----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:51:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.250825912087346 -6.568761889999999 0.000000000000000 b 3.250825912087346 6.568761889999999 0.000000000000000 c -2.703846998329228 0.000000000000000 7.040392139909105 Atomic positions (fractional): *1 Cs 0.15365099522824 0.84634900477176 0.25000000000000 132.905 2 Cs 0.84634900477176 0.15365099522824 0.75000000000000 132.905 *3 Au 0.56746420935804 0.43253579064196 0.75000000000000 196.967 4 Au 0.43253579064196 0.56746420935804 0.25000000000000 196.967 *5 Se 0.63210884212559 0.80111730854755 0.04866787828007 78.960 6 Se 0.80111730854755 0.63210884212559 0.54866787828007 78.960 7 Se 0.36789115787441 0.19888269145245 0.95133212171993 78.960 8 Se 0.19888269145245 0.36789115787441 0.45133212171993 78.960 *9 Se 0.80242787160223 0.19757212839777 0.25000000000000 78.960 10 Se 0.19757212839777 0.80242787160223 0.75000000000000 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.501651824174691 0.000000000000000 0.000000000000000 b 0.000000000000000 13.137523779999999 0.000000000000000 c -2.703846998329228 0.000000000000000 7.040392139909105 Atomic positions (fractional): *1 Cs 0.50000000000000 0.34634900477176 0.25000000000000 132.905 > 1 2 Cs 0.00000000000000 0.15365099522824 0.75000000000000 132.905 > 2 3 Cs 0.00000000000000 0.84634900477176 0.25000000000000 132.905 > 1 4 Cs 0.50000000000000 0.65365099522824 0.75000000000000 132.905 > 2 *5 Au 0.00000000000000 0.43253579064196 0.75000000000000 196.967 > 3 6 Au 0.50000000000000 0.06746420935804 0.25000000000000 196.967 > 4 7 Au 0.50000000000000 0.93253579064196 0.75000000000000 196.967 > 3 8 Au 0.00000000000000 0.56746420935804 0.25000000000000 196.967 > 4 *9 Se 0.71661307533657 0.08450423321098 0.04866787828007 78.960 > 5 10 Se 0.21661307533657 0.41549576678902 0.54866787828007 78.960 > 6 11 Se 0.78338692466343 0.41549576678902 0.95133212171993 78.960 > 7 12 Se 0.28338692466343 0.08450423321098 0.45133212171993 78.960 > 8 *13 Se 0.00000000000000 0.19757212839777 0.25000000000000 78.960 > 9 14 Se 0.50000000000000 0.30242787160223 0.75000000000000 78.960 > 10 15 Se 0.21661307533657 0.58450423321098 0.04866787828007 78.960 > 5 16 Se 0.71661307533657 0.91549576678902 0.54866787828007 78.960 > 6 17 Se 0.28338692466343 0.91549576678902 0.95133212171993 78.960 > 7 18 Se 0.78338692466343 0.58450423321098 0.45133212171993 78.960 > 8 19 Se 0.50000000000000 0.69757212839777 0.25000000000000 78.960 > 9 20 Se 0.00000000000000 0.80242787160223 0.75000000000000 78.960 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 19.504955472524074 0.000000000000000 0.000000000000000 b 0.000000000000000 13.137523779999999 0.000000000000000 c -5.407693996658456 0.000000000000000 14.080784279818211 Atomic positions (fractional): *1 Cs 0.16666666666667 0.34634900477176 0.12500000000000 132.905 > 1 2 Cs 0.50000000000000 0.34634900477176 0.12500000000000 132.905 > 1 3 Cs 0.83333333333333 0.34634900477176 0.12500000000000 132.905 > 1 4 Cs 0.16666666666667 0.34634900477176 0.62500000000000 132.905 > 1 5 Cs 0.50000000000000 0.34634900477176 0.62500000000000 132.905 > 1 6 Cs 0.83333333333333 0.34634900477176 0.62500000000000 132.905 > 1 7 Cs 0.00000000000000 0.15365099522824 0.37500000000000 132.905 > 2 8 Cs 0.33333333333333 0.15365099522824 0.37500000000000 132.905 > 2 9 Cs 0.66666666666667 0.15365099522824 0.37500000000000 132.905 > 2 10 Cs 0.00000000000000 0.15365099522824 0.87500000000000 132.905 > 2 11 Cs 0.33333333333333 0.15365099522824 0.87500000000000 132.905 > 2 12 Cs 0.66666666666667 0.15365099522824 0.87500000000000 132.905 > 2 13 Cs 0.00000000000000 0.84634900477176 0.12500000000000 132.905 > 1 14 Cs 0.33333333333333 0.84634900477176 0.12500000000000 132.905 > 1 15 Cs 0.66666666666667 0.84634900477176 0.12500000000000 132.905 > 1 16 Cs 0.00000000000000 0.84634900477176 0.62500000000000 132.905 > 1 17 Cs 0.33333333333333 0.84634900477176 0.62500000000000 132.905 > 1 18 Cs 0.66666666666667 0.84634900477176 0.62500000000000 132.905 > 1 19 Cs 0.16666666666667 0.65365099522824 0.37500000000000 132.905 > 2 20 Cs 0.50000000000000 0.65365099522824 0.37500000000000 132.905 > 2 21 Cs 0.83333333333333 0.65365099522824 0.37500000000000 132.905 > 2 22 Cs 0.16666666666667 0.65365099522824 0.87500000000000 132.905 > 2 23 Cs 0.50000000000000 0.65365099522824 0.87500000000000 132.905 > 2 24 Cs 0.83333333333333 0.65365099522824 0.87500000000000 132.905 > 2 *25 Au 0.00000000000000 0.43253579064196 0.37500000000000 196.967 > 3 26 Au 0.33333333333333 0.43253579064196 0.37500000000000 196.967 > 3 27 Au 0.66666666666667 0.43253579064196 0.37500000000000 196.967 > 3 28 Au 0.00000000000000 0.43253579064196 0.87500000000000 196.967 > 3 29 Au 0.33333333333333 0.43253579064196 0.87500000000000 196.967 > 3 30 Au 0.66666666666667 0.43253579064196 0.87500000000000 196.967 > 3 31 Au 0.16666666666667 0.06746420935804 0.12500000000000 196.967 > 4 32 Au 0.50000000000000 0.06746420935804 0.12500000000000 196.967 > 4 33 Au 0.83333333333333 0.06746420935804 0.12500000000000 196.967 > 4 34 Au 0.16666666666667 0.06746420935804 0.62500000000000 196.967 > 4 35 Au 0.50000000000000 0.06746420935804 0.62500000000000 196.967 > 4 36 Au 0.83333333333333 0.06746420935804 0.62500000000000 196.967 > 4 37 Au 0.16666666666667 0.93253579064196 0.37500000000000 196.967 > 3 38 Au 0.50000000000000 0.93253579064196 0.37500000000000 196.967 > 3 39 Au 0.83333333333333 0.93253579064196 0.37500000000000 196.967 > 3 40 Au 0.16666666666667 0.93253579064196 0.87500000000000 196.967 > 3 41 Au 0.50000000000000 0.93253579064196 0.87500000000000 196.967 > 3 42 Au 0.83333333333333 0.93253579064196 0.87500000000000 196.967 > 3 43 Au 0.00000000000000 0.56746420935804 0.12500000000000 196.967 > 4 44 Au 0.33333333333333 0.56746420935804 0.12500000000000 196.967 > 4 45 Au 0.66666666666667 0.56746420935804 0.12500000000000 196.967 > 4 46 Au 0.00000000000000 0.56746420935804 0.62500000000000 196.967 > 4 47 Au 0.33333333333333 0.56746420935804 0.62500000000000 196.967 > 4 48 Au 0.66666666666667 0.56746420935804 0.62500000000000 196.967 > 4 *49 Se 0.23887102511219 0.08450423321098 0.02433393914004 78.960 > 5 50 Se 0.57220435844552 0.08450423321098 0.02433393914004 78.960 > 5 51 Se 0.90553769177886 0.08450423321098 0.02433393914004 78.960 > 5 52 Se 0.23887102511219 0.08450423321098 0.52433393914004 78.960 > 5 53 Se 0.57220435844552 0.08450423321098 0.52433393914004 78.960 > 5 54 Se 0.90553769177886 0.08450423321098 0.52433393914004 78.960 > 5 55 Se 0.07220435844552 0.41549576678902 0.27433393914004 78.960 > 6 56 Se 0.40553769177886 0.41549576678902 0.27433393914004 78.960 > 6 57 Se 0.73887102511219 0.41549576678902 0.27433393914004 78.960 > 6 58 Se 0.07220435844552 0.41549576678902 0.77433393914004 78.960 > 6 59 Se 0.40553769177886 0.41549576678902 0.77433393914004 78.960 > 6 60 Se 0.73887102511219 0.41549576678902 0.77433393914004 78.960 > 6 61 Se 0.26112897488781 0.41549576678902 0.47566606085996 78.960 > 7 62 Se 0.59446230822114 0.41549576678902 0.47566606085996 78.960 > 7 63 Se 0.92779564155448 0.41549576678902 0.47566606085996 78.960 > 7 64 Se 0.26112897488781 0.41549576678902 0.97566606085996 78.960 > 7 65 Se 0.59446230822114 0.41549576678902 0.97566606085996 78.960 > 7 66 Se 0.92779564155448 0.41549576678902 0.97566606085996 78.960 > 7 67 Se 0.09446230822114 0.08450423321098 0.22566606085996 78.960 > 8 68 Se 0.42779564155448 0.08450423321098 0.22566606085996 78.960 > 8 69 Se 0.76112897488781 0.08450423321098 0.22566606085996 78.960 > 8 70 Se 0.09446230822114 0.08450423321098 0.72566606085996 78.960 > 8 71 Se 0.42779564155448 0.08450423321098 0.72566606085996 78.960 > 8 72 Se 0.76112897488781 0.08450423321098 0.72566606085996 78.960 > 8 *73 Se 0.00000000000000 0.19757212839777 0.12500000000000 78.960 > 9 74 Se 0.33333333333333 0.19757212839777 0.12500000000000 78.960 > 9 75 Se 0.66666666666667 0.19757212839777 0.12500000000000 78.960 > 9 76 Se 0.00000000000000 0.19757212839777 0.62500000000000 78.960 > 9 77 Se 0.33333333333333 0.19757212839777 0.62500000000000 78.960 > 9 78 Se 0.66666666666667 0.19757212839777 0.62500000000000 78.960 > 9 79 Se 0.16666666666667 0.30242787160223 0.37500000000000 78.960 > 10 80 Se 0.50000000000000 0.30242787160223 0.37500000000000 78.960 > 10 81 Se 0.83333333333333 0.30242787160223 0.37500000000000 78.960 > 10 82 Se 0.16666666666667 0.30242787160223 0.87500000000000 78.960 > 10 83 Se 0.50000000000000 0.30242787160223 0.87500000000000 78.960 > 10 84 Se 0.83333333333333 0.30242787160223 0.87500000000000 78.960 > 10 85 Se 0.07220435844552 0.58450423321098 0.02433393914004 78.960 > 5 86 Se 0.40553769177886 0.58450423321098 0.02433393914004 78.960 > 5 87 Se 0.73887102511219 0.58450423321098 0.02433393914004 78.960 > 5 88 Se 0.07220435844552 0.58450423321098 0.52433393914004 78.960 > 5 89 Se 0.40553769177886 0.58450423321098 0.52433393914004 78.960 > 5 90 Se 0.73887102511219 0.58450423321098 0.52433393914004 78.960 > 5 91 Se 0.23887102511219 0.91549576678902 0.27433393914004 78.960 > 6 92 Se 0.57220435844552 0.91549576678902 0.27433393914004 78.960 > 6 93 Se 0.90553769177886 0.91549576678902 0.27433393914004 78.960 > 6 94 Se 0.23887102511219 0.91549576678902 0.77433393914004 78.960 > 6 95 Se 0.57220435844552 0.91549576678902 0.77433393914004 78.960 > 6 96 Se 0.90553769177886 0.91549576678902 0.77433393914004 78.960 > 6 97 Se 0.09446230822114 0.91549576678902 0.47566606085996 78.960 > 7 98 Se 0.42779564155448 0.91549576678902 0.47566606085996 78.960 > 7 99 Se 0.76112897488781 0.91549576678902 0.47566606085996 78.960 > 7 100 Se 0.09446230822114 0.91549576678902 0.97566606085996 78.960 > 7 101 Se 0.42779564155448 0.91549576678902 0.97566606085996 78.960 > 7 102 Se 0.76112897488781 0.91549576678902 0.97566606085996 78.960 > 7 103 Se 0.26112897488781 0.58450423321098 0.22566606085996 78.960 > 8 104 Se 0.59446230822114 0.58450423321098 0.22566606085996 78.960 > 8 105 Se 0.92779564155448 0.58450423321098 0.22566606085996 78.960 > 8 106 Se 0.26112897488781 0.58450423321098 0.72566606085996 78.960 > 8 107 Se 0.59446230822114 0.58450423321098 0.72566606085996 78.960 > 8 108 Se 0.92779564155448 0.58450423321098 0.72566606085996 78.960 > 8 109 Se 0.16666666666667 0.69757212839777 0.12500000000000 78.960 > 9 110 Se 0.50000000000000 0.69757212839777 0.12500000000000 78.960 > 9 111 Se 0.83333333333333 0.69757212839777 0.12500000000000 78.960 > 9 112 Se 0.16666666666667 0.69757212839777 0.62500000000000 78.960 > 9 113 Se 0.50000000000000 0.69757212839777 0.62500000000000 78.960 > 9 114 Se 0.83333333333333 0.69757212839777 0.62500000000000 78.960 > 9 115 Se 0.00000000000000 0.80242787160223 0.37500000000000 78.960 > 10 116 Se 0.33333333333333 0.80242787160223 0.37500000000000 78.960 > 10 117 Se 0.66666666666667 0.80242787160223 0.37500000000000 78.960 > 10 118 Se 0.00000000000000 0.80242787160223 0.87500000000000 78.960 > 10 119 Se 0.33333333333333 0.80242787160223 0.87500000000000 78.960 > 10 120 Se 0.66666666666667 0.80242787160223 0.87500000000000 78.960 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.1829793 0.0000000 2.0421862 0.0000000 7.9470709 0.0000000 2.0420627 0.0000000 9.4682578 -------------------------- Born effective charges -------------------------- 1 Cs 1.5944953 0.0000000 -0.1490409 0.0000000 1.5641307 0.0000000 -0.0989944 0.0000000 1.4422501 2 Cs 1.5944953 0.0000000 -0.1490409 0.0000000 1.5641307 0.0000000 -0.0989944 0.0000000 1.4422501 3 Au 0.8300570 0.0000000 -1.1309408 0.0000000 -0.7197312 0.0000000 -0.2776011 0.0000000 -0.3753706 4 Au 0.8300570 0.0000000 -1.1309408 0.0000000 -0.7197312 0.0000000 -0.2776011 0.0000000 -0.3753706 5 Se -0.9667042 0.0354581 0.1266240 -0.0376488 -0.3947059 0.6906873 0.0447883 0.5848381 -0.8457907 6 Se -0.9667042 -0.0354581 0.1266240 0.0376488 -0.3947059 -0.6906873 0.0447883 -0.5848381 -0.8457907 7 Se -0.9667042 