625 4.0739 4.0739 5.7921 5.7921 5.9467 5.9467 7.0117 7.0117 7.2214 7.2214 10.0244 10.0244 10.3408 10.3408 10.8287 10.8287 10.8443 10.8443 k = 0.0000 0.0000 0.2467 ( 6635 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3703 -5.3703 -4.6339 -4.6339 2.2793 2.2793 3.9297 3.9297 5.7988 5.7988 5.9535 5.9535 7.0008 7.0008 7.2103 7.2103 10.0473 10.0473 10.3109 10.3109 10.8529 10.8529 10.8683 10.8683 k = 0.0000 0.0000 0.2585 ( 6634 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3545 -5.3545 -4.6571 -4.6571 2.3876 2.3876 3.8001 3.8001 5.8042 5.8042 5.9590 5.9590 6.9921 6.9921 7.2013 7.2013 10.0699 10.0699 10.2828 10.2828 10.8774 10.8774 10.8920 10.8920 k = 0.0000 0.0000 0.2702 ( 6652 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3424 -5.3424 -4.6745 -4.6745 2.4796 2.4796 3.6929 3.6929 5.8082 5.8082 5.9631 5.9631 6.9857 6.9857 7.1947 7.1947 10.0908 10.0908 10.2579 10.2579 10.9006 10.9006 10.9136 10.9136 k = 0.0000 0.0000 0.2820 ( 6652 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3348 -5.3348 -4.6853 -4.6853 2.5438 2.5438 3.6195 3.6195 5.8107 5.8107 5.9655 5.9655 6.9818 6.9818 7.1907 7.1907 10.1072 10.1072 10.2391 10.2391 10.9191 10.9191 10.9298 10.9298 k = 0.0000 0.0000 0.2937 ( 6646 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3322 -5.3322 -4.6890 -4.6890 2.5673 2.5673 3.5929 3.5929 5.8115 5.8115 5.9664 5.9664 6.9805 6.9805 7.1894 7.1894 10.1138 10.1138 10.2317 10.2317 10.9267 10.9267 10.9361 10.9361 k = 0.0000 0.0000 0.2937 ( 6646 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3322 -5.3322 -4.6890 -4.6890 2.5673 2.5673 3.5929 3.5929 5.8115 5.8115 5.9664 5.9664 6.9805 6.9805 7.1894 7.1894 10.1138 10.1138 10.2317 10.2317 10.9267 10.9267 10.9361 10.9361 k = 0.0104 0.0060 0.2937 ( 6652 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3311 -5.3311 -4.6880 -4.6880 2.5683 2.5683 3.5923 3.5923 5.8069 5.8069 5.9614 5.9614 6.9731 6.9731 7.1813 7.1813 10.1242 10.1242 10.2368 10.2368 10.9269 10.9269 10.9383 10.9383 k = 0.0208 0.0120 0.2937 ( 6648 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3281 -5.3281 -4.6850 -4.6850 2.5713 2.5713 3.5903 3.5903 5.7932 5.7932 5.9469 5.9469 6.9498 6.9498 7.1587 7.1587 10.1544 10.1544 10.2517 10.2517 10.9232 10.9232 10.9496 10.9496 k = 0.0312 0.0180 0.2937 ( 6648 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3230 -5.3230 -4.6800 -4.6800 2.5764 2.5764 3.5869 3.5869 5.7699 5.7699 5.9239 5.9239 6.9078 6.9078 7.1266 7.1266 10.2005 10.2005 10.2752 10.2752 10.9157 10.9157 10.9709 10.9709 k = 0.0417 0.0241 0.2937 ( 6644 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3159 -5.3159 -4.6731 -4.6731 2.5834 2.5834 3.5819 3.5819 5.7369 5.7369 5.8940 5.8940 6.8444 6.8444 7.0902 7.0902 10.2549 10.2549 10.3065 10.3065 10.9077 10.9077 11.0014 11.0014 k = 0.0521 0.0301 0.2937 ( 6642 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1408 -36.1408 -5.3067 -5.3067 -4.6641 -4.6641 2.5923 2.5923 3.5749 3.5749 5.6940 5.6940 5.8589 5.8589 6.7598 6.7598 7.0528 7.0528 10.3021 10.3021 10.3487 10.3487 10.9040 10.9040 11.0389 11.0389 k = 0.0625 0.0361 0.2937 ( 6634 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1408 -36.1408 -5.2955 -5.2955 -4.6532 -4.6532 2.6032 2.6032 3.5657 3.5657 5.6420 5.6420 5.8199 5.8199 6.6566 6.6566 7.0150 7.0150 10.3303 10.3303 10.3967 10.3967 10.9135 10.9135 11.0544 11.0544 k = 0.0729 0.0421 0.2937 ( 6624 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1408 -36.1408 -5.2824 -5.2824 -4.6404 -4.6404 2.6160 2.6160 3.5538 3.5538 5.5819 5.5819 5.7779 5.7779 6.5388 6.5388 6.9761 6.9761 10.3412 10.3412 10.4307 10.4307 10.9474 10.9474 11.0775 11.0775 k = 0.0833 0.0481 0.2937 ( 6628 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1408 -36.1408 -5.2672 -5.2672 -4.6256 -4.6256 2.6307 2.6307 3.5385 3.5385 5.5157 5.5157 5.7333 5.7333 6.4099 6.4099 6.9354 6.9354 10.3340 10.3340 10.4408 10.4408 11.0111 11.0111 11.1177 11.1177 k = 0.0938 0.0541 0.2937 ( 6626 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1413 -36.1413 -36.1408 -36.1408 -5.2501 -5.2501 -4.6090 -4.6090 2.6471 2.6471 3.5194 3.5194 5.4453 5.4453 5.6863 5.6863 6.2729 6.2729 6.8926 6.8926 10.3079 10.3079 10.4300 10.4300 11.0985 11.0985 11.1760 11.1760 k = 0.1042 0.0601 0.2937 ( 6618 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1413 -36.1413 -36.1408 -36.1408 -5.2310 -5.2310 -4.5905 -4.5905 2.6652 2.6652 3.4956 3.4956 5.3729 5.3729 5.6370 5.6370 6.1300 6.1300 6.8476 6.8476 10.2651 10.2651 10.4053 10.4053 11.1926 11.1926 11.2566 11.2566 k = 0.1146 0.0662 0.2937 ( 6618 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1413 -36.1413 -36.1408 -36.1408 -5.2100 -5.2100 -4.5702 -4.5702 2.6850 2.6850 3.4665 3.4665 5.3001 5.3001 5.5853 5.5853 5.9836 5.9836 6.8006 6.8006 10.2096 10.2096 10.3717 10.3717 11.2748 11.2748 11.3653 11.3653 k = 0.1250 0.0722 0.2937 ( 6618 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1414 -36.1414 -36.1408 -36.1408 -5.1871 -5.1871 -4.5481 -4.5481 2.7063 2.7063 3.4313 3.4313 5.2287 5.2287 5.5312 5.5312 5.8357 5.8357 6.7518 6.7518 10.1453 10.1453 10.3318 10.3318 11.3451 11.3451 11.4909 11.4909 k = 0.1354 0.0782 0.2937 ( 6622 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1415 -36.1415 -36.1408 -36.1408 -5.1623 -5.1623 -4.5243 -4.5243 2.7290 2.7290 3.3894 3.3894 5.1597 5.1597 5.4739 5.4739 5.6893 5.6893 6.7015 6.7015 10.0752 10.0752 10.2875 10.2875 11.4037 11.4037 11.6222 11.6222 k = 0.1458 0.0842 0.2937 ( 6616 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1415 -36.1415 -36.1408 -36.1408 -5.1357 -5.1357 -4.4989 -4.4989 2.7528 2.7528 3.3401 3.3401 5.0932 5.0932 5.4100 5.4100 5.5501 5.5501 6.6499 6.6499 10.0015 10.0015 10.2400 10.2400 11.4468 11.4468 11.7521 11.7521 k = 0.1562 0.0902 0.2937 ( 6614 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1415 -36.1415 -36.1408 -36.1408 -5.1073 -5.1073 -4.4718 -4.4718 2.7776 2.7776 3.2832 3.2832 5.0280 5.0280 5.3290 5.3290 5.4325 5.4325 6.5975 6.5975 9.9256 9.9256 10.1901 10.1901 11.4703 11.4703 11.8749 11.8749 k = 0.1667 0.0962 0.2937 ( 6610 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1416 -36.1416 -36.1408 -36.1408 -5.0771 -5.0771 -4.4431 -4.4431 2.8030 2.8030 3.2187 3.2187 4.9593 4.9593 5.2244 5.2244 5.3493 5.3493 6.5444 6.5444 9.8485 9.8485 10.1386 10.1386 11.4720 11.4720 11.9915 11.9915 k = 0.1771 0.1022 0.2937 ( 6610 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4298 -36.4298 -36.1417 -36.1417 -36.1408 -36.1408 -5.0452 -5.0452 -4.4130 -4.4130 2.8285 2.8285 3.1469 3.1469 4.8774 4.8774 5.1237 5.1237 5.2844 5.2844 6.4909 6.4909 9.7710 9.7710 10.0862 10.0862 11.4520 11.4520 12.1023 12.1023 k = 0.1875 0.1083 0.2937 ( 6614 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4298 -36.4298 -36.1417 -36.1417 -36.1408 -36.1408 -5.0116 -5.0116 -4.3815 -4.3815 2.8532 2.8532 3.0687 3.0687 4.7737 4.7737 5.0489 5.0489 5.2256 5.2256 6.4374 6.4374 9.6935 9.6935 10.0332 10.0332 11.4120 11.4120 12.1972 12.1972 k = 0.1979 0.1143 0.2937 ( 6614 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4298 -36.4298 -36.1418 -36.1418 -36.1408 -36.1408 -4.9764 -4.9764 -4.3487 -4.3487 2.8743 2.8743 2.9869 2.9869 4.6520 4.6520 5.0001 5.0001 5.1696 5.1696 6.3840 6.3840 9.6167 9.6167 9.9802 9.9802 11.3554 11.3554 12.2290 12.2290 k = 0.2083 0.1203 0.2937 ( 6622 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4299 -36.4299 -36.1419 -36.1419 -36.1408 -36.1408 -4.9397 -4.9397 -4.3147 -4.3147 2.8658 2.8658 2.9277 2.9277 4.5227 4.5227 4.9686 4.9686 5.1160 5.1160 6.3311 6.3311 9.5406 9.5406 9.9275 9.9275 11.2854 11.2854 12.1861 12.1861 k = 0.2188 0.1263 0.2937 ( 6622 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4299 -36.4299 -36.1420 -36.1420 -36.1408 -36.1408 -4.9014 -4.9014 -4.2796 -4.2796 2.7850 2.7850 2.9332 2.9332 4.3930 4.3930 4.9469 4.9469 5.0659 5.0659 6.2787 6.2787 9.4658 9.4658 9.8753 9.8753 11.2052 11.2052 12.1049 12.1049 k = 0.2292 0.1323 0.2937 ( 6610 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4763 -69.4763 -36.4299 -36.4299 -36.1420 -36.1420 -36.1408 -36.1408 -4.8617 -4.8617 -4.2435 -4.2435 2.6881 2.6881 2.9467 2.9467 4.2680 4.2680 4.9284 4.9284 5.0225 5.0225 6.2271 6.2271 9.3924 9.3924 9.8238 9.8238 11.1175 11.1175 12.0039 12.0039 k = 0.2396 0.1383 0.2937 ( 6602 PWs) bands (ev): -93.7146 -93.7146 -93.7139 -93.7139 -69.4763 -69.4763 -36.4300 -36.4300 -36.1421 -36.1421 -36.1408 -36.1408 -4.8207 -4.8207 -4.2065 -4.2065 2.5868 2.5868 2.9551 2.9551 4.1514 4.1514 4.9042 4.9042 4.9925 4.9925 6.1765 6.1765 9.3205 9.3205 9.7732 9.7732 11.0244 11.0244 11.8913 11.8913 k = 0.2500 0.1443 0.2937 ( 6602 PWs) bands (ev): -93.7146 -93.7146 -93.7139 -93.7139 -69.4763 -69.4763 -36.4300 -36.4300 -36.1422 -36.1422 -36.1408 -36.1408 -4.7785 -4.7785 -4.1688 -4.1688 2.4833 2.4833 2.9540 2.9540 4.0471 4.0471 4.8687 4.8687 4.9805 4.9805 6.1270 6.1270 9.2505 9.2505 9.7238 9.7238 10.9279 10.9279 11.7716 11.7716 k = 0.2604 0.1504 0.2937 ( 6594 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4300 -36.4300 -36.1422 -36.1422 -36.1408 -36.1408 -4.7350 -4.7350 -4.1306 -4.1306 2.3787 2.3787 2.9399 2.9399 3.9593 3.9593 4.8262 4.8262 4.9811 4.9811 6.0787 6.0787 9.1824 9.1824 9.6755 9.6755 10.8294 10.8294 11.6477 11.6477 k = 0.2708 0.1564 0.2937 ( 6600 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4301 -36.4301 -36.1423 -36.1423 -36.1408 -36.1408 -4.6906 -4.6906 -4.0919 -4.0919 2.2739 2.2739 2.9094 2.9094 3.8914 3.8914 4.7816 4.7816 4.9886 4.9886 6.0319 6.0319 9.1165 9.1165 9.6285 9.6285 10.7300 10.7300 11.5214 11.5214 k = 0.2812 0.1624 0.2937 ( 6608 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4301 -36.4301 -36.1424 -36.1424 -36.1409 -36.1409 -4.6452 -4.6452 -4.0530 -4.0530 2.1697 2.1697 2.8607 2.8607 3.8455 3.8455 4.7370 4.7370 5.0002 5.0002 5.9866 5.9866 9.0529 9.0529 9.5829 9.5829 10.6307 10.6307 11.3941 11.3941 k = 0.2917 0.1684 0.2937 ( 6616 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4302 -36.4302 -36.1425 -36.1425 -36.1409 -36.1409 -4.5989 -4.5989 -4.0141 -4.0141 2.0668 2.0668 2.7943 2.7943 3.8212 3.8212 4.6934 4.6934 5.0145 5.0145 5.9429 5.9429 8.9919 8.9919 9.5386 9.5386 10.5325 10.5325 11.2669 11.2669 k = 0.3021 0.1744 0.2937 ( 6616 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4302 -36.4302 -36.1425 -36.1425 -36.1409 -36.1409 -4.5521 -4.5521 -3.9754 -3.9754 1.9658 1.9658 2.7133 2.7133 3.8157 3.8157 4.6511 4.6511 5.0305 5.0305 5.9009 5.9009 8.9337 8.9337 9.4957 9.4957 10.4360 10.4360 11.1408 11.1408 k = 0.3125 0.1804 0.2937 ( 6604 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4302 -36.4302 -36.1426 -36.1426 -36.1409 -36.1409 -4.5047 -4.5047 -3.9370 -3.9370 1.8674 1.8674 2.6213 2.6213 3.8255 3.8255 4.6104 4.6104 5.0474 5.0474 5.8607 5.8607 8.8785 8.8785 9.4541 9.4541 10.3418 10.3418 11.0163 11.0163 k = 0.3229 0.1864 0.2937 ( 6614 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4303 -36.4303 -36.1427 -36.1427 -36.1409 -36.1409 -4.4570 -4.4570 -3.8993 -3.8993 1.7720 1.7720 2.5221 2.5221 3.8468 3.8468 4.5716 4.5716 5.0646 5.0646 5.8225 5.8225 8.8266 8.8266 9.4138 9.4138 10.2506 10.2506 10.8942 10.8942 k = 0.3333 0.1925 0.2937 ( 6610 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4303 -36.4303 -36.1427 -36.1427 -36.1409 -36.1409 -4.4091 -4.4091 -3.8625 -3.8625 1.6803 1.6803 2.4188 2.4188 3.8766 3.8766 4.5347 4.5347 5.0815 5.0815 5.7862 5.7862 8.7782 8.7782 9.3746 9.3746 10.1628 10.1628 10.7749 10.7749 k = 0.3438 0.1985 0.2937 ( 6628 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4304 -36.4304 -36.1428 -36.1428 -36.1409 -36.1409 -4.3613 -4.3613 -3.8268 -3.8268 1.5926 1.5926 2.3138 2.3138 3.9125 3.9125 4.4999 4.4999 5.0977 5.0977 5.7520 5.7520 8.7337 8.7337 9.3362 9.3362 10.0790 10.0790 10.6591 10.6591 k = 0.3542 0.2045 0.2937 ( 6632 PWs) bands (ev): -93.7145 -93.7145 -93.7140 -93.7140 -69.4763 -69.4763 -36.4304 -36.4304 -36.1429 -36.1429 -36.1409 -36.1409 -4.3138 -4.3138 -3.7925 -3.7925 1.5096 1.5096 2.2089 2.2089 3.9528 3.9528 4.4673 4.4673 5.1125 5.1125 5.7198 5.7198 8.6934 8.6934 9.2985 9.2985 9.9996 9.9996 10.5472 10.5472 k = 0.3646 0.2105 0.2937 ( 6632 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4304 -36.4304 -36.1430 -36.1430 -36.1409 -36.1409 -4.2668 -4.2668 -3.7599 -3.7599 1.4316 1.4316 2.1055 2.1055 3.9960 3.9960 4.4371 4.4371 5.1257 5.1257 5.6898 5.6898 8.6576 8.6576 9.2611 9.2611 9.9252 9.9252 10.4398 10.4398 k = 0.3750 0.2165 0.2937 ( 6632 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4305 -36.4305 -36.1430 -36.1430 -36.1409 -36.1409 -4.2207 -4.2207 -3.7292 -3.7292 1.3590 1.3590 2.0047 2.0047 4.0409 4.0409 4.4095 4.4095 5.1368 5.1368 5.6620 5.6620 8.6267 8.6267 9.2237 9.2237 9.8562 9.8562 10.3372 10.3372 k = 0.3854 0.2225 0.2937 ( 6632 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4305 -36.4305 -36.1431 -36.1431 -36.1409 -36.1409 -4.1757 -4.1757 -3.7006 -3.7006 1.2923 1.2923 1.9075 1.9075 4.0862 4.0862 4.3849 4.3849 5.1455 5.1455 5.6364 5.6364 8.6010 8.6010 9.1857 9.1857 9.7931 9.7931 10.2401 10.2401 k = 0.3958 0.2285 0.2937 ( 6632 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4305 -36.4305 -36.1431 -36.1431 -36.1409 -36.1409 -4.1322 -4.1322 -3.6744 -3.6744 1.2317 1.2317 1.8145 1.8145 4.1306 4.1306 4.3638 4.3638 5.1517 5.1517 5.6131 5.6131 8.5808 8.5808 9.1468 9.1468 9.7365 9.7365 10.1487 10.1487 k = 0.4062 0.2345 0.2937 ( 6642 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1432 -36.1432 -36.1409 -36.1409 -4.0905 -4.0905 -3.6508 -3.6508 1.1775 1.1775 1.7266 1.7266 4.1720 4.1720 4.3478 4.3478 5.1553 5.1553 5.5919 5.5919 8.5663 8.5663 9.1066 9.1066 9.6867 9.6867 10.0636 10.0636 k = 0.4167 0.2406 0.2937 ( 6640 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1432 -36.1432 -36.1409 -36.1409 -4.0512 -4.0512 -3.6300 -3.6300 1.1301 1.1301 1.6445 1.6445 4.2066 4.2066 4.3397 4.3397 5.1563 5.1563 5.5730 5.5730 8.5577 8.5577 9.0647 9.0647 9.6443 9.6443 9.9851 9.9851 k = 0.4271 0.2466 0.2937 ( 6636 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1432 -36.1432 -36.1409 -36.1409 -4.0145 -4.0145 -3.6120 -3.6120 1.0894 1.0894 1.5688 1.5688 4.2284 4.2284 4.3447 4.3447 5.1549 5.1549 5.5563 5.5563 8.5552 8.5552 9.0213 9.0213 9.6093 9.6093 