0.0354581 0.1266240 -0.0376488 -0.3947059 0.6906873 0.0447883 0.5848381 -0.8457907 8 Se -0.9667042 -0.0354581 0.1266240 0.0376488 -0.3947059 -0.6906873 0.0447883 -0.5848381 -0.8457907 9 Se -0.4911439 0.0000000 1.0267337 0.0000000 -0.0549876 0.0000000 0.2870190 0.0000000 0.6247018 10 Se -0.4911439 0.0000000 1.0267337 0.0000000 -0.0549876 0.0000000 0.2870190 0.0000000 0.6247018 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 6798/6798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1464 Number of blocks in projector: 1464 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 318 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 282 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 282 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 194 Use standard eigh solver. Tree of FC basis block matrices: - (1464, 1441), data: False |-- (194, 190), data: True |-- (194, 190), data: True |-- (194, 190), data: True |-- (282, 280), data: True |-- (282, 280), data: True |-- (318, 311), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.180 Solver_block: 200 / 320 - Time: 2.216 Solver_block: 300 / 320 - Time: 2.192 Solver_block: 320 / 320 - Time: 0.533 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.161 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 6798/6798 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1464 Number of blocks in projector: 1464 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 318 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 282 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 282 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 194 Use standard eigh solver. Tree of FC basis block matrices: - (1464, 1441), data: False |-- (194, 190), data: True |-- (194, 190), data: True |-- (194, 190), data: True |-- (282, 280), data: True |-- (282, 280), data: True |-- (318, 311), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:51:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:51:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.250825912087346 -6.568761889999999 0.000000000000000 b 3.250825912087346 6.568761889999999 0.000000000000000 c -2.703846998329228 0.000000000000000 7.040392139909105 Atomic positions (fractional): 1 Cs 0.15365099522824 0.84634900477176 0.25000000000000 132.905 2 Cs 0.84634900477176 0.15365099522824 0.75000000000000 132.905 3 Au 0.56746420935804 0.43253579064196 0.75000000000000 196.967 4 Au 0.43253579064196 0.56746420935804 0.25000000000000 196.967 5 Se 0.63210884212559 0.80111730854755 0.04866787828007 78.960 6 Se 0.80111730854755 0.63210884212559 0.54866787828007 78.960 7 Se 0.36789115787441 0.19888269145245 0.95133212171993 78.960 8 Se 0.19888269145245 0.36789115787441 0.45133212171993 78.960 9 Se 0.80242787160223 0.19757212839777 0.25000000000000 78.960 10 Se 0.19757212839777 0.80242787160223 0.75000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.504955472524074 0.000000000000000 0.000000000000000 b 0.000000000000000 13.137523779999999 0.000000000000000 c -5.407693996658456 0.000000000000000 14.080784279818211 Atomic positions (fractional): 1 Cs 0.16666666666667 0.34634900477176 0.12500000000000 132.905 > 1 2 Cs 0.50000000000000 0.34634900477176 0.12500000000000 132.905 > 1 3 Cs 0.83333333333333 0.34634900477176 0.12500000000000 132.905 > 1 4 Cs 0.16666666666667 0.34634900477176 0.62500000000000 132.905 > 1 5 Cs 0.50000000000000 0.34634900477176 0.62500000000000 132.905 > 1 6 Cs 0.83333333333333 0.34634900477176 0.62500000000000 132.905 > 1 7 Cs 0.00000000000000 0.15365099522824 0.37500000000000 132.905 > 7 8 Cs 0.33333333333333 0.15365099522824 0.37500000000000 132.905 > 7 9 Cs 0.66666666666667 0.15365099522824 0.37500000000000 132.905 > 7 10 Cs 0.00000000000000 0.15365099522824 0.87500000000000 132.905 > 7 11 Cs 0.33333333333333 0.15365099522824 0.87500000000000 132.905 > 7 12 Cs 0.66666666666667 0.15365099522824 0.87500000000000 132.905 > 7 13 Cs 0.00000000000000 0.84634900477176 0.12500000000000 132.905 > 1 14 Cs 0.33333333333333 0.84634900477176 0.12500000000000 132.905 > 1 15 Cs 0.66666666666667 0.84634900477176 0.12500000000000 132.905 > 1 16 Cs 0.00000000000000 0.84634900477176 0.62500000000000 132.905 > 1 17 Cs 0.33333333333333 0.84634900477176 0.62500000000000 132.905 > 1 18 Cs 0.66666666666667 0.84634900477176 0.62500000000000 132.905 > 1 19 Cs 0.16666666666667 0.65365099522824 0.37500000000000 132.905 > 7 20 Cs 0.50000000000000 0.65365099522824 0.37500000000000 132.905 > 7 21 Cs 0.83333333333333 0.65365099522824 0.37500000000000 132.905 > 7 22 Cs 0.16666666666667 0.65365099522824 0.87500000000000 132.905 > 7 23 Cs 0.50000000000000 0.65365099522824 0.87500000000000 132.905 > 7 24 Cs 0.83333333333333 0.65365099522824 0.87500000000000 132.905 > 7 25 Au 0.00000000000000 0.43253579064196 0.37500000000000 196.967 > 25 26 Au 0.33333333333333 0.43253579064196 0.37500000000000 196.967 > 25 27 Au 0.66666666666667 0.43253579064196 0.37500000000000 196.967 > 25 28 Au 0.00000000000000 0.43253579064196 0.87500000000000 196.967 > 25 29 Au 0.33333333333333 0.43253579064196 0.87500000000000 196.967 > 25 30 Au 0.66666666666667 0.43253579064196 0.87500000000000 196.967 > 25 31 Au 0.16666666666667 0.06746420935804 0.12500000000000 196.967 > 31 32 Au 0.50000000000000 0.06746420935804 0.12500000000000 196.967 > 31 33 Au 0.83333333333333 0.06746420935804 0.12500000000000 196.967 > 31 34 Au 0.16666666666667 0.06746420935804 0.62500000000000 196.967 > 31 35 Au 0.50000000000000 0.06746420935804 0.62500000000000 196.967 > 31 36 Au 0.83333333333333 0.06746420935804 0.62500000000000 196.967 > 31 37 Au 0.16666666666667 0.93253579064196 0.37500000000000 196.967 > 25 38 Au 0.50000000000000 0.93253579064196 0.37500000000000 196.967 > 25 39 Au 0.83333333333333 0.93253579064196 0.37500000000000 196.967 > 25 40 Au 0.16666666666667 0.93253579064196 0.87500000000000 196.967 > 25 41 Au 0.50000000000000 0.93253579064196 0.87500000000000 196.967 > 25 42 Au 0.83333333333333 0.93253579064196 0.87500000000000 196.967 > 25 43 Au 0.00000000000000 0.56746420935804 0.12500000000000 196.967 > 31 44 Au 0.33333333333333 0.56746420935804 0.12500000000000 196.967 > 31 45 Au 0.66666666666667 0.56746420935804 0.12500000000000 196.967 > 31 46 Au 0.00000000000000 0.56746420935804 0.62500000000000 196.967 > 31 47 Au 0.33333333333333 0.56746420935804 0.62500000000000 196.967 > 31 48 Au 0.66666666666667 0.56746420935804 0.62500000000000 196.967 > 31 49 Se 0.23887102511219 0.08450423321098 0.02433393914004 78.960 > 49 50 Se 0.57220435844552 0.08450423321098 0.02433393914004 78.960 > 49 51 Se 0.90553769177886 0.08450423321098 0.02433393914004 78.960 > 49 52 Se 0.23887102511219 0.08450423321098 0.52433393914004 78.960 > 49 53 Se 0.57220435844552 0.08450423321098 0.52433393914004 78.960 > 49 54 Se 0.90553769177886 0.08450423321098 0.52433393914004 78.960 > 49 55 Se 0.07220435844552 0.41549576678902 0.27433393914004 78.960 > 55 56 Se 0.40553769177886 0.41549576678902 0.27433393914004 78.960 > 55 57 Se 0.73887102511219 0.41549576678902 0.27433393914004 78.960 > 55 58 Se 0.07220435844552 0.41549576678902 0.77433393914004 78.960 > 55 59 Se 0.40553769177886 0.41549576678902 0.77433393914004 78.960 > 55 60 Se 0.73887102511219 0.41549576678902 0.77433393914004 78.960 > 55 61 Se 0.26112897488781 0.41549576678902 0.47566606085996 78.960 > 61 62 Se 0.59446230822114 0.41549576678902 0.47566606085996 78.960 > 61 63 Se 0.92779564155448 0.41549576678902 0.47566606085996 78.960 > 61 64 Se 0.26112897488781 0.41549576678902 0.97566606085996 78.960 > 61 65 Se 0.59446230822114 0.41549576678902 0.97566606085996 78.960 > 61 66 Se 0.92779564155448 0.41549576678902 0.97566606085996 78.960 > 61 67 Se 0.09446230822114 0.08450423321098 0.22566606085996 78.960 > 67 68 Se 0.42779564155448 0.08450423321098 0.22566606085996 78.960 > 67 69 Se 0.76112897488781 0.08450423321098 0.22566606085996 78.960 > 67 70 Se 0.09446230822114 0.08450423321098 0.72566606085996 78.960 > 67 71 Se 0.42779564155448 0.08450423321098 0.72566606085996 78.960 > 67 72 Se 0.76112897488781 0.08450423321098 0.72566606085996 78.960 > 67 73 Se 0.00000000000000 0.19757212839777 0.12500000000000 78.960 > 73 74 Se 0.33333333333333 0.19757212839777 0.12500000000000 78.960 > 73 75 Se 0.66666666666667 0.19757212839777 0.12500000000000 78.960 > 73 76 Se 0.00000000000000 0.19757212839777 0.62500000000000 78.960 > 73 77 Se 0.33333333333333 0.19757212839777 0.62500000000000 78.960 > 73 78 Se 0.66666666666667 0.19757212839777 0.62500000000000 78.960 > 73 79 Se 0.16666666666667 0.30242787160223 0.37500000000000 78.960 > 79 80 Se 0.50000000000000 0.30242787160223 0.37500000000000 78.960 > 79 81 Se 0.83333333333333 0.30242787160223 0.37500000000000 78.960 > 79 82 Se 0.16666666666667 0.30242787160223 0.87500000000000 78.960 > 79 83 Se 0.50000000000000 0.30242787160223 0.87500000000000 78.960 > 79 84 Se 0.83333333333333 0.30242787160223 0.87500000000000 78.960 > 79 85 Se 0.07220435844552 0.58450423321098 0.02433393914004 78.960 > 49 86 Se 0.40553769177886 0.58450423321098 0.02433393914004 78.960 > 49 87 Se 0.73887102511219 0.58450423321098 0.02433393914004 78.960 > 49 88 Se 0.07220435844552 0.58450423321098 0.52433393914004 78.960 > 49 89 Se 0.40553769177886 0.58450423321098 0.52433393914004 78.960 > 49 90 Se 0.73887102511219 0.58450423321098 0.52433393914004 78.960 > 49 91 Se 0.23887102511219 0.91549576678902 0.27433393914004 78.960 > 55 92 Se 0.57220435844552 0.91549576678902 0.27433393914004 78.960 > 55 93 Se 0.90553769177886 0.91549576678902 0.27433393914004 78.960 > 55 94 Se 0.23887102511219 0.91549576678902 0.77433393914004 78.960 > 55 95 Se 0.57220435844552 0.91549576678902 0.77433393914004 78.960 > 55 96 Se 0.90553769177886 0.91549576678902 0.77433393914004 78.960 > 55 97 Se 0.09446230822114 0.91549576678902 0.47566606085996 78.960 > 61 98 Se 0.42779564155448 0.91549576678902 0.47566606085996 78.960 > 61 99 Se 0.76112897488781 0.91549576678902 0.47566606085996 78.960 > 61 100 Se 0.09446230822114 0.91549576678902 0.97566606085996 78.960 > 61 101 Se 0.42779564155448 0.91549576678902 0.97566606085996 78.960 > 61 102 Se 0.76112897488781 0.91549576678902 0.97566606085996 78.960 > 61 103 Se 0.26112897488781 0.58450423321098 0.22566606085996 78.960 > 67 104 Se 0.59446230822114 0.58450423321098 0.22566606085996 78.960 > 67 105 Se 0.92779564155448 0.58450423321098 0.22566606085996 78.960 > 67 106 Se 0.26112897488781 0.58450423321098 0.72566606085996 78.960 > 67 107 Se 0.59446230822114 0.58450423321098 0.72566606085996 78.960 > 67 108 Se 0.92779564155448 0.58450423321098 0.72566606085996 78.960 > 67 109 Se 0.16666666666667 0.69757212839777 0.12500000000000 78.960 > 73 110 Se 0.50000000000000 0.69757212839777 0.12500000000000 78.960 > 73 111 Se 0.83333333333333 0.69757212839777 0.12500000000000 78.960 > 73 112 Se 0.16666666666667 0.69757212839777 0.62500000000000 78.960 > 73 113 Se 0.50000000000000 0.69757212839777 0.62500000000000 78.960 > 73 114 Se 0.83333333333333 0.69757212839777 0.62500000000000 78.960 > 73 115 Se 0.00000000000000 0.80242787160223 0.37500000000000 78.960 > 79 116 Se 0.33333333333333 0.80242787160223 0.37500000000000 78.960 > 79 117 Se 0.66666666666667 0.80242787160223 0.37500000000000 78.960 > 79 118 Se 0.00000000000000 0.80242787160223 0.87500000000000 78.960 > 79 119 Se 0.33333333333333 0.80242787160223 0.87500000000000 78.960 > 79 120 Se 0.66666666666667 0.80242787160223 0.87500000000000 78.960 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.1829793 0.0000000 2.0421862 0.0000000 7.9470709 0.0000000 2.0420627 0.0000000 9.4682578 -------------------------- Born effective charges -------------------------- 1 Cs 1.5944953 0.0000000 -0.1490409 0.0000000 1.5641307 0.0000000 -0.0989944 0.0000000 1.4422501 2 Cs 1.5944953 0.0000000 -0.1490409 0.0000000 1.5641307 0.0000000 -0.0989944 0.0000000 1.4422501 3 Au 0.8300570 0.0000000 -1.1309408 0.0000000 -0.7197312 0.0000000 -0.2776011 0.0000000 -0.3753706 4 Au 0.8300570 0.0000000 -1.1309408 0.0000000 -0.7197312 0.0000000 -0.2776011 0.0000000 -0.3753706 5 Se -0.9667042 0.0354581 0.1266240 -0.0376488 -0.3947059 0.6906873 0.0447883 0.5848381 -0.8457907 6 Se -0.9667042 -0.0354581 0.1266240 0.0376488 -0.3947059 -0.6906873 0.0447883 -0.5848381 -0.8457907 7 Se -0.9667042 0.0354581 0.1266240 -0.0376488 -0.3947059 0.6906873 0.0447883 0.5848381 -0.8457907 8 Se -0.9667042 -0.0354581 0.1266240 0.0376488 -0.3947059 -0.6906873 0.0447883 -0.5848381 -0.8457907 9 Se -0.4911439 0.0000000 1.0267337 0.0000000 -0.0549876 0.0000000 0.2870190 0.0000000 0.6247018 10 Se -0.4911439 0.0000000 1.0267337 0.0000000 -0.0549876 0.0000000 0.2870190 0.0000000 0.6247018 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:51:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:51:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.250825912087346 -6.568761889999999 0.000000000000000 b 3.250825912087346 6.568761889999999 0.000000000000000 c -2.703846998329228 0.000000000000000 7.040392139909105 Atomic positions (fractional): 1 Cs 0.15365099522824 0.84634900477176 0.25000000000000 132.905 2 Cs 0.84634900477176 0.15365099522824 0.75000000000000 132.905 3 Au 0.56746420935804 0.43253579064196 0.75000000000000 196.967 4 Au 0.43253579064196 0.56746420935804 0.25000000000000 196.967 5 Se 0.63210884212559 0.80111730854755 0.04866787828007 78.960 6 Se 0.80111730854755 0.63210884212559 0.54866787828007 78.960 7 Se 0.36789115787441 0.19888269145245 0.95133212171993 78.960 8 Se 0.19888269145245 0.36789115787441 0.45133212171993 78.960 9 Se 0.80242787160223 0.19757212839777 0.25000000000000 78.960 10 Se 0.19757212839777 0.80242787160223 0.75000000000000 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.504955472524074 0.000000000000000 0.000000000000000 b 0.000000000000000 13.137523779999999 0.000000000000000 c -5.407693996658456 0.000000000000000 14.080784279818211 Atomic positions (fractional): 1 Cs 0.16666666666667 0.34634900477176 0.12500000000000 132.905 > 1 2 Cs 0.50000000000000 0.34634900477176 0.12500000000000 132.905 > 1 3 Cs 0.83333333333333 0.34634900477176 0.12500000000000 132.905 > 1 4 Cs 0.16666666666667 0.34634900477176 0.62500000000000 132.905 > 1 5 Cs 0.50000000000000 0.34634900477176 0.62500000000000 132.905 > 1 6 Cs 0.83333333333333 0.34634900477176 0.62500000000000 132.905 > 1 7 Cs 0.00000000000000 0.15365099522824 0.37500000000000 132.905 > 7 8 Cs 0.33333333333333 0.15365099522824 0.37500000000000 132.905 > 7 9 Cs 0.66666666666667 0.15365099522824 0.37500000000000 132.905 > 7 10 Cs 0.00000000000000 0.15365099522824 0.87500000000000 132.905 > 7 11 Cs 0.33333333333333 0.15365099522824 0.87500000000000 132.905 > 7 12 Cs 0.66666666666667 0.15365099522824 0.87500000000000 132.905 > 7 13 Cs 0.00000000000000 0.84634900477176 0.12500000000000 132.905 > 1 14 Cs 0.33333333333333 0.84634900477176 0.12500000000000 132.905 > 1 15 Cs 0.66666666666667 0.84634900477176 0.12500000000000 132.905 > 1 16 Cs 0.00000000000000 0.84634900477176 0.62500000000000 132.905 > 1 17 Cs 0.33333333333333 0.84634900477176 0.62500000000000 132.905 > 1 18 Cs 0.66666666666667 0.84634900477176 0.62500000000000 132.905 > 1 19 Cs 0.16666666666667 0.65365099522824 0.37500000000000 132.905 > 7 20 Cs 0.50000000000000 0.65365099522824 0.37500000000000 132.905 > 7 21 Cs 0.83333333333333 0.65365099522824 0.37500000000000 132.905 > 7 22 Cs 0.16666666666667 0.65365099522824 0.87500000000000 132.905 > 7 23 Cs 0.50000000000000 0.65365099522824 0.87500000000000 132.905 > 7 24 Cs 0.83333333333333 0.65365099522824 0.87500000000000 132.905 > 7 25 Au 0.00000000000000 0.43253579064196 0.37500000000000 196.967 > 25 26 Au 0.33333333333333 0.43253579064196 0.37500000000000 196.967 > 25 27 Au 0.66666666666667 0.43253579064196 0.37500000000000 196.967 > 25 28 Au 0.00000000000000 0.43253579064196 0.87500000000000 196.967 > 25 29 Au 0.33333333333333 0.43253579064196 0.87500000000000 196.967 > 25 30 Au 0.66666666666667 0.43253579064196 0.87500000000000 196.967 > 25 31 Au 0.16666666666667 0.06746420935804 0.12500000000000 196.967 > 31 32 Au 0.50000000000000 0.06746420935804 0.12500000000000 196.967 > 31 33 Au 0.83333333333333 0.06746420935804 0.12500000000000 196.967 > 31 34 Au 0.16666666666667 0.06746420935804 0.62500000000000 196.967 > 31 35 Au 0.50000000000000 0.06746420935804 0.62500000000000 196.967 > 31 36 Au 0.83333333333333 0.06746420935804 0.62500000000000 196.967 > 31 37 Au 0.16666666666667 0.93253579064196 0.37500000000000 196.967 > 25 38 Au 0.50000000000000 0.93253579064196 0.37500000000000 196.967 > 25 39 Au 0.83333333333333 0.93253579064196 0.37500000000000 196.967 > 25 40 Au 0.16666666666667 0.93253579064196 0.87500000000000 196.967 > 25 41 Au 0.50000000000000 0.93253579064196 0.87500000000000 196.967 > 25 42 Au 0.83333333333333 0.93253579064196 0.87500000000000 196.967 > 25 43 Au 0.00000000000000 0.56746420935804 0.12500000000000 196.967 > 31 44 Au 0.33333333333333 0.56746420935804 0.12500000000000 196.967 > 31 45 Au 0.66666666666667 0.56746420935804 0.12500000000000 196.967 > 31 46 Au 0.00000000000000 0.56746420935804 0.62500000000000 196.967 > 31 47 Au 0.33333333333333 0.56746420935804 0.62500000000000 196.967 > 31 48 Au 0.66666666666667 0.56746420935804 0.62500000000000 196.967 > 31 49 Se 0.23887102511219 0.08450423321098 0.02433393914004 78.960 > 49 50 Se 0.57220435844552 0.08450423321098 0.02433393914004 78.960 > 49 51 Se 0.90553769177886 0.08450423321098 0.02433393914004 78.960 > 49 52 Se 0.23887102511219 0.08450423321098 0.52433393914004 78.960 > 49 53 Se 0.57220435844552 0.08450423321098 0.52433393914004 78.960 > 49 54 Se 0.90553769177886 0.08450423321098 0.52433393914004 78.960 > 49 55 Se 0.07220435844552 0.41549576678902 0.27433393914004 78.960 > 55 56 Se 0.40553769177886 0.41549576678902 0.27433393914004 78.960 > 55 57 Se 0.73887102511219 0.41549576678902 0.27433393914004 78.960 > 55 58 Se 0.07220435844552 0.41549576678902 0.77433393914004 78.960 > 55 59 Se 0.40553769177886 0.41549576678902 0.77433393914004 78.960 > 55 60 Se 0.73887102511219 0.41549576678902 0.77433393914004 78.960 > 55 61 Se 0.26112897488781 0.41549576678902 0.47566606085996 78.960 > 61 62 Se 0.59446230822114 0.41549576678902 0.47566606085996 78.960 > 61 63 Se 0.92779564155448 0.41549576678902 0.47566606085996 78.960 > 61 64 Se 0.26112897488781 0.41549576678902 0.97566606085996 78.960 > 61 65 Se 0.59446230822114 0.41549576678902 0.97566606085996 78.960 > 61 66 Se 0.92779564155448 0.41549576678902 0.97566606085996 78.960 > 61 67 Se 0.09446230822114 0.08450423321098 0.22566606085996 78.960 > 67 68 Se 0.42779564155448 0.08450423321098 0.22566606085996 78.960 > 67 69 Se 0.76112897488781 0.08450423321098 0.22566606085996 78.960 > 67 70 Se 0.09446230822114 0.08450423321098 0.72566606085996 78.960 > 67 71 Se 0.42779564155448 0.08450423321098 0.72566606085996 78.960 > 67 72 Se 0.76112897488781 0.08450423321098 0.72566606085996 78.960 > 67 73 Se 0.00000000000000 0.19757212839777 0.12500000000000 78.960 > 73 74 Se 0.33333333333333 0.19757212839777 0.12500000000000 78.960 > 73 75 Se 0.66666666666667 0.19757212839777 0.12500000000000 78.960 > 73 76 Se 0.00000000000000 0.19757212839777 0.62500000000000 78.960 > 73 77 Se 0.33333333333333 0.19757212839777 0.62500000000000 78.960 > 73 78 Se 0.66666666666667 0.19757212839777 0.62500000000000 78.960 > 73 79 Se 0.16666666666667 0.30242787160223 0.37500000000000 78.960 > 79 80 Se 0.50000000000000 0.30242787160223 0.37500000000000 78.960 > 79 81 Se 0.83333333333333 0.30242787160223 0.37500000000000 78.960 > 79 82 Se 0.16666666666667 0.30242787160223 0.87500000000000 78.960 > 79 83 Se 0.50000000000000 0.30242787160223 0.87500000000000 78.960 > 79 84 Se 0.83333333333333 0.30242787160223 0.87500000000000 78.960 > 79 85 Se 0.07220435844552 0.58450423321098 0.02433393914004 78.960 > 49 86 Se 0.40553769177886 0.58450423321098 0.02433393914004 78.960 > 49 87 Se 0.73887102511219 0.58450423321098 0.02433393914004 78.960 > 49 88 Se 0.07220435844552 0.58450423321098 0.52433393914004 78.960 > 49 89 Se 0.40553769177886 0.58450423321098 0.52433393914004 78.960 > 49 90 Se 0.73887102511219 0.58450423321098 0.52433393914004 78.960 > 49 91 Se 0.23887102511219 0.91549576678902 0.27433393914004 78.960 > 55 92 Se 0.57220435844552 0.91549576678902 0.27433393914004 78.960 > 55 93 Se 0.90553769177886 0.91549576678902 0.27433393914004 78.960 > 55 94 Se 0.23887102511219 0.91549576678902 0.77433393914004 78.960 > 55 95 Se 0.57220435844552 0.91549576678902 0.77433393914004 78.960 > 55 96 Se 0.90553769177886 0.91549576678902 0.77433393914004 78.960 > 55 97 Se 0.09446230822114 0.91549576678902 0.47566606085996 78.960 > 61 98 Se 0.42779564155448 0.91549576678902 0.47566606085996 78.960 > 61 99 Se 0.76112897488781 0.91549576678902 0.47566606085996 78.960 > 61 100 Se 0.09446230822114 0.91549576678902 0.97566606085996 78.960 > 61 101 Se 0.42779564155448 0.91549576678902 0.97566606085996 78.960 > 61 102 Se 0.76112897488781 0.91549576678902 0.97566606085996 78.960 > 61 103 Se 0.26112897488781 0.58450423321098 0.22566606085996 78.960 > 67 104 Se 0.59446230822114 0.58450423321098 0.22566606085996 78.960 > 67 105 Se 0.92779564155448 0.58450423321098 0.22566606085996 78.960 > 67 106 Se 0.26112897488781 0.58450423321098 0.72566606085996 78.960 > 67 107 Se 0.59446230822114 0.58450423321098 0.72566606085996 78.960 > 67 108 Se 0.92779564155448 0.58450423321098 0.72566606085996 78.960 > 67 109 Se 0.16666666666667 0.69757212839777 0.12500000000000 78.960 > 73 110 Se 0.50000000000000 0.69757212839777 0.12500000000000 78.960 > 73 111 Se 0.83333333333333 0.69757212839777 0.12500000000000 78.960 > 73 112 Se 0.16666666666667 0.69757212839777 0.62500000000000 78.960 > 73 113 Se 0.50000000000000 0.69757212839777 0.62500000000000 78.960 > 73 114 Se 0.83333333333333 0.69757212839777 0.62500000000000 78.960 > 73 115 Se 0.00000000000000 0.80242787160223 0.37500000000000 78.960 > 79 116 Se 0.33333333333333 0.80242787160223 0.37500000000000 78.960 > 79 117 Se 0.66666666666667 0.80242787160223 0.37500000000000 78.960 > 79 118 Se 0.00000000000000 0.80242787160223 0.87500000000000 78.960 > 79 119 Se 0.33333333333333 0.80242787160223 0.87500000000000 78.960 > 79 120 Se 0.66666666666667 0.80242787160223 0.87500000000000 78.960 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.1829793 0.0000000 2.0421862 0.0000000 7.9470709 0.0000000 2.0420627 0.0000000 9.4682578 -------------------------- Born effective charges -------------------------- 1 Cs 1.5944953 0.0000000 -0.1490409 0.0000000 1.5641307 0.0000000 -0.0989944 0.0000000 1.4422501 2 Cs 1.5944953 0.0000000 -0.1490409 0.0000000 1.5641307 0.0000000 -0.0989944 0.0000000 1.4422501 3 Au 0.8300570 0.0000000 -1.1309408 0.0000000 -0.7197312 0.0000000 -0.2776011 0.0000000 -0.3753706 4 Au 0.8300570 0.0000000 -1.1309408 0.0000000 -0.7197312 0.0000000 -0.2776011 0.0000000 -0.3753706 5 Se -0.9667042 0.0354581 0.1266240 -0.0376488 -0.3947059 0.6906873 0.0447883 0.5848381 -0.8457907 6 Se -0.9667042 -0.0354581 0.1266240 0.0376488 -0.3947059 -0.6906873 0.0447883 -0.5848381 -0.8457907 7 Se -0.9667042 0.0354581 0.1266240 -0.0376488 -0.3947059 0.6906873 0.0447883 0.5848381 -0.8457907 8 Se -0.9667042 -0.0354581 0.1266240 0.0376488 -0.3947059 -0.6906873 0.0447883 -0.5848381 -0.8457907 9 Se -0.4911439 0.0000000 1.0267337 0.0000000 -0.0549876 0.0000000 0.2870190 0.0000000 0.6247018 10 Se -0.4911439 0.0000000 1.0267337 0.0000000 -0.0549876 0.0000000 0.2870190 0.0000000 0.6247018 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 293, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/160) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.675 ( 0.000 0.000 0.000) 0.000 0.987 ( 0.000 0.000 0.000) 0.000 1.206 ( 0.000 0.000 0.000) 0.000 1.239 ( 0.000 0.000 0.000) 0.000 1.526 ( 0.000 0.000 0.000) 0.000 1.632 ( 0.000 0.000 0.000) 0.000 1.777 ( 0.000 0.000 0.000) 0.000 1.866 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 6.385 ( 0.000 0.000 0.000) 0.000 6.455 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.088 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.168 ( 11.567 6.309 4.614) 13.960 0.301 ( 17.179 -3.853 -4.517) 18.176 0.438 ( 17.140 -11.667 4.614) 21.241 0.725 ( 5.232 -0.116 -0.551) 5.262 1.042 ( -0.263 1.992 2.327) 3.074 1.203 ( 1.483 1.617 -2.908) 3.643 1.253 ( 1.247 -0.984 -0.196) 1.600 1.528 ( 0.843 -0.000 -1.662) 1.864 1.687 ( -2.321 1.045 5.575) 6.129 1.742 ( -7.367 -2.960 -0.394) 7.950 1.830 ( -3.019 1.516 0.599) 3.431 1.918 ( -3.736 -0.980 2.571) 4.640 2.059 ( 0.542 3.680 0.063) 3.720 2.099 ( -2.462 0.301 -1.025) 2.683 2.102 ( 0.422 -0.570 -0.932) 1.172 2.214 ( -8.849 0.310 1.515) 8.983 2.377 ( 6.559 -1.145 0.959) 6.727 2.613 ( 0.722 0.570 1.322) 1.610 3.020 ( 2.369 1.200 -0.424) 2.689 3.083 ( -11.324 -0.194 -2.892) 11.690 3.122 ( 3.360 -0.660 -2.367) 4.163 3.527 ( 8.016 -0.555 1.228) 8.129 5.758 ( 0.076 -0.368 0.362) 0.522 5.901 ( 0.959 -0.439 -0.267) 1.088 6.008 ( 1.766 -0.329 1.594) 2.402 6.339 ( -2.955 0.207 -2.369) 3.793 6.474 ( 0.834 0.418 0.678) 1.153 6.667 ( -0.867 0.063 -0.866) 1.227 6.965 ( 1.670 1.306 -2.812) 3.522 7.097 ( 0.757 -0.226 0.408) 0.889 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 11.940 6.024 5.159) 14.334 0.581 ( 15.326 -2.582 -4.808) 16.269 0.803 ( 7.577 -1.891 -2.663) 8.251 0.834 ( 11.923 -6.344 2.668) 13.767 1.042 ( 1.436 1.228 0.216) 1.902 1.202 ( 3.641 2.400 -3.857) 5.822 1.294 ( 2.634 -1.809 -1.216) 3.419 1.531 ( 1.079 -0.285 -3.056) 3.253 1.617 ( -8.214 0.185 3.514) 8.936 1.669 ( -3.916 -2.725 0.261) 4.778 1.770 ( -3.012 2.181 2.409) 4.431 1.852 ( -6.466 -0.604 2.668) 7.021 2.013 ( -5.291 2.814 0.194) 5.996 2.029 ( -3.017 0.674 -1.246) 3.333 2.084 ( -3.972 -0.421 3.004) 4.998 2.115 ( -0.962 0.169 0.836) 1.286 2.488 ( 2.523 -0.362 0.407) 2.581 2.589 ( -3.807 0.611 1.627) 4.185 2.883 ( -7.698 -0.384 -2.339) 8.054 3.060 ( 3.066 0.641 -0.419) 3.161 3.194 ( 4.765 -1.402 -1.213) 5.113 3.647 ( 5.369 0.812 -0.064) 5.431 5.771 ( 0.604 -0.783 0.577) 1.145 5.926 ( 1.833 -0.014 -0.253) 1.850 6.069 ( 3.188 -0.691 2.031) 3.843 6.277 ( -2.104 0.084 -1.958) 2.875 6.470 ( -0.822 0.695 -0.399) 1.148 6.636 ( -1.665 0.216 -1.478) 2.236 6.965 ( 0.687 0.739 -0.902) 1.354 7.118 ( 0.900 -0.246 0.536) 1.077 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 10.126 5.341 5.998) 12.924 0.736 ( 3.209 1.460 -5.523) 6.552 0.874 ( 8.209 0.013 -4.649) 9.434 1.026 ( 1.534 -4.898 1.206) 5.272 1.128 ( 9.495 2.101 -4.558) 10.740 1.273 ( 7.494 -1.729 0.020) 7.691 1.359 ( 5.253 -0.755 -2.738) 5.972 1.496 ( -7.571 -2.089 2.321) 8.190 1.531 ( -1.068 -0.016 -1.045) 1.494 1.626 ( -1.719 -0.137 -1.616) 2.363 1.716 ( -3.509 1.459 2.612) 4.611 1.764 ( -5.431 0.118 2.257) 5.882 1.883 ( -6.687 -0.101 1.658) 6.890 1.978 ( -2.776 -0.404 -0.219) 2.814 2.072 ( -2.171 -0.590 3.937) 4.534 2.100 ( -0.640 1.354 1.139) 1.881 2.410 ( -7.011 2.188 -1.941) 7.597 2.503 ( -7.148 0.725 0.942) 7.246 2.870 ( 4.172 -1.855 0.707) 4.620 3.094 ( 1.555 0.171 -1.016) 1.865 3.282 ( 4.185 -1.496 0.040) 4.444 3.693 ( 1.879 1.504 -1.385) 2.777 5.798 ( 1.083 -1.014 0.626) 1.610 5.956 ( 1.793 0.284 -0.197) 1.826 6.146 ( 3.243 -0.608 2.132) 3.928 6.245 ( -0.586 -0.129 -0.773) 0.979 6.435 ( -1.755 0.661 -1.143) 2.196 6.591 ( -1.960 0.288 -1.511) 2.491 6.964 ( 0.309 0.388 -0.283) 0.571 7.135 ( 0.553 -0.140 0.379) 0.685 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -0.191 2.175 2.952) 3.672 0.716 ( 3.757 2.325 -2.590) 5.122 0.950 ( 2.247 -0.958 -3.651) 4.393 1.104 ( 2.128 -1.503 1.665) 3.092 1.213 ( 8.094 0.516 -5.096) 9.578 1.328 ( -6.166 0.408 3.579) 7.141 1.426 ( -0.932 -0.429 0.767) 1.280 1.464 ( 3.991 -1.517 -2.235) 4.819 1.514 ( 0.332 -1.341 -1.068) 1.746 1.608 ( 0.968 1.411 -1.037) 2.001 1.679 ( -1.710 1.188 0.245) 2.096 1.703 ( -0.544 0.069 1.186) 1.307 1.839 ( -1.732 -1.712 2.863) 3.759 1.925 ( -4.005 -0.658 0.181) 4.063 2.062 ( -1.336 -0.508 1.706) 2.226 2.075 ( -1.333 1.597 0.367) 2.112 2.309 ( -0.163 0.231 -1.822) 1.843 2.378 ( -5.969 1.306 0.753) 6.157 2.970 ( 3.481 -1.040 1.139) 3.807 3.094 ( -0.471 0.036 -0.887) 1.005 3.349 ( 1.906 -0.744 0.327) 2.072 3.684 ( -0.015 0.927 -1.011) 1.372 5.825 ( 0.621 -0.545 0.313) 0.883 5.975 ( 0.738 0.225 -0.080) 0.775 6.204 ( 1.477 -0.226 0.982) 1.788 6.242 ( 0.110 -0.112 0.023) 0.158 6.397 ( -1.011 0.291 -0.758) 1.297 6.554 ( -1.002 0.134 -0.695) 1.227 6.965 ( 0.088 0.116 -0.059) 0.157 7.144 ( 0.160 -0.038 0.125) 0.207 ======================= Grid point 10 (6/160) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 13.425 0.000 0.087) 13.425 0.523 ( 12.077 0.000 7.332) 14.129 0.735 ( 19.667 0.000 -2.911) 19.881 0.813 ( 5.023 0.000 -1.461) 5.231 1.054 ( 0.834 0.000 0.871) 1.206 1.235 ( 4.648 0.000 -5.329) 7.071 1.267 ( 1.112 0.000 -0.041) 1.112 1.526 ( 0.430 0.000 -3.704) 3.728 1.628 ( -7.582 -0.000 4.784) 8.966 1.636 ( -3.818 -0.000 -0.283) 3.829 1.794 ( -2.736 -0.000 1.494) 3.117 1.844 ( -6.666 -0.000 3.842) 7.694 2.035 ( -3.210 -0.000 -1.919) 3.740 2.042 ( -9.080 -0.000 0.074) 9.081 2.079 ( -2.357 -0.000 4.541) 5.116 2.113 ( 0.158 0.000 -0.858) 0.873 2.484 ( 3.828 0.000 0.897) 3.932 2.596 ( -4.059 -0.000 1.597) 4.362 2.878 ( -8.234 -0.000 -2.435) 8.587 3.066 ( 2.834 0.000 -1.020) 3.012 3.183 ( 4.841 0.000 -0.969) 4.937 3.653 ( 5.590 0.000 0.163) 5.592 5.765 ( 0.572 0.000 0.623) 0.846 5.925 ( 1.987 0.000 -0.180) 1.995 6.063 ( 3.221 0.000 2.146) 3.871 6.277 ( -2.217 -0.000 -2.032) 3.007 6.476 ( -0.840 -0.000 -0.582) 1.022 6.637 ( -1.605 -0.000 -1.537) 2.222 6.972 ( 0.488 0.000 -1.346) 1.431 7.115 ( 0.934 0.000 0.671) 1.150 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 10.474 6.394 3.738) 12.828 0.746 ( 6.412 -0.925 -1.698) 6.697 0.878 ( 6.448 0.427 -1.997) 6.764 0.939 ( 2.970 -4.226 -2.065) 5.562 1.158 ( 11.693 1.075 -1.586) 11.849 1.270 ( 3.818 1.756 -0.875) 4.292 1.322 ( 4.692 -3.420 -3.249) 6.653 1.470 ( -4.341 -0.668 -3.376) 5.539 1.525 ( -5.965 -0.402 2.587) 6.514 1.623 ( 1.496 -0.072 -0.588) 1.609 1.743 ( -4.667 1.442 3.243) 5.863 1.760 ( -4.829 -0.569 2.505) 5.470 1.888 ( -7.740 0.371 0.565) 7.770 1.973 ( -3.493 -0.172 0.151) 3.501 2.062 ( -3.248 -0.438 4.873) 5.873 2.118 ( 0.530 0.612 -0.045) 0.811 2.439 ( -7.364 0.993 -1.825) 7.652 2.510 ( -6.617 0.151 0.924) 6.683 2.847 ( 4.204 -0.759 0.946) 4.375 3.093 ( 0.923 -0.143 -0.953) 1.335 3.268 ( 4.810 -0.317 0.203) 4.824 3.710 ( 1.842 0.502 -1.607) 2.496 5.786 ( 1.186 -0.376 0.802) 1.481 5.959 ( 1.897 0.102 -0.167) 1.907 6.138 ( 3.330 -0.248 2.588) 4.224 6.244 ( -0.652 -0.056 -0.810) 1.041 6.443 ( -1.816 0.257 -1.584) 2.423 6.594 ( -1.961 0.119 -1.686) 2.589 6.970 ( 0.129 0.179 -0.569) 0.610 7.134 ( 0.609 -0.065 0.514) 0.799 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -1.827 4.360 0.451) 4.749 0.762 ( 0.243 2.467 -0.544) 2.538 0.936 ( 4.799 -0.653 -6.330) 7.971 1.073 ( 6.922 -1.900 1.784) 7.396 1.228 ( 3.126 1.515 -3.241) 4.751 1.322 ( -6.739 -1.506 2.680) 7.407 1.393 ( 2.038 -2.599 1.110) 3.484 1.443 ( 4.380 -1.142 -2.667) 5.253 1.485 ( 0.460 -1.089 -1.380) 1.817 1.637 ( -0.701 1.412 0.444) 1.638 1.696 ( -0.241 0.462 0.990) 1.119 1.709 ( -2.697 0.693 0.933) 2.937 1.823 ( 0.717 -0.141 1.790) 1.934 1.916 ( -3.570 -0.376 0.830) 3.684 2.047 ( -2.295 -0.871 3.459) 4.242 2.110 ( -0.505 1.916 -0.242) 1.997 2.311 ( -2.511 0.000 -2.670) 3.665 2.392 ( -6.657 0.434 0.265) 6.677 2.956 ( 4.685 -0.546 2.452) 5.316 3.088 ( -1.090 -0.469 -0.200) 1.203 3.343 ( 3.057 -0.066 0.750) 3.149 3.696 ( -0.842 0.482 -2.399) 2.587 5.817 ( 1.146 -0.395 0.837) 1.473 5.979 ( 0.603 0.225 -0.200) 0.674 6.200 ( 1.472 -0.190 1.927) 2.432 6.240 ( 0.180 -0.087 0.183) 0.271 6.401 ( -1.088 0.225 -1.644) 1.984 6.556 ( -1.110 0.084 -1.009) 1.503 6.966 ( -0.035 0.085 -0.295) 0.309 7.143 ( 0.199 -0.030 0.212) 0.293 ======================= Grid point 13 (9/160) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -1.678 1.947 -3.624) 4.443 0.692 ( -5.010 -0.595 3.165) 5.955 0.970 ( -0.366 1.520 0.260) 1.585 1.118 ( -0.881 0.054 -1.674) 1.893 1.203 ( -9.668 -0.861 5.314) 11.066 1.311 ( 6.662 -1.600 -1.961) 7.127 1.421 ( -1.037 -0.519 0.910) 1.474 1.473 ( -1.357 -0.957 1.153) 2.021 1.520 ( 1.733 0.519 0.012) 1.809 1.600 ( -2.072 -0.183 1.850) 2.784 1.669 ( 0.589 0.003 -0.501) 0.773 1.703 ( -0.360 0.060 -0.671) 0.764 1.874 ( 3.513 2.132 -2.821) 4.984 1.938 ( 6.047 0.898 -0.093) 6.115 2.042 ( -0.220 -1.352 1.014) 1.704 2.084 ( 0.512 1.272 -1.677) 2.166 2.304 ( -1.579 -0.287 0.891) 1.836 2.348 ( 5.209 -2.062 -1.346) 5.761 2.991 ( -2.092 1.491 0.431) 2.605 3.084 ( -0.365 -1.139 1.541) 1.950 3.368 ( -0.303 1.368 0.479) 1.481 3.666 ( -1.127 -1.081 -0.827) 1.767 5.834 ( 0.096 0.397 0.424) 0.589 5.972 ( -0.999 -0.058 -0.206) 1.022 6.207 ( -1.493 0.137 0.146) 1.507 6.244 ( -0.045 0.070 0.242) 0.256 6.392 ( 0.924 -0.197 -0.400) 1.026 6.551 ( 0.889 -0.123 0.363) 0.968 6.963 ( -0.211 -0.089 -0.192) 0.299 7.144 ( -0.120 0.028 -0.035) 0.128 ======================= Grid point 14 (10/160) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -7.699 1.284 -3.221) 8.444 0.715 ( -0.195 -0.861 4.964) 5.041 0.879 ( -9.163 0.726 4.413) 10.196 1.084 ( -1.630 1.688 -1.721) 2.910 1.094 ( -8.133 -1.949 5.579) 10.053 1.308 ( -11.482 1.767 4.171) 12.344 1.366 ( 0.033 0.847 -1.359) 1.602 1.503 ( 3.555 -1.498 -1.570) 4.164 1.546 ( 2.441 1.772 0.073) 3.017 1.618 ( 2.598 -1.089 1.655) 3.267 1.703 ( 3.465 -0.162 -0.778) 3.555 1.754 ( 6.049 -1.120 -2.366) 6.591 1.902 ( 4.251 2.144 -2.366) 5.317 1.986 ( 1.334 0.483 0.558) 1.525 2.067 ( 0.765 -1.345 -2.364) 2.825 2.088 ( 2.358 0.172 -3.325) 4.080 2.371 ( 6.288 -2.197 2.011) 6.958 2.485 ( 8.491 -1.355 -0.896) 8.645 2.907 ( -4.241 2.527 -0.290) 4.945 3.082 ( -2.460 -1.333 1.004) 2.973 3.320 ( -3.052 2.951 0.534) 4.279 3.660 ( -2.071 -2.323 0.843) 3.224 5.819 ( -0.851 1.309 -0.204) 1.574 5.950 ( -1.719 -0.419 0.040) 1.770 6.157 ( -3.101 0.666 -1.300) 3.428 6.247 ( 0.465 0.124 0.751) 0.892 6.422 ( 1.660 -0.771 0.307) 1.856 6.586 ( 1.963 -0.306 1.281) 2.364 6.958 ( -0.501 -0.360 -0.056) 0.620 7.138 ( -0.491 0.129 -0.215) 0.552 ======================= Grid point 15 (11/160) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -5.675 5.087 0.639) 7.648 0.621 ( -14.069 2.606 7.586) 16.195 0.795 ( -4.266 -1.269 0.618) 4.493 0.964 ( -10.315 5.939 0.230) 11.905 1.027 ( -2.213 0.367 0.073) 2.244 1.164 ( -5.797 -2.038 3.934) 7.296 1.326 ( -1.638 2.416 0.196) 2.925 1.530 ( -1.062 -0.430 2.116) 2.407 1.618 ( 7.398 -0.270 -3.002) 7.988 1.702 ( 5.007 -0.275 0.317) 5.024 1.748 ( 2.108 0.892 -2.236) 3.200 1.857 ( 6.814 -0.166 -2.026) 7.110 1.963 ( 2.378 -2.723 -0.123) 3.617 2.014 ( 1.899 -1.104 0.231) 2.209 2.090 ( 4.280 0.227 -2.025) 4.740 2.105 ( 1.818 -0.730 -2.766) 3.389 2.485 ( 1.112 -0.900 0.848) 1.663 2.588 ( 3.079 0.743 -1.675) 3.583 2.887 ( 5.432 0.048 1.778) 5.715 3.044 ( -2.883 -1.243 -0.488) 3.177 3.234 ( -4.482 3.319 1.692) 5.828 3.624 ( -5.114 -1.963 0.428) 5.494 5.790 ( -0.681 1.392 -0.423) 1.607 5.924 ( -1.571 -0.228 0.268) 1.610 6.085 ( -3.051 1.128 -1.647) 3.646 6.275 ( 1.808 -0.155 1.783) 2.544 6.454 ( 0.784 -1.132 -0.125) 1.383 6.631 ( 1.806 -0.299 1.367) 2.285 6.951 ( -0.896 -0.748 0.251) 1.194 7.123 ( -0.851 0.277 -0.323) 0.952 ======================= Grid point 16 (12/160) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( -0.514 10.910 7.095) 13.025 0.373 ( -15.023 5.840 7.102) 17.613 0.668 ( -10.922 13.772 -5.668) 18.469 0.715 ( -5.443 -1.349 -0.565) 5.636 1.004 ( -1.447 -1.905 -1.563) 2.858 1.161 ( -1.361 -3.145 3.063) 4.596 1.284 ( -1.040 2.685 0.766) 2.980 1.527 ( -0.786 -0.105 1.521) 1.716 1.694 ( 1.292 1.524 -3.981) 4.454 1.768 ( 4.774 -1.616 -0.225) 5.045 1.800 ( 5.487 -0.407 0.597) 5.535 1.936 ( 3.870 0.882 -2.461) 4.671 1.995 ( -0.662 -3.467 -0.526) 3.569 2.075 ( 1.971 -2.391 1.568) 3.472 2.104 ( -0.035 -0.169 -1.695) 1.704 2.208 ( 8.158 -0.298 -0.562) 8.183 2.409 ( -6.014 