9.9136 9.9136 k = 0.4375 0.2526 0.2937 ( 6632 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9811 -3.9811 -3.5968 -3.5968 1.0554 1.0554 1.5002 1.5002 4.2354 4.2354 4.3642 4.3642 5.1515 5.1515 5.5419 5.5419 8.5588 8.5588 8.9765 8.9765 9.5817 9.5817 9.8493 9.8493 k = 0.4479 0.2586 0.2937 ( 6632 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9514 -3.9514 -3.5845 -3.5845 1.0281 1.0281 1.4397 1.4397 4.2333 4.2333 4.3913 4.3913 5.1465 5.1465 5.5296 5.5296 8.5683 8.5683 8.9308 8.9308 9.5613 9.5613 9.7925 9.7925 k = 0.4583 0.2646 0.2937 ( 6624 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9260 -3.9260 -3.5748 -3.5748 1.0071 1.0071 1.3880 1.3880 4.2282 4.2282 4.4192 4.4192 5.1407 5.1407 5.5195 5.5195 8.5835 8.5835 8.8850 8.8850 9.5477 9.5477 9.7435 9.7435 k = 0.4688 0.2706 0.2937 ( 6624 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9055 -3.9055 -3.5677 -3.5677 0.9919 0.9919 1.3461 1.3461 4.2230 4.2230 4.4437 4.4437 5.1348 5.1348 5.5116 5.5116 8.6038 8.6038 8.8402 8.8402 9.5402 9.5402 9.7028 9.7028 k = 0.4792 0.2766 0.2937 ( 6628 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8904 -3.8904 -3.5629 -3.5629 0.9819 0.9819 1.3152 1.3152 4.2187 4.2187 4.4627 4.4627 5.1298 5.1298 5.5060 5.5060 8.6282 8.6282 8.7979 8.7979 9.5374 9.5374 9.6713 9.6713 k = 0.4896 0.2827 0.2937 ( 6628 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8811 -3.8811 -3.5601 -3.5601 0.9762 0.9762 1.2961 1.2961 4.2160 4.2160 4.4747 4.4747 5.1264 5.1264 5.5026 5.5026 8.6535 8.6535 8.7618 8.7618 9.5376 9.5376 9.6507 9.6507 k = 0.5000 0.2887 0.2937 ( 6624 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8780 -3.8780 -3.5592 -3.5592 0.9744 0.9744 1.2896 1.2896 4.2151 4.2151 4.4788 4.4788 5.1252 5.1252 5.5015 5.5015 8.6674 8.6674 8.7442 8.7442 9.5381 9.5381 9.6434 9.6434 k = 0.5000 0.2887 0.2937 ( 6624 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8780 -3.8780 -3.5592 -3.5592 0.9744 0.9744 1.2896 1.2896 4.2151 4.2151 4.4788 4.4788 5.1252 5.1252 5.5015 5.5015 8.6674 8.6674 8.7442 8.7442 9.5381 9.5381 9.6434 9.6434 k = 0.4940 0.2990 0.2937 ( 6624 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8773 -3.8773 -3.5588 -3.5588 0.9756 0.9756 1.2907 1.2907 4.2049 4.2049 4.4776 4.4776 5.1300 5.1300 5.4924 5.4924 8.6722 8.6722 8.7522 8.7522 9.5436 9.5436 9.6496 9.6496 k = 0.4881 0.3093 0.2937 ( 6636 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1434 -36.1434 -36.1409 -36.1409 -3.8753 -3.8753 -3.5577 -3.5577 0.9790 0.9790 1.2941 1.2941 4.1747 4.1747 4.4745 4.4745 5.1431 5.1431 5.4662 5.4662 8.6864 8.6864 8.7755 8.7755 9.5605 9.5605 9.6684 9.6684 k = 0.4821 0.3196 0.2937 ( 6636 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1434 -36.1434 -36.1409 -36.1409 -3.8719 -3.8719 -3.5559 -3.5559 0.9848 0.9848 1.2996 1.2996 4.1262 4.1262 4.4699 4.4699 5.1617 5.1617 5.4253 5.4253 8.7090 8.7090 8.8119 8.8119 9.5890 9.5890 9.7006 9.7006 k = 0.4762 0.3299 0.2937 ( 6632 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8672 -3.8672 -3.5533 -3.5533 0.9928 0.9928 1.3073 1.3073 4.0622 4.0622 4.4636 4.4636 5.1803 5.1803 5.3751 5.3751 8.7386 8.7386 8.8580 8.8580 9.6301 9.6301 9.7473 9.7473 k = 0.4702 0.3402 0.2937 ( 6628 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8611 -3.8611 -3.5501 -3.5501 1.0031 1.0031 1.3172 1.3172 3.9856 3.9856 4.4549 4.4549 5.1876 5.1876 5.3282 5.3282 8.7737 8.7737 8.9100 8.9100 9.6845 9.6845 9.8093 9.8093 k = 0.4643 0.3505 0.2937 ( 6630 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1410 -36.1410 -3.8538 -3.8538 -3.5463 -3.5463 1.0157 1.0157 1.3292 1.3292 3.8990 3.8990 4.4420 4.4420 5.1621 5.1621 5.3087 5.3087 8.8123 8.8123 8.9642 8.9642 9.7531 9.7531 9.8875 9.8875 k = 0.4583 0.3608 0.2937 ( 6614 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8452 -3.8452 -3.5419 -3.5419 1.0306 1.0306 1.3433 1.3433 3.8049 3.8049 4.4221 4.4221 5.1058 5.1058 5.3180 5.3180 8.8528 8.8528 9.0180 9.0180 9.8364 9.8364 9.9815 9.9815 k = 0.4524 0.3712 0.2937 ( 6610 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8354 -3.8354 -3.5370 -3.5370 1.0478 1.0478 1.3595 1.3595 3.7051 3.7051 4.3919 4.3919 5.0423 5.0423 5.3373 5.3373 8.8938 8.8938 9.0693 9.0693 9.9344 9.9344 10.0900 10.0900 k = 0.4464 0.3815 0.2937 ( 6618 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1410 -36.1410 -3.8245 -3.8245 -3.5317 -3.5317 1.0672 1.0672 1.3777 1.3777 3.6013 3.6013 4.3477 4.3477 4.9850 4.9850 5.3584 5.3584 8.9344 8.9344 9.1176 9.1176 10.0468 10.0468 10.2105 10.2105 k = 0.4405 0.3918 0.2937 ( 6618 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -3.8124 -3.8124 -3.5260 -3.5260 1.0889 1.0889 1.3979 1.3979 3.4948 3.4948 4.2870 4.2870 4.9401 4.9401 5.3786 5.3786 8.9742 8.9742 9.1629 9.1629 10.1725 10.1725 10.3393 10.3393 k = 0.4345 0.4021 0.2937 ( 6628 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -3.7992 -3.7992 -3.5201 -3.5201 1.1127 1.1127 1.4199 1.4199 3.3867 3.3867 4.2099 4.2099 4.9101 4.9101 5.3971 5.3971 9.0129 9.0129 9.2056 9.2056 10.3099 10.3099 10.4719 10.4719 k = 0.4286 0.4124 0.2937 ( 6632 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1410 -36.1410 -3.7851 -3.7851 -3.5140 -3.5140 1.1388 1.1388 1.4438 1.4438 3.2779 3.2779 4.1187 4.1187 4.8940 4.8940 5.4132 5.4132 9.0506 9.0506 9.2464 9.2464 10.4567 10.4567 10.6028 10.6028 k = 0.4226 0.4227 0.2937 ( 6632 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1410 -36.1410 -3.7701 -3.7701 -3.5078 -3.5078 1.1671 1.1671 1.4693 1.4693 3.1693 3.1693 4.0171 4.0171 4.8893 4.8893 5.4269 5.4269 9.0875 9.0875 9.2857 9.2857 10.6093 10.6093 10.7253 10.7253 k = 0.4167 0.4330 0.2937 ( 6624 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1410 -36.1410 -3.7542 -3.7542 -3.5017 -3.5017 1.1976 1.1976 1.4963 1.4963 3.0616 3.0616 3.9088 3.9088 4.8935 4.8935 5.4380 5.4380 9.1237 9.1237 9.3240 9.3240 10.7615 10.7615 10.8314 10.8314 k = 0.4107 0.4433 0.2937 ( 6620 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.7375 -3.7375 -3.4959 -3.4959 1.2301 1.2301 1.5246 1.5246 2.9555 2.9555 3.7967 3.7967 4.9044 4.9044 5.4465 5.4465 9.1596 9.1596 9.3617 9.3617 10.8980 10.8980 10.9157 10.9157 k = 0.4048 0.4536 0.2937 ( 6624 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1411 -36.1411 -3.7203 -3.7203 -3.4904 -3.4904 1.2648 1.2648 1.5540 1.5540 2.8516 2.8516 3.6832 3.6832 4.9206 4.9206 5.4523 5.4523 9.1952 9.1952 9.3988 9.3988 10.9598 10.9598 11.0065 11.0065 k = 0.3988 0.4639 0.2937 ( 6624 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1411 -36.1411 -3.7025 -3.7025 -3.4854 -3.4854 1.3015 1.3015 1.5843 1.5843 2.7505 2.7505 3.5703 3.5703 4.9408 4.9408 5.4553 5.4553 9.2306 9.2306 9.4355 9.4355 10.9760 10.9760 11.0455 11.0455 k = 0.3929 0.4743 0.2937 ( 6612 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.6843 -3.6843 -3.4811 -3.4811 1.3402 1.3402 1.6149 1.6149 2.6527 2.6527 3.4594 3.4594 4.9643 4.9643 5.4554 5.4554 9.2659 9.2659 9.4716 9.4716 10.9610 10.9610 11.0272 11.0272 k = 0.3869 0.4846 0.2937 ( 6616 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.6658 -3.6658 -3.4776 -3.4776 1.3808 1.3808 1.6455 1.6455 2.5586 2.5586 3.3522 3.3522 4.9904 4.9904 5.4526 5.4526 9.3012 9.3012 9.5068 9.5068 10.9217 10.9217 10.9798 10.9798 k = 0.3810 0.4949 0.2937 ( 6610 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.6471 -3.6471 -3.4751 -3.4751 1.4232 1.4232 1.6755 1.6755 2.4690 2.4690 3.2498 3.2498 5.0186 5.0186 5.4469 5.4469 9.3363 9.3363 9.5405 9.5405 10.8660 10.8660 10.9227 10.9227 k = 0.3750 0.5052 0.2937 ( 6610 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1411 -36.1411 -3.6285 -3.6285 -3.4739 -3.4739 1.4672 1.4672 1.7040 1.7040 2.3841 2.3841 3.1539 3.1539 5.0486 5.0486 5.4380 5.4380 9.3713 9.3713 9.5722 9.5722 10.8009 10.8009 10.8649 10.8649 k = 0.3690 0.5155 0.2937 ( 6614 PWs) bands (ev): -93.7143 -93.7143 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1411 -36.1411 -3.6100 -3.6100 -3.4739 -3.4739 1.5125 1.5125 1.7302 1.7302 2.3046 2.3046 3.0658 3.0658 5.0801 5.0801 5.4261 5.4261 9.4060 9.4060 9.6006 9.6006 10.7321 10.7321 10.8108 10.8108 k = 0.3631 0.5258 0.2937 ( 6622 PWs) bands (ev): -93.7143 -93.7143 -93.7142 -93.7142 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5919 -3.5919 -3.4756 -3.4756 1.5588 1.5588 1.7529 1.7529 2.2312 2.2312 2.9874 2.9874 5.1125 5.1125 5.4109 5.4109 9.4403 9.4403 9.6243 9.6243 10.6645 10.6645 10.7629 10.7629 k = 0.3571 0.5361 0.2937 ( 6612 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1411 -36.1411 -3.5743 -3.5743 -3.4789 -3.4789 1.6052 1.6052 1.7710 1.7710 2.1647 2.1647 2.9203 2.9203 5.1458 5.1458 5.3925 5.3925 9.4742 9.4742 9.6413 9.6413 10.6024 10.6024 10.7227 10.7227 k = 0.3512 0.5464 0.2937 ( 6616 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5573 -3.5573 -3.4841 -3.4841 1.6504 1.6504 1.7835 1.7835 2.1062 2.1062 2.8663 2.8663 5.1794 5.1794 5.3709 5.3709 9.5076 9.5076 9.6496 9.6496 10.5498 10.5498 10.6910 10.6910 k = 0.3452 0.5567 0.2937 ( 6612 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5413 -3.5413 -3.4914 -3.4914 1.6913 1.6913 1.7903 1.7903 2.0579 2.0579 2.8271 2.8271 5.2128 5.2128 5.3464 5.3464 9.5405 9.5405 9.6470 9.6470 10.5103 10.5103 10.6683 10.6683 k = 0.3393 0.5670 0.2937 ( 6612 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5263 -3.5263 -3.5009 -3.5009 1.7216 1.7216 1.7933 1.7933 2.0240 2.0240 2.8036 2.8036 5.2448 5.2448 5.3199 5.3199 9.5731 9.5731 9.6322 9.6322 10.4863 10.4863 10.6547 10.6547 k = 0.3333 0.5774 0.2937 ( 6606 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1411 -36.1411 -3.5127 -3.5127 -3.5126 -3.5126 1.7325 1.7325 1.7949 1.7949 2.0111 2.0111 2.7959 2.7959 5.2652 5.2652 5.3014 5.3014 9.6052 9.6052 9.6056 9.6056 10.4784 10.4784 10.6502 10.6502 k = 0.3333 0.5774 0.2937 ( 6606 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1411 -36.1411 -3.5127 -3.5127 -3.5126 -3.5126 1.7325 1.7325 1.7949 1.7949 2.0111 2.0111 2.7959 2.7959 5.2652 5.2652 5.3014 5.3014 9.6052 9.6052 9.6056 9.6056 10.4784 10.4784 10.6502 10.6502 k = 0.3274 0.5670 0.2937 ( 6610 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1411 -36.1411 -3.5268 -3.5268 -3.5005 -3.5005 1.7241 1.7241 1.7909 1.7909 2.0244 2.0244 2.8032 2.8032 5.2437 5.2437 5.3209 5.3209 9.5683 9.5683 9.6379 9.6379 10.4857 10.4857 10.6546 10.6546 k = 0.3214 0.5567 0.2937 ( 6614 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5435 -3.5435 -3.4900 -3.4900 1.7044 1.7044 1.7790 1.7790 2.0602 2.0602 2.8241 2.8241 5.2077 5.2077 5.3509 5.3509 9.5235 9.5235 9.6709 9.6709 10.5061 10.5061 10.6674 10.6674 k = 0.3155 0.5464 0.2937 ( 6622 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5628 -3.5628 -3.4814 -3.4814 1.6789 1.6789 1.7645 1.7645 2.1099 2.1099 2.8566 2.8566 5.1674 5.1674 5.3808 5.3808 9.4740 9.4740 9.7049 9.7049 10.5372 10.5372 10.6881 10.6881 k = 0.3095 0.5361 0.2937 ( 6626 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5846 -3.5846 -3.4748 -3.4748 1.6505 1.6505 1.7522 1.7522 2.1677 2.1677 2.8991 2.8991 5.1240 5.1240 5.4095 5.4095 9.4226 9.4226 9.7403 9.7403 10.5767 10.5767 10.7161 10.7161 k = 0.3036 0.5258 0.2937 ( 6618 PWs) bands (ev): -93.7143 -93.7143 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1411 -36.1411 -3.6091 -3.6091 -3.4705 -3.4705 1.6215 1.6215 1.7445 1.7445 2.2305 2.2305 2.9499 2.9499 5.0780 5.0780 5.4362 5.4362 9.3716 9.3716 9.7776 9.7776 10.6227 10.6227 10.7506 10.7506 k = 0.2976 0.5155 0.2937 ( 6610 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.6361 -3.6361 -3.4687 -3.4687 1.5939 1.5939 1.7424 1.7424 2.2970 2.2970 3.0078 3.0078 5.0297 5.0297 5.4606 5.4606 9.3227 9.3227 9.8173 9.8173 10.6736 10.6736 10.7909 10.7909 k = 0.2917 0.5052 0.2937 ( 6602 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.6657 -3.6657 -3.4693 -3.4693 1.5691 1.5691 1.7466 1.7466 2.3661 2.3661 3.0715 3.0715 4.9794 4.9794 5.4822 5.4822 9.2775 9.2775 9.8598 9.8598 10.7285 10.7285 10.8361 10.8361 k = 0.2857 0.4949 0.2937 ( 6604 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.6977 -3.6977 -3.4726 -3.4726 1.5482 1.5482 1.7571 1.7571 2.4374 2.4374 3.1404 3.1404 4.9274 4.9274 5.5008 5.5008 9.2370 9.2370 9.9053 9.9053 10.7862 10.7862 10.8856 10.8856 k = 0.2798 0.4846 0.2937 ( 6604 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.7320 -3.7320 -3.4787 -3.4787 1.5319 1.5319 1.7741 1.7741 2.5106 2.5106 3.2137 3.2137 4.8741 4.8741 5.5160 5.5160 9.2022 9.2022 9.9540 9.9540 10.8461 10.8461 10.9384 10.9384 k = 0.2738 0.4743 0.2937 ( 6604 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1433 -36.1433 -36.1411 -36.1411 -3.7685 -3.7685 -3.4876 -3.4876 1.5209 1.5209 1.7975 1.7975 2.5852 2.5852 3.2909 3.2909 4.8199 4.8199 5.5275 5.5275 9.1736 9.1736 10.0062 10.0062 10.9075 10.9075 10.9939 10.9939 k = 0.2679 0.4639 0.2937 ( 6600 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4307 -36.4307 -36.1432 -36.1432 -36.1411 -36.1411 -3.8072 -3.8072 -3.4993 -3.4993 1.5156 1.5156 1.8272 1.8272 2.6612 2.6612 3.3715 3.3715 4.7651 4.7651 5.5352 5.5352 9.1519 9.1519 10.0618 10.0618 10.9699 10.9699 11.0510 11.0510 k = 0.2619 0.4536 0.2937 ( 6608 PWs) bands (ev): -93.7144 -93.7144 -93.7142 -93.7142 -69.4763 -69.4763 -36.4306 -36.4306 -36.1432 -36.1432 -36.1411 -36.1411 -3.8477 -3.8477 -3.5137 -3.5137 1.5162 1.5162 1.8631 1.8631 2.7381 2.7381 3.4554 3.4554 4.7102 4.7102 5.5389 5.5389 9.1373 9.1373 10.1210 10.1210 11.0327 11.0327 11.1088 11.1088 k = 0.2560 0.4433 0.2937 ( 6604 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1432 -36.1432 -36.1411 -36.1411 -3.8900 -3.8900 -3.5310 -3.5310 1.5229 1.5229 1.9050 1.9050 2.8157 2.8157 3.5421 3.5421 4.6556 4.6556 5.5386 5.5386 9.1301 9.1301 10.1837 10.1837 11.0954 11.0954 11.1661 11.1661 k = 0.2500 0.4330 0.2937 ( 6606 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1432 -36.1432 -36.1411 -36.1411 -3.9338 -3.9338 -3.5509 -3.5509 1.5359 1.5359 1.9528 1.9528 2.8938 2.8938 3.6314 3.6314 4.6019 4.6019 5.5342 5.5342 9.1304 9.1304 10.2496 10.2496 11.1574 11.1574 11.2212 11.2212 k = 0.2440 0.4227 0.2937 ( 6614 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1431 -36.1431 -36.1411 -36.1411 -3.9790 -3.9790 -3.5735 -3.5735 1.5551 1.5551 2.0060 2.0060 2.9719 2.9719 3.7231 3.7231 4.5497 4.5497 