2.485 -0.713) 6.546 2.600 ( -1.063 -0.882 -0.791) 1.592 3.000 ( -1.341 -1.102 -1.218) 2.121 3.081 ( 10.664 -0.575 2.286) 10.922 3.147 ( -3.657 2.424 2.551) 5.075 3.525 ( -7.237 -0.938 -0.549) 7.319 5.770 ( -0.170 1.046 -0.299) 1.101 5.907 ( -0.614 0.157 0.432) 0.767 6.021 ( -1.905 1.175 -1.285) 2.581 6.332 ( 2.691 -0.545 2.258) 3.555 6.460 ( -0.764 -1.109 -0.916) 1.629 6.665 ( 1.011 -0.126 0.812) 1.303 6.943 ( -1.496 -1.114 0.720) 1.999 7.103 ( -0.807 0.369 -0.254) 0.923 ======================= Grid point 17 (13/160) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.131 ( -0.000 7.691 -0.000) 7.691 0.247 ( -0.000 14.150 -0.000) 14.150 0.342 ( -0.000 19.687 -0.000) 19.687 0.665 ( 0.000 -1.171 0.000) 1.171 0.981 ( 0.000 -0.663 0.000) 0.663 1.185 ( 0.000 -2.400 0.000) 2.400 1.258 ( -0.000 2.220 -0.000) 2.220 1.526 ( 0.000 -0.036 0.000) 0.036 1.651 ( -0.000 2.094 -0.000) 2.094 1.839 ( 0.000 -3.017 0.000) 3.017 1.938 ( -0.000 0.435 -0.000) 0.435 1.943 ( 0.000 -2.365 0.000) 2.365 1.967 ( 0.000 -0.260 0.000) 0.260 2.083 ( 0.000 -0.024 0.000) 0.024 2.129 ( 0.000 -1.523 0.000) 1.523 2.302 ( -0.000 0.548 -0.000) 0.548 2.311 ( -0.000 1.606 -0.000) 1.606 2.583 ( 0.000 -0.861 0.000) 0.861 2.964 ( -0.000 0.769 -0.000) 0.769 3.102 ( -0.000 1.447 -0.000) 1.447 3.239 ( 0.000 -1.024 0.000) 1.024 3.445 ( 0.000 -1.051 0.000) 1.051 5.761 ( -0.000 0.680 -0.000) 0.680 5.908 ( 0.000 -0.079 0.000) 0.079 5.988 ( -0.000 1.027 -0.000) 1.027 6.380 ( 0.000 -0.613 0.000) 0.613 6.448 ( 0.000 -0.766 0.000) 0.766 6.677 ( 0.000 -0.022 0.000) 0.022 6.929 ( 0.000 -0.338 0.000) 0.338 7.091 ( -0.000 0.315 -0.000) 0.315 ======================= Grid point 20 (14/160) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -2.405 -0.000 -2.932) 3.792 0.782 ( -3.193 -0.000 2.727) 4.200 0.930 ( 7.195 0.000 -7.695) 10.535 1.053 ( 10.007 0.000 2.109) 10.227 1.262 ( -2.334 -0.000 2.982) 3.786 1.281 ( -3.559 -0.000 -5.636) 6.665 1.372 ( 3.264 0.000 3.464) 4.760 1.430 ( 2.748 0.000 -2.419) 3.661 1.479 ( 1.876 0.000 -1.522) 2.416 1.649 ( -1.886 -0.000 1.094) 2.181 1.699 ( -0.334 -0.000 1.264) 1.308 1.716 ( -2.613 -0.000 0.858) 2.751 1.825 ( 1.875 0.000 0.826) 2.049 1.913 ( -3.607 -0.000 1.216) 3.807 2.038 ( -2.512 -0.000 4.130) 4.834 2.128 ( 0.185 0.000 -0.285) 0.340 2.310 ( -3.925 -0.000 -3.023) 4.954 2.395 ( -6.847 -0.000 0.053) 6.847 2.952 ( 5.214 0.000 2.991) 6.011 3.084 ( -1.335 -0.000 0.042) 1.336 3.343 ( 3.443 0.000 0.895) 3.558 3.700 ( -1.143 -0.000 -2.914) 3.130 5.813 ( 1.327 0.000 1.014) 1.670 5.981 ( 0.574 0.000 -0.217) 0.613 6.198 ( 1.471 0.000 2.290) 2.721 6.240 ( 0.211 0.000 0.226) 0.309 6.403 ( -1.118 -0.000 -1.958) 2.255 6.556 ( -1.156 -0.000 -1.138) 1.622 6.967 ( -0.089 -0.000 -0.392) 0.402 7.143 ( 0.217 0.000 0.249) 0.330 ======================= Grid point 21 (15/160) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -2.921 2.072 -2.227) 4.217 0.689 ( -5.173 -0.127 2.190) 5.619 0.999 ( 2.914 1.559 -3.357) 4.711 1.106 ( -4.505 -1.172 -2.556) 5.310 1.188 ( -9.345 -0.557 6.784) 11.561 1.283 ( 7.411 -1.180 -0.392) 7.515 1.415 ( 0.122 -0.160 1.559) 1.572 1.453 ( -2.111 -0.763 2.102) 3.076 1.533 ( 5.138 0.567 -1.278) 5.325 1.593 ( -3.374 -0.357 1.886) 3.882 1.673 ( -1.501 0.227 -0.658) 1.655 1.704 ( -0.348 0.016 -0.441) 0.562 1.900 ( 3.673 0.785 -2.560) 4.545 1.954 ( 9.741 0.809 -1.117) 9.838 2.024 ( -1.957 -0.773 2.682) 3.409 2.106 ( -1.664 1.000 -1.343) 2.360 2.301 ( -2.661 -0.066 0.328) 2.682 2.316 ( 5.283 -1.325 -1.911) 5.773 3.018 ( -0.386 1.496 2.009) 2.534 3.059 ( -1.681 -1.466 1.347) 2.606 3.388 ( 0.952 0.734 1.396) 1.842 3.651 ( -2.106 -0.531 -2.331) 3.186 5.838 ( 0.627 0.131 0.983) 1.173 5.972 ( -1.226 0.018 -0.479) 1.316 6.208 ( -1.513 0.038 0.924) 1.773 6.245 ( -0.007 0.019 0.445) 0.445 6.390 ( 0.867 -0.061 -1.234) 1.509 6.550 ( 0.822 -0.050 0.162) 0.839 6.962 ( -0.285 -0.032 -0.349) 0.451 7.145 ( -0.096 0.010 0.019) 0.098 ======================= Grid point 22 (16/160) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -4.635 4.759 1.308) 6.771 0.704 ( 1.567 -0.689 2.901) 3.368 0.905 ( -9.161 2.576 2.951) 9.964 1.051 ( -6.756 -3.628 4.152) 8.720 1.090 ( -3.842 -0.264 -0.008) 3.851 1.329 ( -10.416 1.100 5.293) 11.736 1.394 ( 3.371 1.847 -0.587) 3.888 1.468 ( 2.977 -2.250 -0.595) 3.778 1.565 ( 0.464 0.454 -0.355) 0.739 1.605 ( 1.568 -0.260 1.490) 2.179 1.698 ( 4.925 -0.530 -1.966) 5.329 1.734 ( 5.373 -0.893 -1.553) 5.664 1.947 ( 3.539 2.811 -2.438) 5.136 1.993 ( -0.401 0.344 0.700) 0.877 2.043 ( -0.222 -1.400 -3.023) 3.339 2.091 ( 2.813 0.045 -3.055) 4.153 2.341 ( 5.651 -1.335 2.040) 6.154 2.461 ( 10.027 -1.212 -0.929) 10.143 2.954 ( -4.209 2.908 0.229) 5.121 3.050 ( -3.051 -2.324 0.895) 3.938 3.373 ( -1.971 2.893 1.534) 3.822 3.619 ( -2.505 -2.286 -0.080) 3.392 5.839 ( -0.501 1.013 0.459) 1.220 5.942 ( -1.813 -0.400 -0.441) 1.908 6.167 ( -2.959 0.428 -0.415) 3.018 6.249 ( 0.335 0.065 0.793) 0.863 6.411 ( 1.578 -0.515 -0.626) 1.774 6.581 ( 1.968 -0.189 1.113) 2.269 6.953 ( -0.618 -0.201 -0.290) 0.712 7.140 ( -0.449 0.073 -0.098) 0.465 ======================= Grid point 23 (17/160) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -1.946 7.877 4.987) 9.524 0.680 ( -8.516 4.534 6.185) 11.460 0.771 ( -5.631 -1.260 0.155) 5.773 0.992 ( -4.922 -0.627 5.097) 7.113 1.051 ( -2.110 -0.892 -0.781) 2.420 1.155 ( -10.485 2.014 4.100) 11.436 1.385 ( 0.318 4.635 -0.788) 4.712 1.520 ( 0.338 -0.682 1.125) 1.359 1.592 ( 3.647 -2.546 -1.713) 4.766 1.679 ( 4.553 -2.251 0.184) 5.082 1.774 ( 3.838 1.307 -1.511) 4.327 1.847 ( 7.283 -0.756 -1.626) 7.500 1.934 ( -0.153 -0.519 -1.078) 1.206 1.994 ( -0.093 -1.156 -0.179) 1.174 2.086 ( 5.670 -0.602 -2.427) 6.197 2.100 ( 1.405 0.079 -3.093) 3.398 2.463 ( 3.507 -1.387 1.836) 4.194 2.607 ( 4.723 1.173 -1.171) 5.006 2.889 ( 1.319 0.343 0.728) 1.545 3.019 ( -1.734 -1.570 -0.895) 2.505 3.300 ( -4.107 4.238 2.170) 6.288 3.582 ( -5.116 -2.894 0.577) 5.906 5.816 ( -0.765 1.598 -0.092) 1.774 5.917 ( -1.394 -0.605 -0.017) 1.519 6.104 ( -2.821 1.087 -1.055) 3.202 6.272 ( 1.459 -0.154 1.636) 2.197 6.434 ( 0.751 -1.081 -0.851) 1.567 6.626 ( 1.944 -0.245 1.272) 2.336 6.941 ( -0.963 -0.474 -0.126) 1.081 7.127 ( -0.799 0.202 -0.157) 0.839 ======================= Grid point 24 (18/160) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -7.157 6.050 7.715) 12.138 0.526 ( -2.093 11.573 5.427) 12.952 0.685 ( -5.393 -1.939 -1.015) 5.820 0.881 ( -6.708 10.727 -2.038) 12.814 0.983 ( -2.570 -0.340 -0.325) 2.613 1.096 ( -2.070 -4.596 2.861) 5.796 1.346 ( 0.024 4.673 0.682) 4.722 1.525 ( -0.586 -0.147 1.369) 1.496 1.688 ( 4.436 -4.115 -1.553) 6.247 1.746 ( -0.261 1.560 -2.479) 2.940 1.794 ( 3.975 -1.427 0.919) 4.323 1.935 ( 2.887 -1.368 -2.733) 4.205 1.960 ( 1.592 0.042 -0.187) 1.603 2.024 ( 1.551 -3.374 0.917) 3.825 2.102 ( 0.634 -0.065 -1.834) 1.941 2.204 ( 8.281 -0.223 -0.464) 8.297 2.452 ( -4.851 2.266 0.029) 5.355 2.587 ( -2.739 -0.501 -0.452) 2.821 2.983 ( 2.469 -0.760 -1.343) 2.911 3.064 ( 8.870 -1.398 0.840) 9.018 3.203 ( -4.385 4.051 2.704) 6.554 3.496 ( -7.414 -2.474 -0.165) 7.818 5.792 ( -0.313 1.509 -0.186) 1.553 5.905 ( -0.615 -0.412 0.229) 0.775 6.045 ( -1.763 1.583 -0.906) 2.537 6.322 ( 2.293 -0.625 2.143) 3.200 6.438 ( -0.653 -1.378 -1.341) 2.031 6.662 ( 1.171 -0.148 0.794) 1.423 6.928 ( -1.037 -0.661 0.079) 1.232 7.109 ( -0.762 0.361 -0.148) 0.856 ======================= Grid point 25 (19/160) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.258 ( -0.000 7.263 -0.000) 7.263 0.472 ( -0.000 12.347 -0.000) 12.347 0.640 ( 0.000 -1.557 0.000) 1.557 0.657 ( -0.000 17.286 -0.000) 17.286 0.966 ( 0.000 -1.037 0.000) 1.037 1.128 ( 0.000 -4.283 0.000) 4.283 1.313 ( -0.000 4.186 -0.000) 4.186 1.525 ( 0.000 -0.070 0.000) 0.070 1.696 ( -0.000 3.112 -0.000) 3.112 1.770 ( 0.000 -5.029 0.000) 5.029 1.886 ( 0.000 -4.329 0.000) 4.329 1.943 ( -0.000 0.006 -0.000) 0.006 1.967 ( -0.000 0.404 -0.000) 0.404 2.071 ( 0.000 -1.974 0.000) 1.974 2.104 ( 0.000 -0.675 0.000) 0.675 2.313 ( -0.000 0.711 -0.000) 0.711 2.347 ( -0.000 2.482 -0.000) 2.482 2.561 ( 0.000 -1.618 0.000) 1.618 2.984 ( -0.000 1.489 -0.000) 1.489 3.137 ( -0.000 2.642 -0.000) 2.642 3.214 ( 0.000 -1.886 0.000) 1.886 3.418 ( 0.000 -2.080 0.000) 2.080 5.778 ( -0.000 1.254 -0.000) 1.254 5.905 ( 0.000 -0.336 0.000) 0.336 6.012 ( -0.000 1.694 -0.000) 1.694 6.367 ( 0.000 -0.909 0.000) 0.909 6.430 ( 0.000 -1.293 0.000) 1.293 6.676 ( 0.000 -0.059 0.000) 0.059 6.922 ( 0.000 -0.489 0.000) 0.489 7.097 ( -0.000 0.450 -0.000) 0.450 ======================= Grid point 30 (20/160) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -4.297 -0.000 4.448) 6.184 0.692 ( 2.659 0.000 0.680) 2.745 0.957 ( -8.769 -0.000 0.634) 8.792 0.988 ( -6.574 -0.000 4.332) 7.873 1.088 ( -4.464 -0.000 1.470) 4.700 1.342 ( -9.643 -0.000 4.712) 10.733 1.412 ( 5.481 0.000 1.059) 5.582 1.443 ( 2.663 0.000 0.013) 2.663 1.569 ( -0.436 -0.000 -0.793) 0.905 1.602 ( -0.553 -0.000 1.516) 1.614 1.692 ( 7.139 0.000 -3.494) 7.949 1.727 ( 4.206 0.000 -0.590) 4.248 1.978 ( 6.195 0.000 -2.812) 6.803 1.996 ( -1.530 -0.000 1.061) 1.861 2.026 ( -3.553 -0.000 -3.187) 4.773 2.091 ( 3.456 0.000 -2.932) 4.532 2.329 ( 5.398 0.000 2.032) 5.768 2.450 ( 10.759 0.000 -0.976) 10.803 2.997 ( -5.035 -0.000 0.668) 5.079 3.012 ( -2.350 -0.000 0.644) 2.437 3.401 ( -1.390 -0.000 2.298) 2.685 3.596 ( -2.885 -0.000 -0.813) 2.997 5.849 ( -0.277 -0.000 0.886) 0.928 5.938 ( -1.939 -0.000 -0.809) 2.101 6.170 ( -2.896 -0.000 -0.020) 2.896 6.250 ( 0.276 0.000 0.833) 0.878 6.406 ( 1.546 0.000 -1.058) 1.874 6.580 ( 1.971 0.000 1.055) 2.235 6.951 ( -0.655 -0.000 -0.371) 0.753 7.140 ( -0.433 -0.000 -0.056) 0.437 ======================= Grid point 32 (21/160) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -4.671 2.833 6.253) 8.303 0.728 ( -1.004 -0.141 -1.515) 1.823 0.808 ( -6.741 6.548 6.327) 11.329 0.940 ( -4.512 -5.666 6.748) 9.899 1.029 ( -3.146 -0.321 -1.116) 3.354 1.195 ( -9.436 1.569 4.636) 10.629 1.474 ( 2.819 4.978 -0.103) 5.721 1.509 ( 2.923 -0.483 -0.423) 2.993 1.556 ( -0.019 -0.990 -0.464) 1.094 1.614 ( 1.299 -4.751 0.656) 4.969 1.796 ( 6.382 1.266 -2.628) 7.017 1.833 ( 7.294 -0.879 -0.425) 7.359 1.937 ( -2.682 0.452 -2.677) 3.817 1.978 ( -1.050 -0.595 0.273) 1.238 2.078 ( 6.974 -0.274 -2.849) 7.538 2.102 ( 0.986 0.054 -2.882) 3.047 2.446 ( 4.278 -0.586 2.382) 4.931 2.621 ( 7.169 0.414 -0.675) 7.213 2.898 ( -2.980 0.490 -0.194) 3.026 2.996 ( 0.120 -0.915 -0.928) 1.309 3.364 ( -3.628 2.642 2.806) 5.293 3.535 ( -5.439 -2.105 0.275) 5.839 5.839 ( -0.801 0.910 0.454) 1.295 5.906 ( -1.335 -0.524 -0.593) 1.551 6.118 ( -2.627 0.464 -0.570) 2.728 6.270 ( 1.216 -0.066 1.596) 2.007 6.421 ( 0.736 -0.456 -1.438) 1.678 6.623 ( 2.020 -0.094 1.216) 2.360 6.935 ( -0.983 -0.160 -0.282) 1.035 7.129 ( -0.762 0.074 -0.064) 0.768 ======================= Grid point 33 (22/160) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -7.495 3.303 5.913) 10.102 0.656 ( -5.116 -1.330 -0.262) 5.292 0.717 ( 0.103 10.393 4.104) 11.175 0.960 ( -1.883 -0.269 1.036) 2.166 0.999 ( -1.247 -4.871 1.012) 5.129 1.058 ( -5.909 5.704 2.141) 8.487 1.440 ( 0.412 6.229 0.079) 6.244 1.524 ( -0.365 0.127 1.010) 1.081 1.610 ( 2.741 -4.298 -0.905) 5.177 1.713 ( 3.251 -5.414 0.284) 6.322 1.805 ( -0.968 2.699 -1.888) 3.433 1.920 ( 2.552 -0.331 -2.168) 3.365 1.960 ( 4.637 -2.034 0.341) 5.075 1.975 ( 0.041 -0.622 -0.578) 0.850 2.102 ( 0.970 0.078 -1.716) 1.973 2.200 ( 8.666 -0.192 -0.696) 8.696 2.479 ( -2.176 0.938 1.366) 2.735 2.585 ( -6.494 0.202 -0.898) 6.559 2.977 ( 7.135 -0.011 -0.517) 7.153 3.038 ( 6.190 -1.503 -0.813) 6.422 3.276 ( -4.726 4.415 2.562) 6.956 3.445 ( -7.738 -3.407 0.192) 8.457 5.818 ( -0.474 1.466 0.046) 1.542 5.894 ( -0.571 -0.802 -0.114) 0.991 6.070 ( -1.586 1.172 -0.587) 2.058 6.312 ( 1.930 -0.412 2.128) 2.902 6.417 ( -0.547 -0.995 -1.819) 2.145 6.660 ( 1.285 -0.104 0.775) 1.504 6.919 ( -0.870 -0.336 -0.112) 0.939 7.114 ( -0.696 0.221 -0.061) 0.733 ======================= Grid point 34 (23/160) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -0.000 5.707 -0.000) 5.707 0.616 ( 0.000 -1.168 0.000) 1.168 0.661 ( -0.000 9.842 -0.000) 9.842 0.916 ( -0.000 12.994 -0.000) 12.994 0.950 ( 0.000 -0.799 0.000) 0.799 1.043 ( 0.000 -5.712 0.000) 5.712 1.397 ( -0.000 5.569 -0.000) 5.569 1.524 ( 0.000 -0.044 0.000) 0.044 1.677 ( 0.000 -5.559 0.000) 5.559 1.751 ( -0.000 3.140 -0.000) 3.140 1.801 ( 0.000 -5.560 0.000) 5.560 1.939 ( 0.000 -0.324 0.000) 0.324 1.976 ( -0.000 0.263 -0.000) 0.263 2.024 ( 0.000 -2.790 0.000) 2.790 2.104 ( -0.000 0.318 -0.000) 0.318 2.323 ( -0.000 0.482 -0.000) 0.482 2.392 ( -0.000 2.723 -0.000) 2.723 2.529 ( 0.000 -2.149 0.000) 2.149 3.014 ( -0.000 2.009 -0.000) 2.009 3.177 ( 0.000 -2.354 0.000) 2.354 3.189 ( -0.000 3.423 -0.000) 3.423 3.375 ( 0.000 -2.969 0.000) 2.969 5.802 ( -0.000 1.535 -0.000) 1.535 5.896 ( 0.000 -0.736 0.000) 0.736 6.041 ( -0.000 1.660 -0.000) 1.660 6.352 ( 0.000 -0.766 0.000) 0.766 6.407 ( 0.000 -1.306 0.000) 1.306 6.675 ( 0.000 -0.075 0.000) 0.075 6.914 ( 0.000 -0.408 0.000) 0.408 7.105 ( -0.000 0.370 -0.000) 0.370 ======================= Grid point 41 (24/160) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -6.834 -0.000 5.162) 8.564 0.644 ( -4.946 -0.000 0.233) 4.951 0.864 ( -0.848 -0.000 2.798) 2.924 0.882 ( -0.928 -0.000 3.605) 3.722 0.969 ( -2.642 -0.000 -0.617) 2.713 1.116 ( -3.653 -0.000 3.264) 4.899 1.522 ( -0.753 -0.000 -0.596) 0.960 1.528 ( -0.486 -0.000 0.437) 0.654 1.565 ( 2.148 0.000 -1.149) 2.436 1.638 ( 4.111 0.000 2.035) 4.587 1.837 ( -1.281 -0.000 -2.681) 2.972 1.919 ( 3.181 0.000 -2.284) 3.916 1.928 ( 2.547 0.000 0.725) 2.648 1.977 ( 1.997 0.000 -0.719) 2.123 2.103 ( 1.082 0.000 -1.617) 1.945 2.199 ( 8.865 0.000 -0.857) 8.907 2.486 ( -0.661 -0.000 2.102) 2.203 2.588 ( -8.600 -0.000 -1.288) 8.696 2.979 ( 10.673 0.000 0.540) 10.687 3.022 ( 3.540 0.000 -2.129) 4.130 3.330 ( -3.845 -0.000 2.884) 4.806 3.400 ( -8.861 -0.000 -0.074) 8.861 5.834 ( -0.585 -0.000 0.316) 0.665 5.885 ( -0.498 -0.000 -0.428) 0.657 6.081 ( -1.509 -0.000 -0.454) 1.576 6.309 ( 1.776 0.000 2.160) 2.796 6.408 ( -0.500 -0.000 -2.054) 2.114 6.659 ( 1.326 0.000 0.765) 1.531 6.917 ( -0.837 -0.000 -0.157) 0.852 7.116 ( -0.670 -0.000 -0.028) 0.670 ======================= Grid point 43 (25/160) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -0.000 2.295 -0.000) 2.295 0.601 ( 0.000 -0.487 0.000) 0.487 0.809 ( -0.000 7.672 -0.000) 7.672 0.932 ( 0.000 -4.586 0.000) 4.586 0.947 ( 0.000 -2.202 0.000) 2.202 1.079 ( -0.000 5.449 -0.000) 5.449 1.489 ( -0.000 4.459 -0.000) 4.459 1.523 ( 0.000 -0.006 0.000) 0.006 1.597 ( 0.000 -3.296 0.000) 3.296 1.711 ( 0.000 -4.095 0.000) 4.095 1.795 ( -0.000 1.741 -0.000) 1.741 1.937 ( -0.000 0.247 -0.000) 0.247 1.957 ( 0.000 -1.943 0.000) 1.943 2.003 ( 0.000 -0.046 0.000) 0.046 2.110 ( -0.000 0.207 -0.000) 0.207 2.329 ( -0.000 0.146 -0.000) 0.146 2.436 ( -0.000 2.277 -0.000) 2.277 2.491 ( 0.000 -2.086 0.000) 2.086 3.046 ( -0.000 1.472 -0.000) 1.472 3.141 ( 0.000 -1.605 0.000) 1.605 3.249 ( -0.000 3.418 -0.000) 3.418 3.321 ( 0.000 -3.248 0.000) 3.248 5.825 ( -0.000 0.981 -0.000) 0.981 5.882 ( 0.000 -0.670 0.000) 0.670 6.063 ( -0.000 0.719 -0.000) 0.719 6.343 ( 0.000 -0.292 0.000) 0.292 6.390 ( 0.000 -0.579 0.000) 0.579 6.674 ( 0.000 -0.035 0.000) 0.035 6.909 ( 0.000 -0.157 0.000) 0.157 7.109 ( -0.000 0.140 -0.000) 0.140 ======================= Grid point 85 (26/160) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( 6.239 0.000 11.740) 13.295 0.250 ( 5.988 0.000 11.690) 13.135 0.461 ( -16.183 -0.000 21.733) 27.096 0.705 ( -1.649 -0.000 2.500) 2.994 1.035 ( 2.644 0.000 -1.205) 2.906 1.228 ( -4.141 -0.000 2.154) 4.667 1.233 ( 1.280 0.000 -0.318) 1.319 1.506 ( -1.188 -0.000 -1.946) 2.280 1.761 ( 5.874 0.000 2.420) 6.353 1.778 ( -1.042 -0.000 0.255) 1.072 1.864 ( 2.934 0.000 -0.241) 2.944 1.959 ( -1.527 -0.000 -0.901) 1.774 1.959 ( 2.568 0.000 2.171) 3.363 2.041 ( 4.114 0.000 -3.669) 5.513 2.127 ( -2.043 -0.000 -1.393) 2.473 2.313 ( 1.052 0.000 1.558) 1.880 2.438 ( -3.935 -0.000 -1.329) 4.153 2.576 ( 0.263 0.000 -1.382) 1.407 2.922 ( 4.424 0.000 -2.083) 4.889 3.141 ( -4.170 -0.000 3.839) 5.668 3.219 ( -6.961 -0.000 -2.593) 7.429 3.392 ( 6.449 0.000 -0.021) 6.449 5.750 ( 0.276 0.000 -0.352) 0.447 5.893 ( -0.365 -0.000 0.203) 0.418 6.023 ( 0.532 0.000 2.289) 2.349 6.356 ( -2.767 -0.000 -2.474) 3.712 6.468 ( 1.294 0.000 0.981) 1.624 6.657 ( -0.289 -0.000 -1.794) 1.817 6.959 ( -2.839 -0.000 1.559) 3.239 7.080 ( 0.887 0.000 -0.691) 1.124 ======================= Grid point 86 (27/160) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( -0.026 -0.950 11.873) 11.911 0.388 ( 7.577 9.086 11.340) 16.388 0.596 ( 8.656 -10.252 8.089) 15.667 0.737 ( 3.124 -0.666 1.465) 3.514 1.034 ( 0.299 0.988 -1.825) 2.097 1.172 ( -2.223 1.427 0.071) 2.643 1.261 ( 1.315 -0.565 0.920) 1.702 1.477 ( -0.381 -0.398 -3.311) 3.357 1.724 ( -4.796 -0.976 0.370) 4.908 1.808 ( -3.471 0.231 5.080) 6.157 1.832 ( -1.968 1.544 0.084) 2.503 1.978 ( -0.816 1.354 1.570) 2.228 2.009 ( 1.830 -0.527 -1.257) 2.281 2.054 ( -3.057 0.328 -2.409) 3.906 2.094 ( 4.096 -0.575 -1.714) 4.477 2.244 ( -11.185 0.670 -0.475) 11.215 2.407 ( 6.373 -0.755 2.011) 6.726 2.619 ( 2.383 0.541 -0.754) 2.557 3.012 ( -5.121 0.536 -1.863) 5.476 3.024 ( -2.164 -1.111 -0.896) 2.593 3.118 ( 0.548 -0.008 1.456) 1.556 3.534 ( 7.769 0.330 -0.529) 7.794 5.761 ( 0.779 -0.332 0.075) 0.850 5.897 ( 0.838 -0.065 -0.342) 0.908 6.058 ( 1.731 -0.243 3.159) 3.610 6.288 ( -2.651 0.103 -2.494) 3.641 6.482 ( -0.274 0.201 0.235) 0.413 6.633 ( -1.009 0.011 -2.179) 2.401 6.956 ( 0.267 0.163 1.139) 1.181 7.098 ( 1.416 -0.078 -0.303) 1.451 ======================= Grid point 87 (28/160) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 7.179 0.504 6.308) 9.569 0.555 ( 11.399 5.999 4.235) 13.560 0.764 ( 2.370 -0.278 -1.321) 2.727 0.884 ( 9.161 -5.430 0.801) 10.679 1.018 ( 0.571 1.495 -1.424) 2.142 1.153 ( 2.485 1.319 -0.735) 2.908 1.305 ( 1.813 -1.707 2.018) 3.206 1.457 ( -0.198 -1.998 -4.185) 4.642 1.651 ( -4.614 -0.682 0.558) 4.697 1.710 ( -7.682 0.669 2.607) 8.140 1.820 ( -2.085 1.144 2.735) 3.625 1.899 ( -6.632 0.271 1.380) 6.779 1.974 ( -2.834 2.395 -2.262) 4.345 2.031 ( -1.644 -0.402 0.482) 1.760 2.108 ( -2.703 -0.378 -0.131) 2.733 2.146 ( 1.056 -0.378 0.898) 1.437 2.495 ( -0.427 1.245 0.179) 1.328 2.609 ( -2.837 -0.097 0.410) 2.868 2.843 ( -4.287 -0.690 -1.400) 4.562 3.053 ( 0.945 0.244 -0.405) 1.057 3.202 ( 5.638 -1.016 2.044) 6.083 3.625 ( 4.416 0.928 -2.023) 4.945 5.782 ( 1.001 -0.593 0.575) 1.298 5.918 ( 1.892 0.052 -0.760) 2.039 6.125 ( 3.045 -0.192 3.333) 4.519 6.243 ( -0.983 -0.054 -1.360) 1.679 6.459 ( -1.941 0.153 -0.456) 2.000 6.595 ( -1.591 0.044 -2.284) 2.784 6.966 ( 0.222 0.197 0.826) 0.878 7.121 ( 1.226 -0.027 -0.251) 1.252 ======================= Grid point 88 (29/160) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 5.282 1.466 -1.598) 5.710 0.693 ( 5.969 4.161 6.790) 9.952 0.770 ( 4.926 0.898 -4.729) 6.887 1.035 ( 2.400 -3.107 -0.752) 3.997 1.041 ( 6.871 0.511 -3.801) 7.869 1.236 ( 8.325 -0.195 -1.714) 8.502 1.376 ( 2.443 -1.288 2.144) 3.496 1.446 ( -1.210 -4.219 -4.103) 6.008 1.588 ( -3.745 1.495 2.247) 4.616 1.596 ( -4.687 0.729 0.178) 4.747 1.764 ( -3.828 2.142 1.924) 4.790 1.796 ( -5.837 0.362 0.325) 5.857 1.899 ( -3.135 -0.491 1.308) 3.432 2.007 ( -2.592 -0.782 2.228) 3.506 2.106 ( 0.570 0.297 -0.004) 0.643 2.147 ( -2.185 0.128 2.329) 3.197 2.366 ( -8.424 2.069 -2.264) 8.965 2.515 ( -7.527 0.344 0.240) 7.539 2.897 ( 5.982 -0.817 1.995) 6.359 3.062 ( 1.467 0.692 -2.182) 2.719 3.316 ( 4.088 -1.072 3.291) 5.356 3.651 ( 1.625 0.497 -2.584) 3.093 5.810 ( 1.153 -0.476 0.592) 1.380 5.947 ( 2.041 0.110 -0.782) 2.189 6.194 ( 2.463 0.474 2.530) 3.563 6.234 ( 0.334 -0.012 -0.571) 0.662 6.418 ( -2.216 -0.372 -0.110) 2.249 6.554 ( -1.302 -0.054 -1.942) 2.339 6.971 ( -0.083 0.038 0.823) 0.828 7.135 ( 0.675 0.039 -0.424) 0.798 ======================= Grid point 89 (30/160) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -1.195 1.425 -2.114) 2.816 0.802 ( 1.265 1.374 5.917) 6.205 0.878 ( 8.015 -3.150 -2.073) 8.857 1.089 ( 1.804 -0.210 -2.640) 3.205 1.128 ( 7.236 -1.712 -3.157) 8.079 1.329 ( -0.906 1.182 -3.293) 3.614 1.415 ( 6.622 0.342 -0.926) 6.695 1.459 ( 0.640 -3.388 -1.263) 3.672 1.518 ( -3.049 1.436 3.056) 4.549 1.579 ( 1.116 1.171 -1.419) 2.152 1.687 ( -3.139 2.185 0.606) 3.873 1.730 ( -2.102 0.177 1.394) 2.528 1.892 ( -0.774 -2.256 2.304) 3.316 1.965 ( -6.009 0.068 3.142) 6.781 2.066 ( -4.134 1.923 -0.117) 4.560 2.112 ( -2.618 0.134 1.982) 3.286 2.269 ( 1.301 -0.727 -2.095) 2.571 2.391 ( -5.851 0.394 0.458) 5.882 2.989 ( 1.839 1.059 0.562) 2.195 3.068 ( 2.311 0.817 -1.310) 2.780 3.383 ( 0.494 0.194 2.717) 2.768 3.663 ( 1.293 -1.392 -0.908) 2.106 5.828 ( 0.425 0.365 0.045) 0.562 5.970 ( 0.974 -0.148 -0.527) 1.117 6.219 ( -0.223 1.125 0.197) 1.163 6.238 ( 0.566 0.200 -0.186) 0.629 6.402 ( -0.709 -1.028 1.283) 1.790 6.537 ( 0.461 -0.278 -0.855) 1.010 6.974 ( -0.289 -0.180 0.931) 0.991 7.138 ( 0.222 0.076 -0.669) 0.709 ======================= Grid point 90 (31/160) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -3.209 -1.820 -1.746) 4.081 0.820 ( -2.659 -2.818 4.965) 6.298 1.008 ( 3.581 -1.772 1.653) 4.324 1.060 ( -4.017 1.595 -1.157) 4.474 1.219 ( 4.814 1.860 -4.970) 7.165 1.284 ( 0.778 0.687 -0.675) 1.239 1.443 ( -2.939 -0.653 2.985) 4.240 1.484 ( 2.056 1.321 -2.135) 3.245 1.540 ( -1.278 0.262 2.324) 2.665 1.585 ( 6.968 0.375 -4.529) 8.319 1.674 ( 1.201 -1.141 1.549) 2.268 1.697 ( -3.511 0.005 0.282) 3.522 1.826 ( -6.179 1.414 2.109) 6.681 1.946 ( 1.837 0.397 1.822) 2.618 2.018 ( 0.976 1.984 -2.021) 2.995 2.085 ( -2.145 -1.581 1.045) 2.862 2.333 ( 3.512 -1.353 -0.102) 3.765 2.365 ( 4.155 -1.386 -0.009) 4.380 2.946 ( -3.424 2.173 -1.114) 4.206 3.104 ( 1.741 0.553 0.309) 1.852 3.367 ( -2.754 1.353 1.830) 3.572 3.701 ( 0.601 -2.264 0.627) 2.425 5.817 ( -0.739 1.168 -0.432) 1.448 5.973 ( -0.522 -0.452 -0.292) 0.749 6.180 ( -2.382 1.158 -1.199) 2.908 6.245 ( 0.593 0.270 0.424) 0.778 6.423 ( 0.649 -1.236 1.476) 2.032 6.563 ( 2.195 -0.408 0.223) 2.243 6.978 ( -0.400 -0.425 1.181) 1.317 7.133 ( -0.099 0.171 -0.943) 0.963 ======================= Grid point 91 (32/160) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -8.689 -1.868 -0.298) 8.893 0.827 ( -3.933 -0.787 2.586) 4.772 0.906 ( -7.675 4.418 -1.754) 9.027 1.033 ( -1.667 1.329 1.670) 2.708 1.178 ( -8.421 1.448 0.027) 8.544 1.281 ( -0.312 0.589 1.804) 1.923 1.449 ( -0.355 -2.215 2.053) 3.041 1.464 ( -4.232 2.139 2.959) 5.589 1.549 ( 5.335 -1.523 -0.754) 5.599 1.637 ( -1.385 -0.607 -0.397) 1.563 1.680 ( 3.073 2.890 -0.441) 4.241 1.717 ( 4.272 -0.859 -2.052) 4.816 1.844 ( 7.508 -1.210 -0.896) 7.657 1.977 ( 3.371 2.103 -2.532) 4.711 2.023 ( 1.209 0.551 1.155) 1.761 2.078 ( -0.817 -2.857 -1.022) 3.142 2.435 ( 6.044 -1.781 0.091) 6.301 2.479 ( 6.307 -0.310 -1.062) 6.403 2.866 ( -1.922 1.651 0.277) 2.549 3.109 ( -1.726 -0.827 0.461) 1.969 3.308 ( -3.821 1.956 2.331) 4.885 3.704 ( -2.604 -1.367 -0.280) 2.954 5.786 ( -1.060 1.164 -0.416) 1.628 5.957 ( -1.507 -0.326 -0.085) 1.544 6.113 ( -3.245 1.055 -0.998) 3.555 6.268 ( 1.681 0.066 1.394) 2.185 6.455 ( 0.729 -1.272 0.688) 1.620 6.610 ( 2.403 -0.399 0.265) 2.451 6.984 ( -0.466 -0.802 1.549) 1.805 7.119 ( -0.399 0.356 -1.199) 1.313 ======================= Grid point 92 (33/160) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( -7.895 2.214 3.165) 8.789 0.593 ( -11.850 11.665 -4.030) 17.109 0.827 ( -5.762 -2.419 0.884) 6.312 0.933 ( -16.591 2.407 10.433) 19.746 1.006 ( -2.725 0.719 -2.003) 3.458 1.282 ( -1.918 -0.332 2.944) 3.530 1.352 ( -6.994 -0.323 4.028) 8.078 1.554 ( 6.921 0.587 -1.764) 7.166 1.581 ( -2.729 -0.202 1.855) 3.306 1.672 ( 5.452 1.571 -0.602) 5.706 1.716 ( 4.138 -2.459 -1.701) 5.105 1.806 ( 6.465 1.159 -1.897) 6.836 1.961 ( 3.294 -0.435 -4.246) 5.392 2.038 ( 7.953 -0.893 0.130) 8.004 2.063 ( 1.327 -1.294 0.566) 1.938 2.098 ( 3.046 -1.115 -1.147) 