5.5259 5.5259 9.1381 9.1381 10.3188 10.3188 11.2182 11.2182 11.2723 11.2723 k = 0.2381 0.4124 0.2937 ( 6610 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1431 -36.1431 -36.1410 -36.1410 -4.0254 -4.0254 -3.5984 -3.5984 1.5805 1.5805 2.0645 2.0645 3.0495 3.0495 3.8171 3.8171 4.4997 4.4997 5.5139 5.5139 9.1530 9.1530 10.3910 10.3910 11.2771 11.2771 11.3170 11.3170 k = 0.2321 0.4021 0.2937 ( 6608 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4305 -36.4305 -36.1430 -36.1430 -36.1410 -36.1410 -4.0728 -4.0728 -3.6257 -3.6257 1.6119 1.6119 2.1278 2.1278 3.1262 3.1262 3.9130 3.9130 4.4527 4.4527 5.4984 5.4984 9.1750 9.1750 10.4658 10.4658 11.3329 11.3329 11.3529 11.3529 k = 0.2262 0.3918 0.2937 ( 6604 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4305 -36.4305 -36.1430 -36.1430 -36.1410 -36.1410 -4.1210 -4.1210 -3.6551 -3.6551 1.6493 1.6493 2.1957 2.1957 3.2010 3.2010 4.0108 4.0108 4.4098 4.4098 5.4797 5.4797 9.2036 9.2036 10.5430 10.5430 11.3713 11.3713 11.3907 11.3907 k = 0.2202 0.3815 0.2937 ( 6604 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4305 -36.4305 -36.1430 -36.1430 -36.1410 -36.1410 -4.1698 -4.1698 -3.6865 -3.6865 1.6923 1.6923 2.2676 2.2676 3.2732 3.2732 4.1102 4.1102 4.3724 4.3724 5.4583 5.4583 9.2384 9.2384 10.6221 10.6221 11.3799 11.3799 11.4397 11.4397 k = 0.2143 0.3712 0.2937 ( 6604 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4304 -36.4304 -36.1429 -36.1429 -36.1410 -36.1410 -4.2191 -4.2191 -3.7195 -3.7195 1.7408 1.7408 2.3429 2.3429 3.3415 3.3415 4.2108 4.2108 4.3422 4.3422 5.4345 5.4345 9.2789 9.2789 10.7027 10.7027 11.3718 11.3718 11.4857 11.4857 k = 0.2083 0.3608 0.2937 ( 6600 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4304 -36.4304 -36.1428 -36.1428 -36.1410 -36.1410 -4.2686 -4.2686 -3.7541 -3.7541 1.7946 1.7946 2.4209 2.4209 3.4047 3.4047 4.3051 4.3051 4.3284 4.3284 5.4089 5.4089 9.3247 9.3247 10.7841 10.7841 11.3492 11.3492 11.5268 11.5268 k = 0.2024 0.3505 0.2937 ( 6592 PWs) bands (ev): -93.7145 -93.7145 -93.7140 -93.7140 -69.4763 -69.4763 -36.4304 -36.4304 -36.1428 -36.1428 -36.1409 -36.1409 -4.3181 -4.3181 -3.7900 -3.7900 1.8532 1.8532 2.5008 2.5008 3.4615 3.4615 4.3071 4.3071 4.4186 4.4186 5.3819 5.3819 9.3750 9.3750 10.8654 10.8654 11.3151 11.3151 11.5617 11.5617 k = 0.1964 0.3402 0.2937 ( 6604 PWs) bands (ev): -93.7145 -93.7145 -93.7140 -93.7140 -69.4763 -69.4763 -36.4303 -36.4303 -36.1427 -36.1427 -36.1409 -36.1409 -4.3677 -4.3677 -3.8271 -3.8271 1.9164 1.9164 2.5814 2.5814 3.5110 3.5110 4.3094 4.3094 4.5222 4.5222 5.3543 5.3543 9.4292 9.4292 10.9455 10.9455 11.2729 11.2729 11.5878 11.5878 k = 0.1905 0.3299 0.2937 ( 6608 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4303 -36.4303 -36.1427 -36.1427 -36.1409 -36.1409 -4.4170 -4.4170 -3.8649 -3.8649 1.9839 1.9839 2.6609 2.6609 3.5532 3.5532 4.3253 4.3253 4.6263 4.6263 5.3269 5.3269 9.4867 9.4867 11.0230 11.0230 11.2259 11.2259 11.6002 11.6002 k = 0.1845 0.3196 0.2937 ( 6604 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4303 -36.4303 -36.1426 -36.1426 -36.1409 -36.1409 -4.4659 -4.4659 -3.9035 -3.9035 2.0553 2.0553 2.7375 2.7375 3.5899 3.5899 4.3553 4.3553 4.7301 4.7301 5.3006 5.3006 9.5467 9.5467 11.0950 11.0950 11.1777 11.1777 11.5907 11.5907 k = 0.1786 0.3093 0.2937 ( 6600 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4302 -36.4302 -36.1425 -36.1425 -36.1409 -36.1409 -4.5143 -4.5143 -3.9426 -3.9426 2.1301 2.1301 2.8083 2.8083 3.6247 3.6247 4.3984 4.3984 4.8320 4.8320 5.2771 5.2771 9.6087 9.6087 11.1170 11.1170 11.1723 11.1723 11.5577 11.5577 k = 0.1726 0.2990 0.2937 ( 6600 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4302 -36.4302 -36.1425 -36.1425 -36.1409 -36.1409 -4.5622 -4.5622 -3.9819 -3.9819 2.2081 2.2081 2.8703 2.8703 3.6624 3.6624 4.4526 4.4526 4.9290 4.9290 5.2599 5.2599 9.6718 9.6718 11.0697 11.0697 11.2282 11.2282 11.5099 11.5099 k = 0.1667 0.2887 0.2937 ( 6608 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4302 -36.4302 -36.1424 -36.1424 -36.1409 -36.1409 -4.6092 -4.6092 -4.0214 -4.0214 2.2886 2.2886 2.9202 2.9202 3.7080 3.7080 4.5157 4.5157 5.0130 5.0130 5.2574 5.2574 9.7355 9.7355 11.0202 11.0202 11.2765 11.2765 11.4560 11.4560 k = 0.1607 0.2784 0.2937 ( 6614 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4301 -36.4301 -36.1424 -36.1424 -36.1409 -36.1409 -4.6554 -4.6554 -4.0607 -4.0607 2.3714 2.3714 2.9560 2.9560 3.7657 3.7657 4.5855 4.5855 5.0674 5.0674 5.2864 5.2864 9.7990 9.7990 10.9722 10.9722 11.3122 11.3122 11.4006 11.4006 k = 0.1548 0.2681 0.2937 ( 6612 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4301 -36.4301 -36.1423 -36.1423 -36.1409 -36.1409 -4.7007 -4.7007 -4.0998 -4.0998 2.4557 2.4557 2.9773 2.9773 3.8373 3.8373 4.6601 4.6601 5.0851 5.0851 5.3545 5.3545 9.8616 9.8616 10.9264 10.9264 11.3282 11.3282 11.3514 11.3514 k = 0.1488 0.2577 0.2937 ( 6604 PWs) bands (ev): -93.7146 -93.7146 -93.7140 -93.7140 -69.4763 -69.4763 -36.4300 -36.4300 -36.1422 -36.1422 -36.1409 -36.1409 -4.7449 -4.7449 -4.1386 -4.1386 2.5410 2.5410 2.9853 2.9853 3.9225 3.9225 4.7380 4.7380 5.0832 5.0832 5.4450 5.4450 9.9229 9.9229 10.8831 10.8831 11.2858 11.2858 11.3485 11.3485 k = 0.1429 0.2474 0.2937 ( 6606 PWs) bands (ev): -93.7146 -93.7146 -93.7139 -93.7139 -69.4763 -69.4763 -36.4300 -36.4300 -36.1421 -36.1421 -36.1409 -36.1409 -4.7879 -4.7879 -4.1767 -4.1767 2.6266 2.6266 2.9826 2.9826 4.0196 4.0196 4.8175 4.8175 5.0763 5.0763 5.5443 5.5443 9.9824 9.9824 10.8428 10.8428 11.2331 11.2331 11.3459 11.3459 k = 0.1369 0.2371 0.2937 ( 6606 PWs) bands (ev): -93.7146 -93.7146 -93.7139 -93.7139 -69.4763 -69.4763 -36.4300 -36.4300 -36.1421 -36.1421 -36.1409 -36.1409 -4.8297 -4.8297 -4.2142 -4.2142 2.7116 2.7116 2.9721 2.9721 4.1266 4.1266 4.8963 4.8963 5.0716 5.0716 5.6468 5.6468 10.0395 10.0395 10.8055 10.8055 11.1815 11.1815 11.3345 11.3345 k = 0.1310 0.2268 0.2937 ( 6622 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4763 -69.4763 -36.4300 -36.4300 -36.1420 -36.1420 -36.1409 -36.1409 -4.8702 -4.8702 -4.2509 -4.2509 2.7947 2.7947 2.9568 2.9568 4.2411 4.2411 4.9680 4.9680 5.0779 5.0779 5.7501 5.7501 10.0942 10.0942 10.7715 10.7715 11.1317 11.1317 11.3161 11.3161 k = 0.1250 0.2165 0.2937 ( 6626 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4299 -36.4299 -36.1420 -36.1420 -36.1409 -36.1409 -4.9093 -4.9093 -4.2866 -4.2866 2.8699 2.8699 2.9436 2.9436 4.3613 4.3613 5.0137 5.0137 5.1151 5.1151 5.8530 5.8530 10.1462 10.1462 10.7408 10.7408 11.0840 11.0840 11.2925 11.2925 k = 0.1190 0.2062 0.2937 ( 6626 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4299 -36.4299 -36.1419 -36.1419 -36.1409 -36.1409 -4.9470 -4.9470 -4.3213 -4.3213 2.8949 2.8949 2.9755 2.9755 4.4854 4.4854 5.0322 5.0322 5.1853 5.1853 5.9548 5.9548 10.1954 10.1954 10.7135 10.7135 11.0385 11.0385 11.2653 11.2653 k = 0.1131 0.1959 0.2937 ( 6628 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4299 -36.4299 -36.1418 -36.1418 -36.1409 -36.1409 -4.9832 -4.9832 -4.3549 -4.3549 2.8760 2.8760 3.0464 3.0464 4.6119 4.6119 5.0457 5.0457 5.2673 5.2673 6.0549 6.0549 10.2419 10.2419 10.6894 10.6894 10.9953 10.9953 11.2358 11.2358 k = 0.1071 0.1856 0.2937 ( 6636 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4298 -36.4298 -36.1417 -36.1417 -36.1409 -36.1409 -5.0178 -5.0178 -4.3872 -4.3872 2.8515 2.8515 3.1181 3.1181 4.7389 4.7389 5.0630 5.0630 5.3536 5.3536 6.1527 6.1527 10.2857 10.2857 10.6684 10.6684 10.9548 10.9548 11.2048 11.2048 k = 0.1012 0.1753 0.2937 ( 6632 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4298 -36.4298 -36.1417 -36.1417 -36.1409 -36.1409 -5.0508 -5.0508 -4.4182 -4.4182 2.8257 2.8257 3.1860 3.1860 4.8643 4.8643 5.0869 5.0869 5.4428 5.4428 6.2478 6.2478 10.3268 10.3268 10.6504 10.6504 10.9171 10.9171 11.1732 11.1732 k = 0.0952 0.1650 0.2937 ( 6634 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4298 -36.4298 -36.1416 -36.1416 -36.1408 -36.1408 -5.0821 -5.0821 -4.4478 -4.4478 2.7998 2.7998 3.2488 3.2488 4.9844 4.9844 5.1202 5.1202 5.5352 5.5352 6.3397 6.3397 10.3651 10.3651 10.6351 10.6351 10.8827 10.8827 11.1414 11.1414 k = 0.0893 0.1546 0.2937 ( 6630 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1416 -36.1416 -36.1408 -36.1408 -5.1117 -5.1117 -4.4760 -4.4760 2.7743 2.7743 3.3058 3.3058 5.0901 5.0901 5.1703 5.1703 5.6317 5.6317 6.4280 6.4280 10.4000 10.4000 10.6218 10.6218 10.8523 10.8523 11.1097 11.1097 k = 0.0833 0.1443 0.2937 ( 6628 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1415 -36.1415 -36.1408 -36.1408 -5.1396 -5.1396 -4.5026 -4.5026 2.7497 2.7497 3.3566 3.3566 5.1651 5.1651 5.2511 5.2511 5.7334 5.7334 6.5123 6.5123 10.4306 10.4306 10.6100 10.6100 10.8271 10.8271 11.0786 11.0786 k = 0.0774 0.1340 0.2937 ( 6628 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4297 -36.4297 -36.1414 -36.1414 -36.1408 -36.1408 -5.1657 -5.1657 -4.5276 -4.5276 2.7261 2.7261 3.4012 3.4012 5.2232 5.2232 5.3465 5.3465 5.8411 5.8411 6.5922 6.5922 10.4552 10.4552 10.5987 10.5987 10.8087 10.8087 11.0484 11.0484 k = 0.0714 0.1237 0.2937 ( 6628 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1414 -36.1414 -36.1408 -36.1408 -5.1900 -5.1900 -4.5509 -4.5509 2.7037 2.7037 3.4396 3.4396 5.2811 5.2811 5.4379 5.4379 5.9550 5.9550 6.6674 6.6674 10.4715 10.4715 10.5865 10.5865 10.7993 10.7993 11.0195 11.0195 k = 0.0655 0.1134 0.2937 ( 6628 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1413 -36.1413 -36.1408 -36.1408 -5.2125 -5.2125 -4.5726 -4.5726 2.6828 2.6828 3.4722 3.4722 5.3416 5.3416 5.5210 5.5210 6.0743 6.0743 6.7375 6.7375 10.4774 10.4774 10.5716 10.5716 10.8007 10.8007 10.9925 10.9925 k = 0.0595 0.1031 0.2937 ( 6634 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1413 -36.1413 -36.1408 -36.1408 -5.2331 -5.2331 -4.5925 -4.5925 2.6633 2.6633 3.4995 3.4995 5.4045 5.4045 5.5952 5.5952 6.1971 6.1971 6.8023 6.8023 10.4720 10.4720 10.5518 10.5518 10.8132 10.8132 10.9681 10.9681 k = 0.0536 0.0928 0.2937 ( 6628 PWs) bands (ev): -93.7147 -93.7147 -93.7139 -93.7139 -69.4764 -69.4764 -36.4296 -36.4296 -36.1413 -36.1413 -36.1408 -36.1408 -5.2518 -5.2518 -4.6106 -4.6106 2.6455 2.6455 3.5219 3.5219 5.4685 5.4685 5.6611 5.6611 6.3211 6.3211 6.8618 6.8618 10.4564 10.4564 10.5245 10.5245 10.8348 10.8348 10.9476 10.9476 k = 0.0476 0.0825 0.2937 ( 6632 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1408 -36.1408 -5.2685 -5.2685 -4.6269 -4.6269 2.6294 2.6294 3.5402 3.5402 5.5318 5.5318 5.7197 5.7197 6.4435 6.4435 6.9160 6.9160 10.4328 10.4328 10.4876 10.4876 10.8621 10.8621 10.9321 10.9321 k = 0.0417 0.0722 0.2937 ( 6628 PWs) bands (ev): -93.7147 -93.7147 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1408 -36.1408 -5.2834 -5.2834 -4.6414 -4.6414 2.6150 2.6150 3.5548 3.5548 5.5924 5.5924 5.7717 5.7717 6.5612 6.5612 6.9651 6.9651 10.4035 10.4035 10.4399 10.4399 10.8904 10.8904 10.9241 10.9241 k = 0.0357 0.0619 0.2937 ( 6632 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1412 -36.1412 -36.1408 -36.1408 -5.2963 -5.2963 -4.6539 -4.6539 2.6025 2.6025 3.5664 3.5664 5.6483 5.6483 5.8181 5.8181 6.6706 6.6706 7.0099 7.0099 10.3705 10.3705 10.3830 10.3830 10.9064 10.9064 10.9334 10.9334 k = 0.0298 0.0515 0.2937 ( 6632 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3072 -5.3072 -4.6646 -4.6646 2.5918 2.5918 3.5754 3.5754 5.6976 5.6976 5.8591 5.8591 6.7678 6.7678 7.0514 7.0514 10.3200 10.3200 10.3364 10.3364 10.9096 10.9096 10.9555 10.9555 k = 0.0238 0.0412 0.2937 ( 6640 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3162 -5.3162 -4.6734 -4.6734 2.5830 2.5830 3.5821 3.5821 5.7388 5.7388 5.8949 5.8949 6.8486 6.8486 7.0905 7.0905 10.2570 10.2570 10.3033 10.3033 10.9133 10.9133 10.9683 10.9683 k = 0.0179 0.0309 0.2937 ( 6644 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3232 -5.3232 -4.6802 -4.6802 2.5762 2.5762 3.5871 3.5871 5.7708 5.7708 5.9246 5.9246 6.9096 6.9096 7.1274 7.1274 10.1996 10.1996 10.2742 10.2742 10.9186 10.9186 10.9627 10.9627 k = 0.0119 0.0206 0.2937 ( 6646 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3282 -5.3282 -4.6851 -4.6851 2.5713 2.5713 3.5904 3.5904 5.7935 5.7935 5.9473 5.9473 6.9505 6.9505 7.1593 7.1593 10.1537 10.1537 10.2513 10.2513 10.9239 10.9239 10.9482 10.9482 k = 0.0060 0.0103 0.2937 ( 6650 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3312 -5.3312 -4.6881 -4.6881 2.5683 2.5683 3.5923 3.5923 5.8070 5.8070 5.9615 5.9615 6.9733 6.9733 7.1814 7.1814 10.1240 10.1240 10.2367 10.2367 10.9270 10.9270 10.9382 10.9382 k = 0.0000 0.0000 0.2937 ( 6646 PWs) bands (ev): -93.7148 -93.7148 -93.7138 -93.7138 -69.4764 -69.4764 -36.4295 -36.4295 -36.1411 -36.1411 -36.1408 -36.1408 -5.3322 -5.3322 -4.6890 -4.6890 2.5673 2.5673 3.5929 3.5929 5.8115 5.8115 5.9664 5.9664 6.9805 6.9805 7.1894 7.1894 10.1138 10.1138 10.2317 10.2317 10.9267 10.9267 10.9361 10.9361 k = 0.5000 0.2887 0.2937 ( 6624 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8780 -3.8780 -3.5592 -3.5592 0.9744 0.9744 1.2896 1.2896 4.2151 4.2151 4.4788 4.4788 5.1252 5.1252 5.5015 5.5015 8.6674 8.6674 8.7442 8.7442 9.5381 9.5381 9.6434 9.6434 k = 0.5000 0.2887 0.2820 ( 6632 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8788 -3.8788 -3.5584 -3.5584 0.9738 0.9738 1.2934 1.2934 4.2135 4.2135 4.4679 4.4679 5.1284 5.1284 5.5036 5.5036 8.6328 8.6328 8.7781 8.7781 9.5393 9.5393 9.6586 9.6586 k = 0.5000 0.2887 0.2702 ( 6632 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1434 -36.1434 -36.1409 -36.1409 -3.8811 -3.8811 -3.5563 -3.5563 0.9722 0.9722 1.3045 1.3045 4.2083 4.2083 4.4369 4.4369 5.1366 5.1366 5.5097 5.5097 8.5806 8.5806 8.8266 8.8266 9.5505 9.5505 9.6979 9.6979 k = 0.5000 0.2887 0.2585 ( 6636 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1434 -36.1434 -36.1409 -36.1409 -3.8848 -3.8848 -3.5529 -3.5529 0.9700 0.9700 1.3224 1.3224 4.1991 4.1991 4.3900 4.3900 5.1465 5.1465 5.5197 5.5197 8.5347 8.5347 8.8635 8.8635 9.5827 9.5827 9.7530 9.7530 k = 0.5000 0.2887 0.2467 ( 6624 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8898 -3.8898 -3.5483 -3.5483 0.9679 0.9679 1.3464 1.3464 4.1837 4.1837 4.3335 4.3335 5.1540 5.1540 5.5332 5.5332 8.5004 8.5004 8.8827 8.8827 9.6395 9.6395 9.8206 9.8206 k = 0.5000 0.2887 0.2350 ( 6620 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.8958 -3.8958 -3.5428 -3.5428 0.9665 0.9665 1.3758 1.3758 4.1567 4.1567 4.2767 4.2767 5.1558 5.1558 5.5498 5.5498 8.4803 8.4803 8.8848 8.8848 9.7172 9.7172 9.9009 9.9009 k = 0.5000 0.2887 0.2232 ( 6622 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9028 -3.9028 -3.5364 -3.5364 0.9664 0.9664 1.4097 1.4097 4.1084 4.1084 4.2327 4.2327 5.1496 5.1496 5.5694 5.5694 8.4757 8.4757 8.8740 8.8740 9.8065 9.8065 9.9968 9.9968 k = 0.5000 0.2887 0.2115 ( 6622 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9105 -3.9105 -3.5294 -3.5294 0.9680 0.9680 1.4476 1.4476 4.0384 4.0384 4.2042 4.2042 5.1338 5.1338 5.5915 5.5915 8.4870 8.4870 8.8549 8.8549 9.8979 9.8979 10.1116 10.1116 k = 0.5000 0.2887 0.1997 ( 6620 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9186 -3.9186 -3.5221 -3.5221 0.9714 0.9714 1.4890 1.4890 3.9565 3.9565 4.1837 4.1837 5.1079 5.1079 5.6159 5.6159 8.5139 8.5139 8.8313 8.8313 9.9863 9.9863 10.2453 10.2453 k = 0.5000 0.2887 0.1880 ( 6624 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9271 -3.9271 -3.5144 -3.5144 0.9770 0.9770 1.5333 1.5333 3.8693 3.8693 4.1662 4.1662 5.0720 5.0720 5.6423 5.6423 8.5549 8.5549 8.8062 8.8062 10.0707 10.0707 10.3948 10.3948 k = 0.5000 0.2887 0.1762 ( 6628 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9358 -3.9358 -3.5067 -3.5067 0.9848 0.9848 1.5801 1.5801 3.7799 3.7799 4.1499 4.1499 5.0271 5.0271 5.6702 5.6702 8.6068 8.6068 8.7834 8.7834 10.1518 10.1518 10.5562 10.5562 k = 0.5000 0.2887 0.1645 ( 6628 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9444 -3.9444 -3.4990 -3.4990 0.9947 0.9947 1.6289 1.6289 3.6901 3.6901 4.1345 4.1345 4.9742 4.9742 5.6994 5.6994 8.6587 8.6587 8.7735 8.7735 10.2300 10.2300 10.7265 10.7265 k = 0.5000 0.2887 0.1527 ( 6628 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9529 -3.9529 -3.4915 -3.4915 1.0067 1.0067 1.6793 1.6793 3.6012 3.6012 4.1196 4.1196 4.9148 4.9148 5.7292 5.7292 8.6789 8.6789 8.8073 8.8073 10.3048 10.3048 10.9032 10.9032 k = 0.5000 0.2887 0.1410 ( 6636 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1434 -36.1434 -36.1409 -36.1409 -3.9612 -3.9612 -3.4842 -3.4842 1.0206 1.0206 1.7308 1.7308 3.5142 3.5142 4.1053 4.1053 4.8506 4.8506 5.7593 5.7593 8.6667 8.6667 8.8844 8.8844 10.3753 10.3753 11.0846 11.0846 k = 0.5000 0.2887 0.1292 ( 6640 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1434 -36.1434 -36.1409 -36.1409 -3.9692 -3.9692 -3.4773 -3.4773 1.0362 1.0362 1.7827 1.7827 3.4299 3.4299 4.0917 4.0917 4.7831 4.7831 5.7892 5.7892 8.6464 8.6464 8.9793 8.9793 10.4399 10.4399 11.2688 11.2688 k = 0.5000 0.2887 0.1175 ( 6642 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1409 -36.1409 -3.9767 -3.9767 -3.4708 -3.4708 1.0531 1.0531 1.8346 1.8346 3.3490 3.3490 4.0789 4.0789 4.7140 4.7140 5.8184 5.8184 8.6251 8.6251 9.0836 9.0836 10.4968 10.4968 11.4534 11.4534 k = 0.5000 0.2887 0.1057 ( 6642 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1409 -36.1409 -3.9838 -3.9838 -3.4648 -3.4648 1.0711 1.0711 1.8858 1.8858 3.2725 3.2725 4.0670 4.0670 4.6447 4.6447 5.8464 5.8464 8.6046 8.6046 9.1943 9.1943 10.5433 10.5433 11.5606 11.5606 k = 0.5000 0.2887 0.0940 ( 6632 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9902 -3.9902 -3.4593 -3.4593 1.0896 1.0896 1.9355 1.9355 3.2010 3.2010 4.0562 4.0562 4.5769 4.5769 5.8728 5.8728 8.5857 8.5857 9.3095 9.3095 10.5770 10.5770 11.4871 11.4871 k = 0.5000 0.2887 0.0822 ( 6626 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -3.9960 -3.9960 -3.4543 -3.4543 1.1082 1.1082 1.9828 1.9828 3.1352 3.1352 4.0464 4.0464 4.5121 4.5121 5.8972 5.8972 8.5687 8.5687 9.4277 9.4277 10.5951 10.5951 11.4198 11.4198 k = 0.5000 0.2887 0.0705 ( 6626 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -4.0012 -4.0012 -3.4500 -3.4500 1.1262 1.1262 2.0269 2.0269 3.0761 3.0761 4.0378 4.0378 4.4517 4.4517 5.9193 5.9193 8.5537 8.5537 9.5476 9.5476 10.5955 10.5955 11.3605 11.3605 k = 0.5000 0.2887 0.0587 ( 6622 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -4.0056 -4.0056 -3.4463 -3.4463 1.1430 1.1430 2.0667 2.0667 3.0243 3.0243 4.0304 4.0304 4.3972 4.3972 5.9386 5.9386 8.5409 8.5409 9.6681 9.6681 10.5771 10.5771 11.3098 11.3098 k = 0.5000 0.2887 0.0470 ( 6630 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1433 -36.1433 -36.1409 -36.1409 -4.0093 -4.0093 -3.4432 -3.4432 1.1579 1.1579 2.1012 2.1012 2.9807 2.9807 4.0244 4.0244 4.3501 4.3501 5.9549 5.9549 8.5303 8.5303 9.7878 9.7878 10.5399 10.5399 11.2678 11.2678 k = 0.5000 0.2887 0.0352 ( 6640 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4306 -36.4306 -36.1434 -36.1434 -36.1409 -36.1409 -4.0122 -4.0122 -3.4408 -3.4408 1.1704 1.1704 2.1293 2.1293 2.9459 2.9459 4.0197 4.0197 4.3118 4.3118 5.9679 5.9679 8.5221 8.5221 9.9056 9.9056 10.4850 10.4850 11.2349 11.2349 k = 0.5000 0.2887 0.0235 ( 6652 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1410 -36.1410 -4.0142 -4.0142 -3.4391 -3.4391 1.1798 1.1798 2.1501 2.1501 2.9206 2.9206 4.0163 4.0163 4.2833 4.2833 5.9773 5.9773 8.5161 8.5161 10.0198 10.0198 10.4146 10.4146 11.2112 11.2112 k = 0.5000 0.2887 0.0117 ( 6652 PWs) bands (ev): -93.7144 -93.7144 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1410 -36.1410 -4.0155 -4.0155 -3.4380 -3.4380 1.1857 1.1857 2.1630 2.1630 2.9052 2.9052 4.0143 4.0143 4.2659 4.2659 5.9830 5.9830 8.5126 8.5126 10.1285 10.1285 10.3318 10.3318 11.1970 11.1970 k = 0.5000 0.2887-0.0000 ( 6656 PWs) bands (ev): -93.7145 -93.7145 -93.7141 -93.7141 -69.4763 -69.4763 -36.4307 -36.4307 -36.1434 -36.1434 -36.1410 -36.1410 -4.0159 -4.0159 -3.4377 -3.4377 1.1876 1.1876 2.1673 2.1673 2.9001 2.9001 4.0136 4.0136 4.2600 4.2600 5.9849 5.9849 8.5114 8.5114 10.2117 10.2117 10.2571 10.2571 11.1922 11.1922 k = 0.3333 0.5774-0.0000 ( 6606 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5350 -3.5350 -3.5344 -3.5344 1.5759 1.5759 2.3813 2.3813 2.4727 2.4727 3.6906 3.6906 3.8360 3.8360 3.8562 3.8562 7.7593 7.7593 13.0588 13.0588 13.1013 13.1013 13.3619 13.3619 k = 0.3333 0.5774 0.0117 ( 6624 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5349 -3.5349 -3.5343 -3.5343 1.5769 1.5769 2.3769 2.3769 2.4680 2.4680 3.6884 3.6884 3.8426 3.8426 3.8620 3.8620 7.7655 7.7655 12.9670 12.9670 12.9980 12.9980 13.4388 13.4388 k = 0.3333 0.5774 0.0235 ( 6630 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5346 -3.5346 -3.5341 -3.5341 1.5802 1.5802 2.3642 2.3642 2.4543 2.4543 3.6811 3.6811 3.8623 3.8623 3.8797 3.8797 7.7841 7.7841 12.7927 12.7927 12.8156 12.8156 13.5436 13.5436 k = 0.3333 0.5774 0.0352 ( 6618 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5342 -3.5342 -3.5336 -3.5336 1.5857 1.5857 2.3439 2.3439 2.4324 2.4324 3.6674 3.6674 3.8942 3.8942 3.9098 3.9098 7.8149 7.8149 12.5989 12.5989 12.6178 12.6178 13.6183 13.6183 k = 0.3333 0.5774 0.0470 ( 6618 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5336 -3.5336 -3.5331 -3.5331 1.5933 1.5933 2.3171 2.3171 2.4037 2.4037 3.6469 3.6469 3.9372 3.9372 3.9519 3.9519 7.8575 7.8575 12.3994 12.3994 12.4159 12.4159 13.6633 13.6633 k = 0.3333 0.5774 0.0587 ( 6630 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5329 -3.5329 -3.5323 -3.5323 1.6030 1.6030 2.2851 2.2851 2.3696 2.3696 3.6199 3.6199 3.9898 3.9898 4.0046 4.0046 7.9115 7.9115 12.1990 12.1990 12.2138 12.2138 13.6916 13.6916 k = 0.3333 0.5774 0.0705 ( 6630 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5320 -3.5320 -3.5315 -3.5315 1.6148 1.6148 2.2491 2.2491 2.3316 2.3316 3.5869 3.5869 4.0507 4.0507 4.0662 4.0662 7.9763 7.9763 11.9997 11.9997 12.0133 12.0133 13.7119 13.7119 k = 0.3333 0.5774 0.0822 ( 6639 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5310 -3.5310 -3.5305 -3.5305 1.6286 1.6286 2.2104 2.2104 2.2908 2.2908 3.5487 3.5487 4.1184 4.1184 4.1351 4.1351 8.0514 8.0514 11.8030 11.8030 11.8155 11.8155 13.7285 13.7285 k = 0.3333 0.5774 0.0940 ( 6621 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5299 -3.5299 -3.5294 -3.5294 1.6445 1.6445 2.1700 2.1700 2.2486 2.2486 3.5061 3.5061 4.1918 4.1918 4.2098 4.2098 8.1362 8.1362 11.6097 11.6097 11.6212 11.6212 13.6477 13.6477 k = 0.3333 0.5774 0.1057 ( 6627 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5286 -3.5286 -3.5282 -3.5282 1.6622 1.6622 2.1288 2.1288 2.2057 2.2057 3.4598 3.4598 4.2695 4.2695 4.2891 4.2891 8.2300 8.2300 11.4206 11.4206 11.4313 11.4313 13.4931 13.4931 k = 0.3333 0.5774 0.1175 ( 6630 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5273 -3.5273 -3.5269 -3.5269 1.6817 1.6817 2.0877 2.0877 2.1631 2.1631 3.4107 3.4107 4.3506 4.3506 4.3717 4.3717 8.3322 8.3322 11.2364 11.2364 11.2463 11.2463 13.3288 13.3288 k = 0.3333 0.5774 0.1292 ( 6621 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5260 -3.5260 -3.5256 -3.5256 1.7030 1.7030 2.0472 2.0472 2.1213 2.1213 3.3592 3.3592 4.4339 4.4339 4.4565 4.4565 8.4423 8.4423 11.0577 11.0577 11.0669 11.0669 13.1573 13.1573 k = 0.3333 0.5774 0.1410 ( 6621 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5246 -3.5246 -3.5243 -3.5243 1.7258 1.7258 2.0079 2.0079 2.0809 2.0809 3.3062 3.3062 4.5186 4.5186 4.5427 4.5427 8.5597 8.5597 10.8852 10.8852 10.8936 10.8936 12.9802 12.9802 k = 0.3333 0.5774 0.1527 ( 6627 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5232 -3.5232 -3.5229 -3.5229 1.7499 1.7499 1.9702 1.9702 2.0424 2.0424 3.2523 3.2523 4.6036 4.6036 4.6292 4.6292 8.6838 8.6838 10.7196 10.7196 10.7272 10.7272 12.7988 12.7988 k = 0.3333 0.5774 0.1645 ( 6621 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5218 -3.5218 -3.5215 -3.5215 1.7751 1.7751 1.9345 1.9345 2.0062 2.0062 3.1980 3.1980 4.6880 4.6880 4.7150 4.7150 8.8142 8.8142 10.5617 10.5617 10.5685 10.5685 12.6144 12.6144 k = 0.3333 0.5774 0.1762 ( 6627 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5204 -3.5204 -3.5202 -3.5202 1.8010 1.8010 1.9010 1.9010 1.9728 1.9728 3.1441 3.1441 4.7708 4.7708 4.7991 4.7991 8.9505 8.9505 10.4122 10.4122 10.4182 10.4182 12.4278 12.4278 k = 0.3333 0.5774 0.1880 ( 6627 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5191 -3.5191 -3.5189 -3.5189 1.8268 1.8268 1.8702 1.8702 1.9428 1.9428 3.0911 3.0911 4.8510 4.8510 4.8805 4.8805 9.0922 9.0922 10.2720 10.2720 10.2773 10.2773 12.2398 12.2398 k = 0.3333 0.5774 0.1997 ( 6627 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5179 -3.5179 -3.5177 -3.5177 1.8421 1.8421 1.8503 1.8503 1.9182 1.9182 3.0398 3.0398 4.9274 4.9274 4.9582 4.9582 9.2390 9.2390 10.1422 10.1422 10.1467 10.1467 12.0511 12.0511 k = 0.3333 0.5774 0.2115 ( 6633 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5168 -3.5168 -3.5166 -3.5166 1.8169 1.8169 1.8621 1.8621 1.9083 1.9083 2.9909 2.9909 4.9989 4.9989 5.0308 5.0308 9.3903 9.3903 10.0237 10.0237 10.0275 10.0275 11.8622 11.8622 k = 0.3333 0.5774 0.2232 ( 6639 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5157 -3.5157 -3.5156 -3.5156 1.7948 1.7948 1.8524 1.8524 1.9223 1.9223 2.9452 2.9452 5.0643 5.0643 5.0972 5.0972 9.5460 9.5460 9.9177 9.9177 9.9209 9.9209 11.6738 11.6738 k = 0.3333 0.5774 0.2350 ( 6630 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5148 -3.5148 -3.5147 -3.5147 1.7760 1.7760 1.8366 1.8366 1.9440 1.9440 2.9037 2.9037 5.1224 5.1224 5.1563 5.1563 9.7053 9.7053 9.8254 9.8254 9.8284 9.8284 11.4864 11.4864 k = 0.3333 0.5774 0.2467 ( 6624 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5141 -3.5141 -3.5140 -3.5140 1.7604 1.7604 1.8221 1.8221 1.9655 1.9655 2.8673 2.8673 5.1720 5.1720 5.2066 5.2066 9.7479 9.7479 9.7490 9.7490 9.8696 9.8696 11.3003 11.3003 k = 0.3333 0.5774 0.2585 ( 6624 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5135 -3.5135 -3.5134 -3.5134 1.7482 1.7482 1.8103 1.8103 1.9842 1.9842 2.8373 2.8373 5.2119 5.2119 5.2472 5.2472 9.6863 9.6863 9.6873 9.6873 10.0353 10.0353 11.1164 11.1164 k = 0.3333 0.5774 0.2702 ( 6618 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1412 -36.1412 -3.5130 -3.5130 -3.5130 -3.5130 1.7395 1.7395 1.8018 1.8018 1.9987 1.9987 2.8147 2.8147 5.2413 5.2413 5.2770 5.2770 9.6415 9.6415 9.6422 9.6422 10.2030 10.2030 10.9359 10.9359 k = 0.3333 0.5774 0.2820 ( 6609 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1411 -36.1411 -3.5128 -3.5128 -3.5127 -3.5127 1.7342 1.7342 1.7966 1.7966 2.0079 2.0079 2.8007 2.8007 5.2592 5.2592 5.2953 5.2953 9.6143 9.6143 9.6148 9.6148 10.3677 10.3677 10.7634 10.7634 k = 0.3333 0.5774 0.2937 ( 6606 PWs) bands (ev): -93.7143 -93.7143 -93.7143 -93.7143 -69.4763 -69.4763 -36.4308 -36.4308 -36.1434 -36.1434 -36.1411 -36.1411 -3.5127 -3.5127 -3.5126 -3.5126 1.7325 1.7325 1.7949 1.7949 2.0111 2.0111 2.7959 2.7959 5.2652 5.2652 5.3014 5.3014 9.6052 9.6052 9.6056 9.6056 10.4784 10.4784 10.6502 10.6502 Writing output data file MgxBeAsx2.save init_run : 0.34s CPU 0.48s WALL ( 1 calls) electrons : 116.57s CPU 118.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 116.56s CPU 118.45s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 348 calls) cegterg : 106.29s CPU 107.66s WALL ( 400 calls) Called by sum_band: Called by *egterg: h_psi : 69.50s CPU 70.48s WALL ( 6832 calls) s_psi : 1.28s CPU 1.40s WALL ( 6832 calls) g_psi : 0.30s CPU 0.25s WALL ( 6084 calls) cdiaghg : 29.58s CPU 29.89s WALL ( 6432 calls) cegterg:over : 4.54s CPU 4.73s WALL ( 6084 calls) cegterg:upda : 5.11s CPU 5.23s WALL ( 6084 calls) cegterg:last : 2.56s CPU 2.55s WALL ( 1250 calls) cdiaghg:chol : 1.80s CPU 1.76s WALL ( 6432 calls) cdiaghg:inve : 0.86s CPU 0.91s WALL ( 6432 calls) cdiaghg:para : 1.65s CPU 1.72s WALL ( 12864 calls) Called by h_psi: h_psi:vloc : 64.97s CPU 65.94s WALL ( 6832 calls) h_psi:vnl : 4.26s CPU 4.28s WALL ( 6832 calls) add_vuspsi : 1.62s CPU 1.62s WALL ( 6832 calls) General routines calbec : 2.61s CPU 2.64s WALL ( 6832 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 56.94s CPU 57.77s WALL ( 558836 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.24s WALL ( 696 calls) Parallel routines fft_scatter : 18.85s CPU 19.35s WALL ( 558859 calls) PWSCF : 2m12.36s CPU 2m38.24s WALL This run was terminated on: 19:38:12 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=