3.441 2.481 ( -3.687 1.066 -0.220) 3.845 2.543 ( 4.481 -0.175 -2.723) 5.246 2.929 ( 9.011 0.007 1.986) 9.227 3.066 ( -4.602 -2.036 -0.214) 5.037 3.244 ( -3.784 1.711 3.496) 5.429 3.627 ( -6.177 -0.205 -1.945) 6.479 5.762 ( -0.566 0.713 -0.172) 0.926 5.931 ( -1.610 0.000 0.188) 1.621 6.048 ( -2.852 0.829 0.052) 2.970 6.319 ( 2.717 -0.204 2.082) 3.429 6.469 ( -0.365 -1.013 -0.482) 1.180 6.649 ( 1.658 -0.303 -0.273) 1.707 6.997 ( -0.456 -1.559 1.818) 2.438 7.099 ( -0.465 0.520 -1.274) 1.452 ======================= Grid point 93 (34/160) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.225 ( -1.686 9.078 8.972) 12.874 0.253 ( -11.370 11.600 -2.519) 16.437 0.664 ( -20.488 0.437 17.683) 27.067 0.758 ( -6.348 -0.257 2.899) 6.983 0.974 ( 0.622 0.069 -0.753) 0.979 1.252 ( -1.902 0.954 -0.879) 2.302 1.282 ( -5.285 -1.124 4.165) 6.822 1.542 ( -2.201 0.026 -0.239) 2.214 1.632 ( 3.681 0.672 2.335) 4.411 1.752 ( 5.477 2.516 -0.052) 6.028 1.800 ( 3.555 -2.141 -1.109) 4.296 1.891 ( 5.204 0.935 0.041) 5.288 1.987 ( 3.268 -1.720 -5.146) 6.334 2.045 ( -2.260 0.504 -3.671) 4.340 2.123 ( 1.871 -0.689 0.426) 2.039 2.274 ( 12.637 -1.818 2.858) 13.083 2.370 ( -6.318 1.039 0.275) 6.409 2.583 ( 1.751 -0.079 -0.934) 1.986 2.988 ( -4.887 -1.746 -4.491) 6.863 3.128 ( 10.932 -0.151 1.537) 11.040 3.195 ( -4.115 0.356 4.126) 5.838 3.481 ( -8.190 0.947 -3.225) 8.853 5.753 ( -0.069 0.121 -0.088) 0.165 5.907 ( -1.141 0.344 0.253) 1.218 6.009 ( -1.291 0.475 1.749) 2.225 6.376 ( 1.657 -0.274 1.032) 1.971 6.455 ( -0.870 -0.408 -0.862) 1.291 6.666 ( 0.518 -0.222 -1.061) 1.202 7.012 ( -1.668 -2.601 0.080) 3.091 7.081 ( -0.067 0.475 -1.188) 1.282 ======================= Grid point 95 (35/160) ======================= q-point: ( 0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 8.500 0.000 4.073) 9.425 0.641 ( 8.241 0.000 4.365) 9.326 0.769 ( 10.889 0.000 3.816) 11.538 0.801 ( 3.835 0.000 -0.193) 3.840 1.037 ( 1.485 0.000 -1.955) 2.455 1.166 ( 1.671 0.000 -1.062) 1.980 1.289 ( 1.487 0.000 2.209) 2.663 1.435 ( -1.251 -0.000 -5.124) 5.274 1.645 ( -3.674 -0.000 1.174) 3.857 1.714 ( -8.417 -0.000 3.244) 9.021 1.832 ( -1.592 -0.000 2.392) 2.874 1.902 ( -7.093 -0.000 0.968) 7.159 2.012 ( -1.584 -0.000 0.437) 1.643 2.013 ( -4.183 -0.000 -2.506) 4.876 2.105 ( -1.931 -0.000 -0.469) 1.987 2.140 ( 1.338 0.000 1.224) 1.813 2.505 ( 0.996 0.000 1.130) 1.507 2.610 ( -3.400 -0.000 -0.272) 3.411 2.836 ( -4.798 -0.000 -1.465) 5.017 3.054 ( 1.112 0.000 -0.253) 1.140 3.194 ( 5.576 0.000 2.096) 5.957 3.633 ( 4.342 0.000 -2.118) 4.831 5.777 ( 1.005 0.000 0.691) 1.220 5.918 ( 1.960 0.000 -0.782) 2.110 6.123 ( 3.172 0.000 3.637) 4.826 6.242 ( -1.042 -0.000 -1.385) 1.733 6.460 ( -1.988 -0.000 -0.732) 2.118 6.596 ( -1.572 -0.000 -2.377) 2.850 6.968 ( 0.191 0.000 0.687) 0.713 7.120 ( 1.240 0.000 -0.168) 1.252 ======================= Grid point 96 (36/160) ======================= q-point: ( 0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 9.702 0.739 -2.737) 10.107 0.736 ( 1.224 0.780 0.672) 1.599 0.834 ( 4.384 6.093 0.444) 7.519 0.941 ( 3.609 -6.085 0.093) 7.075 1.091 ( 8.143 2.961 -3.977) 9.533 1.217 ( 4.626 -1.697 -2.479) 5.516 1.355 ( 3.452 -0.863 3.503) 4.993 1.383 ( -1.186 -2.326 -4.091) 4.853 1.596 ( -7.179 0.030 3.223) 7.870 1.614 ( -0.456 0.802 -0.084) 0.926 1.792 ( -4.500 0.876 1.511) 4.827 1.800 ( -4.534 0.149 0.925) 4.630 1.898 ( -5.809 0.193 1.159) 5.926 1.995 ( -1.797 -0.484 1.882) 2.647 2.111 ( 1.160 0.198 -0.694) 1.366 2.148 ( -2.122 -0.019 2.941) 3.627 2.394 ( -9.499 1.059 -2.423) 9.860 2.515 ( -7.021 -0.130 -0.244) 7.027 2.887 ( 6.711 -0.322 2.986) 7.352 3.068 ( 1.246 0.120 -1.688) 2.102 3.305 ( 4.689 -0.260 3.544) 5.883 3.657 ( 0.989 0.154 -3.472) 3.613 5.804 ( 1.365 -0.197 1.025) 1.718 5.948 ( 2.102 0.059 -1.016) 2.335 6.200 ( 2.717 0.206 3.347) 4.316 6.233 ( 0.415 -0.035 -0.386) 0.568 6.414 ( -2.429 -0.133 -0.892) 2.591 6.554 ( -1.351 -0.026 -2.162) 2.549 6.972 ( -0.170 0.018 0.648) 0.671 7.135 ( 0.663 0.015 -0.326) 0.739 ======================= Grid point 97 (37/160) ======================= q-point: ( 0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -1.451 4.312 -1.705) 4.858 0.795 ( 0.492 -2.327 -4.024) 4.674 0.857 ( 4.231 0.689 4.074) 5.914 1.065 ( 6.123 -1.812 -2.487) 6.853 1.140 ( 4.857 2.319 -3.873) 6.631 1.300 ( 2.689 -4.221 -4.401) 6.664 1.412 ( 5.307 -0.445 -0.318) 5.335 1.429 ( 1.242 -0.114 1.548) 1.988 1.523 ( -4.074 -0.240 4.043) 5.745 1.605 ( 1.069 1.430 -2.234) 2.860 1.725 ( -3.776 1.835 0.923) 4.299 1.733 ( -2.651 0.105 1.297) 2.953 1.861 ( -0.100 -1.308 2.180) 2.545 1.966 ( -5.072 -0.033 3.312) 6.058 2.097 ( -2.379 1.662 -0.058) 2.902 2.117 ( -2.557 0.320 2.093) 3.320 2.257 ( -1.564 -0.585 -2.481) 2.991 2.391 ( -6.635 -0.231 -0.239) 6.643 3.009 ( 3.568 1.095 2.299) 4.384 3.073 ( 1.160 -0.132 -1.171) 1.654 3.390 ( 2.073 0.570 3.711) 4.288 3.641 ( -0.021 -1.125 -2.799) 3.017 5.833 ( 1.060 0.212 0.814) 1.353 5.968 ( 0.763 -0.073 -1.015) 1.272 6.236 ( -0.152 0.803 0.504) 0.960 6.241 ( 0.569 0.243 0.669) 0.911 6.386 ( -0.828 -0.833 0.377) 1.233 6.533 ( 0.393 -0.184 -1.079) 1.162 6.972 ( -0.391 -0.113 0.742) 0.846 7.139 ( 0.221 0.046 -0.583) 0.626 ======================= Grid point 98 (38/160) ======================= q-point: (-0.56 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -2.086 3.987 -0.097) 4.501 0.776 ( -2.420 -2.191 3.506) 4.790 0.965 ( 3.745 -2.801 -0.297) 4.686 1.078 ( -1.522 0.183 -0.743) 1.703 1.238 ( 7.290 0.478 -4.453) 8.556 1.297 ( -2.188 0.576 1.281) 2.600 1.433 ( -0.963 -0.195 1.116) 1.487 1.499 ( 1.620 0.250 0.689) 1.778 1.537 ( 2.145 -0.771 1.840) 2.930 1.585 ( 1.551 0.069 -4.088) 4.373 1.666 ( -2.490 0.179 1.498) 2.912 1.700 ( -2.163 0.153 0.135) 2.173 1.859 ( -3.686 2.093 1.333) 4.443 1.944 ( 4.317 -0.614 0.650) 4.409 2.049 ( -0.787 1.829 -1.653) 2.588 2.074 ( -3.496 0.122 1.988) 4.023 2.309 ( 4.754 -1.562 -0.834) 5.074 2.335 ( 1.543 -1.888 0.440) 2.478 2.988 ( -2.793 2.660 -0.808) 3.941 3.103 ( 0.241 -0.838 0.322) 0.929 3.402 ( -1.172 2.689 2.571) 3.901 3.656 ( 0.440 -2.932 -0.061) 2.965 5.838 ( -0.204 1.289 0.081) 1.308 5.964 ( -0.772 -0.675 -0.715) 1.250 6.202 ( -2.394 1.359 -0.696) 2.839 6.249 ( 0.419 0.128 0.456) 0.633 6.400 ( 0.605 -1.298 0.953) 1.720 6.557 ( 2.163 -0.335 0.178) 2.196 6.971 ( -0.560 -0.336 0.971) 1.170 7.135 ( -0.022 0.127 -0.831) 0.841 ======================= Grid point 99 (39/160) ======================= q-point: (-0.44 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -3.154 5.904 3.611) 7.606 0.790 ( -1.347 -2.095 2.055) 3.229 0.960 ( -7.442 1.041 3.598) 8.332 1.053 ( -0.183 0.777 -0.940) 1.233 1.201 ( -7.071 1.033 1.720) 7.350 1.307 ( 0.177 2.392 0.135) 2.402 1.419 ( -5.409 -0.869 3.228) 6.359 1.488 ( -0.884 -0.509 1.654) 1.943 1.534 ( 4.486 1.001 -2.552) 5.257 1.625 ( -0.828 -0.689 -0.044) 1.079 1.691 ( 5.462 -2.063 -2.638) 6.407 1.720 ( 3.995 1.111 0.984) 4.262 1.845 ( 4.964 1.471 -1.837) 5.493 2.006 ( 2.817 0.924 -2.055) 3.607 2.027 ( -1.377 -2.604 -1.485) 3.299 2.031 ( -0.715 0.336 0.854) 1.163 2.406 ( 6.175 -1.568 1.129) 6.470 2.467 ( 8.272 -1.114 -0.828) 8.387 2.900 ( -3.070 2.368 -0.358) 3.894 3.085 ( -3.331 -1.967 -0.578) 3.911 3.357 ( -2.639 3.800 2.767) 5.390 3.671 ( -2.169 -2.510 0.222) 3.325 5.811 ( -0.968 1.745 -0.391) 2.034 5.948 ( -1.413 -0.841 -0.303) 1.672 6.135 ( -3.190 1.464 -0.795) 3.599 6.268 ( 1.397 -0.017 1.278) 1.893 6.429 ( 0.647 -1.582 0.304) 1.736 6.603 ( 2.414 -0.392 0.350) 2.471 6.971 ( -0.809 -0.685 1.315) 1.689 7.125 ( -0.282 0.301 -1.040) 1.119 ======================= Grid point 100 (40/160) ======================= q-point: (-0.33 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -0.289 9.924 7.549) 12.472 0.743 ( -8.326 3.165 1.822) 9.092 0.807 ( -6.556 2.392 0.146) 6.980 0.994 ( -13.473 5.082 5.530) 15.425 1.019 ( -4.377 0.648 -0.593) 4.464 1.270 ( -4.539 -1.294 5.379) 7.156 1.349 ( -4.163 0.442 1.762) 4.542 1.563 ( 6.759 -0.316 -1.025) 6.844 1.575 ( -1.381 -0.348 1.342) 1.957 1.651 ( 6.026 -1.720 -4.325) 7.614 1.734 ( 2.216 2.331 0.217) 3.223 1.812 ( 6.946 -0.197 -2.476) 7.376 1.949 ( 2.282 -1.172 -1.191) 2.828 2.013 ( 4.629 -1.750 -0.581) 4.983 2.039 ( 1.587 -1.529 -2.542) 3.364 2.079 ( 4.396 -1.002 0.443) 4.530 2.497 ( -0.181 0.509 0.405) 0.675 2.548 ( 3.454 1.083 -2.217) 4.244 2.922 ( 7.302 -0.848 1.539) 7.510 3.026 ( -4.642 -2.452 -1.262) 5.399 3.290 ( -3.900 3.543 3.405) 6.273 3.616 ( -5.800 -1.271 -1.241) 6.066 5.780 ( -0.642 1.448 -0.400) 1.634 5.928 ( -1.352 -0.480 -0.058) 1.436 6.068 ( -2.726 1.443 0.065) 3.085 6.314 ( 2.378 -0.368 1.955) 3.100 6.446 ( -0.296 -1.640 -0.633) 1.783 6.643 ( 1.755 -0.305 -0.219) 1.795 6.972 ( -1.174 -1.253 1.603) 2.349 7.108 ( -0.464 0.464 -1.122) 1.300 ======================= Grid point 101 (41/160) ======================= q-point: (-0.22 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( -1.044 11.589 5.567) 12.899 0.501 ( -6.614 13.974 -0.195) 15.462 0.686 ( -13.437 2.732 10.560) 17.307 0.756 ( -10.165 0.668 7.322) 12.545 0.975 ( -0.692 -0.067 -0.773) 1.040 1.242 ( -5.091 -3.239 4.421) 7.480 1.287 ( -1.833 2.834 -0.925) 3.500 1.543 ( -2.132 0.003 -0.056) 2.133 1.656 ( 3.885 1.850 0.325) 4.315 1.744 ( 4.360 -3.582 -1.960) 5.974 1.791 ( 6.066 0.939 -0.375) 6.150 1.905 ( 4.810 0.302 -0.366) 4.833 1.955 ( 1.554 -1.507 -3.343) 3.983 2.046 ( 0.138 -0.465 -3.178) 3.215 2.100 ( 2.010 -1.910 0.692) 2.858 2.238 ( 10.090 -1.989 2.386) 10.558 2.401 ( -6.151 2.438 -0.111) 6.617 2.581 ( 0.723 -0.195 -0.825) 1.114 2.959 ( -3.156 -1.295 -2.953) 4.512 3.116 ( 10.425 -1.403 1.081) 10.574 3.214 ( -4.512 2.059 3.786) 6.239 3.489 ( -7.520 -0.236 -2.983) 8.093 5.762 ( -0.064 0.935 -0.345) 0.999 5.911 ( -0.837 -0.082 -0.168) 0.858 6.025 ( -1.374 1.256 1.546) 2.420 6.368 ( 1.356 -0.753 0.796) 1.743 6.442 ( -0.537 -1.115 -0.519) 1.342 6.662 ( 0.685 -0.135 -1.030) 1.244 6.970 ( -1.993 -1.837 1.555) 3.125 7.089 ( -0.264 0.466 -1.050) 1.179 ======================= Grid point 102 (42/160) ======================= q-point: (-0.11 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.195 ( -3.505 8.046 3.001) 9.275 0.418 ( -7.587 6.033 13.947) 16.985 0.536 ( -2.313 10.113 14.798) 18.072 0.711 ( -1.374 0.196 3.076) 3.374 1.009 ( 2.351 -2.390 0.128) 3.355 1.205 ( -4.195 -2.430 1.858) 5.191 1.245 ( 0.475 1.641 -0.225) 1.723 1.507 ( -1.153 0.173 -1.751) 2.103 1.721 ( 3.199 -0.619 4.350) 5.435 1.808 ( 1.359 -1.068 -2.243) 2.832 1.857 ( 0.569 -0.495 -1.464) 1.647 1.954 ( -0.266 -0.508 -0.867) 1.039 1.977 ( 3.422 1.322 1.713) 4.049 2.045 ( 3.387 0.303 -3.374) 4.790 2.119 ( -1.926 -0.907 -1.052) 2.374 2.321 ( -0.116 0.833 1.079) 1.368 2.394 ( -1.467 -3.250 2.070) 4.123 2.568 ( 0.422 -0.853 -1.363) 1.662 2.936 ( 4.339 1.559 -1.779) 4.942 3.142 ( -4.277 0.388 3.290) 5.410 3.215 ( -5.775 -0.538 -2.245) 6.219 3.405 ( 4.937 0.441 -1.636) 5.220 5.755 ( 0.390 0.662 -0.358) 0.848 5.897 ( -0.370 0.234 -0.305) 0.534 6.025 ( 0.434 0.459 2.589) 2.665 6.351 ( -2.618 -0.597 -2.430) 3.621 6.464 ( 1.258 -0.481 1.157) 1.775 6.657 ( -0.213 0.014 -1.751) 1.764 6.953 ( -1.823 -0.588 1.773) 2.610 7.083 ( 0.745 0.305 -0.706) 1.071 ======================= Grid point 105 (43/160) ======================= q-point: ( 0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -2.696 -0.000 -0.627) 2.768 0.763 ( 4.247 0.000 -6.858) 8.067 0.866 ( -0.801 -0.000 4.038) 4.117 1.047 ( 9.109 0.000 -2.410) 9.422 1.177 ( -1.485 -0.000 -4.334) 4.581 1.242 ( 8.674 0.000 -3.818) 9.477 1.407 ( 5.113 0.000 -0.205) 5.117 1.431 ( 1.685 0.000 2.416) 2.946 1.520 ( -4.446 -0.000 4.267) 6.162 1.618 ( 0.595 0.000 -2.433) 2.504 1.733 ( -2.924 -0.000 1.333) 3.214 1.741 ( -4.189 -0.000 1.068) 4.323 1.850 ( 0.545 0.000 1.840) 1.919 1.965 ( -4.757 -0.000 3.369) 5.830 2.115 ( -3.363 -0.000 2.904) 4.444 2.119 ( -0.110 -0.000 -0.787) 0.795 2.251 ( -3.483 -0.000 -2.556) 4.320 2.388 ( -6.870 -0.000 -0.538) 6.891 3.020 ( 4.902 0.000 3.478) 6.010 3.070 ( 0.033 0.000 -1.564) 1.565 3.396 ( 2.885 0.000 4.265) 5.149 3.630 ( -0.701 -0.000 -3.737) 3.802 5.835 ( 1.327 0.000 1.168) 1.768 5.967 ( 0.666 0.000 -1.274) 1.437 6.241 ( 0.557 0.000 -0.408) 0.690 6.246 ( -0.098 -0.000 2.232) 2.234 6.378 ( -0.895 -0.000 -0.159) 0.909 6.531 ( 0.371 0.000 -1.162) 1.220 6.971 ( -0.430 -0.000 0.668) 0.794 7.139 ( 0.219 0.000 -0.551) 0.593 ======================= Grid point 106 (44/160) ======================= q-point: (-0.67 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -0.496 3.554 0.685) 3.653 0.749 ( -2.068 -0.916 3.081) 3.822 0.923 ( 4.399 -1.718 -2.843) 5.512 1.070 ( -2.802 -0.634 -0.393) 2.900 1.239 ( 8.882 -0.177 -3.323) 9.485 1.305 ( -2.380 0.353 1.835) 3.026 1.434 ( -0.953 0.180 0.757) 1.230 1.498 ( 3.456 -0.208 1.830) 3.916 1.522 ( 3.526 -0.594 1.502) 3.878 1.587 ( -2.286 0.096 -2.461) 3.361 1.673 ( -3.852 0.406 0.729) 3.941 1.701 ( -1.682 0.005 -0.022) 1.682 1.886 ( -3.160 0.855 1.264) 3.509 1.933 ( 5.922 -0.410 -0.882) 6.001 2.078 ( -2.531 1.108 -0.875) 2.898 2.079 ( -3.787 0.403 2.018) 4.310 2.281 ( 6.856 -1.314 -1.361) 7.113 2.313 ( -0.781 -0.608 0.836) 1.295 3.033 ( -2.017 2.464 -0.742) 3.269 3.078 ( -1.120 -1.869 0.441) 2.223 3.447 ( 0.297 1.951 4.082) 4.534 3.611 ( -0.061 -1.921 -1.474) 2.422 5.856 ( 0.378 0.646 0.793) 1.090 5.953 ( -1.160 -0.407 -1.411) 1.871 6.222 ( -2.699 0.836 0.259) 2.838 6.248 ( 0.492 -0.157 -0.075) 0.522 6.383 ( 0.667 -0.598 0.597) 1.077 6.553 ( 2.156 -0.128 0.141) 2.164 6.967 ( -0.639 -0.125 0.847) 1.068 7.137 ( 0.018 0.045 -0.770) 0.772 ======================= Grid point 107 (45/160) ======================= q-point: (-0.56 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.149 7.098 3.970) 8.134 0.765 ( -1.143 -1.144 3.542) 3.894 0.960 ( -2.246 -0.367 1.646) 2.809 1.044 ( -1.278 -1.799 0.823) 2.355 1.211 ( -8.593 0.313 4.501) 9.706 1.346 ( 5.299 1.773 -2.209) 6.009 1.425 ( -4.922 1.297 1.883) 5.427 1.466 ( -3.756 -1.228 2.198) 4.522 1.561 ( 1.680 1.278 -0.466) 2.162 1.619 ( 1.104 0.106 -0.206) 1.128 1.652 ( 4.740 -2.210 -1.932) 5.575 1.720 ( 5.115 -0.630 -0.085) 5.154 1.881 ( 3.428 2.211 -2.637) 4.858 1.974 ( -0.939 -2.285 -3.296) 4.119 2.031 ( 0.640 0.798 0.031) 1.023 2.035 ( -2.121 0.225 -0.190) 2.142 2.385 ( 6.175 -0.867 2.146) 6.595 2.445 ( 10.333 -1.201 -0.729) 10.428 2.945 ( -4.118 2.880 -0.967) 5.117 3.045 ( -4.055 -2.682 -1.237) 5.017 3.428 ( -2.014 4.200 3.427) 5.782 3.622 ( -1.832 -3.197 0.271) 3.694 5.843 ( -0.807 1.815 -0.077) 1.988 5.929 ( -1.433 -1.253 -0.832) 2.077 6.159 ( -3.297 1.231 -0.359) 3.538 6.267 ( 1.295 -0.167 0.865) 1.566 6.405 ( 0.577 -1.120 0.125) 1.267 6.598 ( 2.439 -0.238 0.412) 2.485 6.962 ( -0.962 -0.369 1.170) 1.559 7.129 ( -0.209 0.164 -0.942) 0.978 ======================= Grid point 108 (46/160) ======================= q-point: (-0.44 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 1.492 8.433 6.187) 10.565 0.743 ( -4.689 -0.339 2.664) 5.404 0.873 ( -8.627 3.608 6.850) 11.592 1.023 ( -3.310 -0.044 -0.530) 3.353 1.082 ( -8.482 3.190 2.148) 9.313 1.250 ( -10.569 0.126 5.145) 11.756 1.377 ( 1.030 2.926 0.234) 3.111 1.533 ( 5.097 -2.466 -0.400) 5.676 1.568 ( -0.861 -0.553 0.564) 1.168 1.643 ( 4.744 -0.173 -3.257) 5.757 1.751 ( 4.320 -0.326 -0.944) 4.434 1.817 ( 4.908 1.068 -1.987) 5.402 1.916 ( 2.398 -2.603 -0.112) 3.541 1.987 ( 1.751 -1.152 -0.885) 2.276 2.020 ( 2.990 -0.452 -3.721) 4.795 2.064 ( 3.914 -0.843 0.082) 4.005 2.498 ( 3.024 -0.184 1.518) 3.389 2.575 ( 3.707 1.708 -2.020) 4.554 2.904 ( 3.234 -1.075 0.725) 3.484 2.988 ( -2.880 -1.958 -1.942) 3.988 3.359 ( -4.099 4.491 3.181) 6.862 3.583 ( -5.588 -2.538 -0.483) 6.156 5.809 ( -0.745 1.928 -0.457) 2.117 5.914 ( -1.142 -1.156 -0.398) 1.673 6.094 ( -2.648 1.515 0.085) 3.052 6.307 ( 2.076 -0.436 1.584) 2.648 6.418 ( -0.245 -1.506 -0.585) 1.634 6.639 ( 1.886 -0.223 -0.090) 1.902 6.956 ( -1.341 -0.701 1.499) 2.131 7.114 ( -0.448 0.324 -1.037) 1.175 ======================= Grid point 109 (47/160) ======================= q-point: (-0.33 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -1.891 8.673 4.805) 10.094 0.641 ( -8.348 3.356 6.167) 10.908 0.747 ( -6.537 3.038 7.261) 10.232 0.850 ( -9.312 10.701 2.298) 14.370 0.973 ( -2.186 0.139 -0.803) 2.333 1.172 ( -6.085 -4.791 4.344) 8.880 1.349 ( -0.399 4.362 -0.711) 4.437 1.543 ( -1.994 0.010 0.234) 2.008 1.653 ( 5.461 -3.397 -1.375) 6.577 1.712 ( 3.685 0.546 -1.403) 3.981 1.787 ( 2.305 -0.984 -0.326) 2.528 1.892 ( 4.811 -1.506 -2.066) 5.448 1.949 ( 1.823 0.563 -0.669) 2.022 2.028 ( 1.417 -1.981 -1.845) 3.056 2.069 ( 2.574 -1.170 -0.017) 2.827 2.209 ( 9.725 -1.621 0.822) 9.893 2.446 ( -5.946 2.816 -0.435) 6.594 2.576 ( -1.195 -0.487 -0.700) 1.468 2.947 ( 0.671 -0.108 -2.058) 2.167 3.082 ( 10.069 -2.487 0.784) 10.401 3.261 ( -5.480 3.325 2.828) 7.006 3.473 ( -7.807 -1.598 -2.031) 8.224 5.784 ( -0.115 1.577 -0.492) 1.656 5.904 ( -0.647 -0.707 -0.381) 1.031 6.049 ( -1.371 1.586 1.229) 2.430 6.352 ( 0.920 -1.016 0.160) 1.380 6.421 ( -0.052 -1.239 0.256) 1.266 6.661 ( 0.870 -0.053 -0.900) 1.253 6.948 ( -1.554 -0.917 1.699) 2.479 7.097 ( -0.292 0.431 -0.994) 1.122 ======================= Grid point 110 (48/160) ======================= q-point: (-0.22 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -7.312 12.575 -1.699) 14.645 0.499 ( -12.180 5.303 13.867) 19.203 0.701 ( -0.936 -0.066 4.262) 4.364 0.739 ( 2.471 11.001 6.390) 12.960 0.970 ( 1.258 -1.945 -0.063) 2.317 1.147 ( -4.166 -4.335 1.901) 6.306 1.295 ( -0.101 4.194 -0.958) 4.303 1.510 ( -1.117 0.191 -1.304) 1.727 1.733 ( 2.866 0.620 2.204) 3.668 1.758 ( 1.231 -3.184 -0.454) 3.444 1.834 ( 0.145 -2.563 -2.437) 3.540 1.945 ( 1.081 -0.494 -0.698) 1.379 1.989 ( 2.564 0.071 1.734) 3.096 2.047 ( 2.122 -0.308 -2.548) 3.331 2.102 ( -0.728 -0.754 -0.131) 1.056 2.324 ( -3.584 -0.842 -0.112) 3.683 2.371 ( 3.144 0.865 2.045) 3.849 2.548 ( 0.146 -1.584 -1.293) 2.050 2.972 ( 4.709 2.627 -0.757) 5.445 3.157 ( -4.839 1.432 1.841) 5.372 3.199 ( -4.273 -1.318 -1.391) 4.683 3.394 ( 3.467 -1.556 -1.810) 4.209 5.772 ( 0.422 1.234 -0.402) 1.365 5.897 ( -0.180 -0.194 -0.555) 0.614 6.040 ( 0.260 1.198 2.352) 2.652 6.337 ( -2.217 -1.003 -2.355) 3.386 6.452 ( 1.198 -0.783 1.659) 2.191 6.657 ( -0.226 0.055 -1.644) 1.661 6.943 ( -0.981 -0.585 1.781) 2.116 7.089 ( 0.587 0.399 -0.760) 1.040 ======================= Grid point 111 (49/160) ======================= q-point: (-0.11 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 5.022 0.792 7.071) 8.709 0.403 ( -2.734 3.671 11.401) 12.285 0.739 ( 1.800 2.236 2.147) 3.584 0.770 ( 7.532 6.676 2.767) 10.439 1.009 ( 0.645 -1.614 -0.711) 1.878 1.131 ( -1.753 -3.244 0.100) 3.689 1.283 ( 1.539 2.208 0.925) 2.846 1.486 ( -0.057 0.534 -2.445) 2.503 1.748 ( -3.486 1.361 -0.860) 3.839 1.780 ( -3.694 -3.742 0.844) 5.325 1.809 ( -0.543 -0.029 4.232) 4.267 1.957 ( 0.267 -0.905 -1.207) 1.532 2.009 ( -3.344 -0.405 1.723) 3.784 2.041 ( -1.517 -1.278 -1.340) 2.393 2.106 ( 3.689 0.652 -1.449) 4.017 2.227 ( -8.788 -1.123 -0.083) 8.860 2.427 ( 5.242 1.335 0.980) 5.498 2.605 ( 2.823 -0.980 -0.428) 3.019 3.002 ( -7.137 -0.681 -1.661) 7.360 3.049 ( -1.921 1.455 0.108) 2.413 3.124 ( 1.899 1.068 0.398) 2.215 3.520 ( 7.460 -1.445 -0.952) 7.658 5.771 ( 0.766 0.923 -0.002) 1.199 5.898 ( 0.775 0.031 -0.537) 0.943 6.066 ( 1.736 0.715 2.902) 3.457 6.284 ( -2.354 -0.313 -2.332) 3.328 6.475 ( -0.283 -0.511 0.654) 0.877 6.633 ( -1.112 -0.022 -2.081) 2.360 6.951 ( 0.203 -0.368 1.348) 1.412 7.100 ( 1.337 0.181 -0.442) 1.420 ======================= Grid point 115 (50/160) ======================= q-point: (-0.67 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 1.649 0.000 0.314) 1.679 0.746 ( -2.276 -0.000 8.145) 8.457 0.959 ( 2.606 0.000 -3.241) 4.158 1.019 ( -3.912 -0.000 4.856) 6.236 1.214 ( -9.625 -0.000 5.332) 11.003 1.362 ( 7.108 0.000 -2.559) 7.554 1.438 ( 1.529 0.000 0.372) 1.574 1.458 ( -9.626 -0.000 2.819) 10.030 1.570 ( 0.374 0.000 1.340) 1.391 1.621 ( -2.000 -0.000 0.225) 2.013 1.633 ( 7.670 0.000 -1.956) 7.915 1.712 ( 4.901 0.000 -1.190) 5.043 1.904 ( 4.876 0.000 -2.941) 5.695 1.952 ( -2.736 -0.000 -3.908) 4.771 2.035 ( -3.286 -0.000 1.796) 3.745 2.040 ( 0.789 0.000 -1.751) 1.920 2.377 ( 6.151 0.000 2.612) 6.682 2.434 ( 11.273 0.000 -0.763) 11.299 2.991 ( -6.212 -0.000 -1.200) 6.326 3.001 ( -2.511 -0.000 -1.463) 2.906 3.475 ( -1.881 -0.000 4.484) 4.862 3.584 ( -1.669 -0.000 -0.527) 1.750 5.862 ( -0.578 -0.000 0.515) 0.775 5.914 ( -1.611 -0.000 -1.522) 2.216 6.170 ( -3.460 -0.000 -0.025) 3.460 6.264 ( 1.381 0.000 0.484) 1.464 6.395 ( 0.543 0.000 0.140) 0.561 6.595 ( 2.451 0.000 0.429) 2.488 6.959 ( -1.000 -0.000 1.122) 1.503 7.130 ( -0.183 -0.000 -0.908) 0.926 ======================= Grid point 117 (51/160) ======================= q-point: (-0.56 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -0.342 2.338 1.104) 2.608 0.749 ( -4.538 0.810 8.348) 9.536 0.934 ( -3.918 3.530 3.621) 6.397 1.010 ( -2.627 -1.798 2.880) 4.293 1.083 ( -8.653 -1.202 4.248) 9.715 1.280 ( -11.493 1.747 3.388) 12.108 1.441 ( 4.544 3.646 -2.534) 6.353 1.499 ( 4.032 -1.328 -0.390) 4.262 1.562 ( -1.472 0.032 1.361) 2.005 1.614 ( 1.443 -2.830 -0.334) 3.194 1.751 ( 7.012 0.487 -2.017) 7.313 1.832 ( 6.606 0.366 -0.561) 6.640 1.876 ( -1.055 -1.457 -2.657) 3.209 1.975 ( 1.420 -0.376 -1.152) 1.867 2.021 ( 4.518 0.308 -2.041) 4.967 2.051 ( 2.178 -0.577 -1.499) 2.706 2.496 ( 3.961 -0.092 2.352) 4.608 2.597 ( 5.817 0.692 -1.868) 6.149 2.891 ( -1.172 -0.347 -0.335) 1.268 2.963 ( -0.654 -0.853 -1.925) 2.205 3.432 ( -4.280 3.536 3.325) 6.471 3.535 ( -5.476 -2.780 -0.330) 6.150 5.841 ( -0.946 1.595 -0.190) 1.864 5.891 ( -0.884 -1.308 -0.891) 1.813 6.114 ( -2.680 0.702 0.173) 2.776 6.300 ( 1.994 -0.245 1.024) 2.255 6.400 ( -0.255 -0.602 -0.286) 0.714 6.636 ( 1.963 -0.086 -0.004) 1.965 6.948 ( -1.363 -0.225 1.454) 2.005 7.118 ( -0.419 0.118 -0.991) 1.083 ======================= Grid point 118 (52/160) ======================= q-point: (-0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -4.527 1.200 4.127) 6.242 0.682 ( -6.388 2.674 8.852) 11.239 0.829 ( -7.210 6.571 6.999) 12.006 0.952 ( -2.709 0.530 -1.221) 3.018 1.022 ( -3.242 2.025 0.413) 3.845 1.103 ( -8.520 -0.263 2.919) 9.010 1.431 ( 0.895 5.135 -1.129) 5.333 1.543 ( -1.636 0.052 0.641) 1.758 1.585 ( 3.667 -4.104 -1.032) 5.600 1.694 ( 4.221 -2.910 -1.719) 5.408 1.791 ( -0.566 1.485 0.430) 1.646 1.870 ( 5.400 -0.870 -2.831) 6.159 1.959 ( 2.686 0.385 -0.472) 2.755 1.982 ( 1.383 -2.808 0.653) 3.197 2.067 ( 3.068 0.576 -1.329) 3.393 2.182 ( 10.418 -1.395 -0.808) 10.542 2.491 ( -4.965 2.399 -0.232) 5.519 2.563 ( -4.088 -0.989 -1.164) 4.364 2.957 ( 4.701 1.302 -1.074) 4.995 3.036 ( 9.264 -2.880 0.364) 9.708 3.322 ( -6.496 3.733 1.687) 7.680 3.437 ( -7.906 -2.685 -0.946) 8.403 5.812 ( -0.362 1.708 -0.497) 1.815 5.887 ( -0.309 -1.168 -0.555) 1.329 6.074 ( -1.363 1.195 0.956) 2.049 6.336 ( 0.635 -0.844 -0.743) 1.292 6.403 ( 0.293 -0.747 1.271) 1.503 6.660 ( 0.969 -0.039 -0.748) 1.225 6.937 ( -1.355 -0.420 1.686) 2.203 7.103 ( -0.280 0.261 -0.985) 1.057 ======================= Grid point 119 (53/160) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -10.442 4.889 11.267) 16.121 0.641 ( -5.018 10.103 0.075) 11.281 0.687 ( -3.399 -0.437 5.434) 6.424 0.918 ( 1.187 8.990 0.621) 9.089 0.945 ( 0.251 -0.884 -0.617) 1.107 1.061 ( -3.788 -5.753 1.701) 7.096 1.381 ( -0.058 5.775 -1.183) 5.895 1.515 ( -1.104 0.439 -0.733) 1.396 1.665 ( 1.364 -5.324 -0.715) 5.542 1.757 ( 1.385 -3.769 -3.152) 5.105 1.791 ( 0.880 1.314 2.906) 3.309 1.939 ( 2.368 -0.210 -0.299) 2.396 1.983 ( 1.137 -0.803 0.577) 1.507 2.029 ( 0.481 -1.529 -0.298) 1.630 2.102 ( 1.363 0.617 0.137) 1.503 2.308 ( -2.131 -0.823 -1.668) 2.828 2.400 ( 2.537 2.124 0.838) 3.413 2.516 ( -0.220 -2.079 -1.143) 2.383 3.020 ( 4.467 2.861 0.542) 5.332 3.171 ( -4.086 -1.790 -0.592) 4.500 3.191 ( -3.053 2.411 0.337) 3.905 3.357 ( 1.688 -2.785 -1.647) 3.649 5.795 ( 0.291 1.468 -0.498) 1.577 5.890 ( 0.130 -0.631 -0.538) 0.840 6.062 ( 0.127 1.294 1.857) 2.267 6.319 ( -1.718 -1.012 -2.353) 3.084 6.439 ( 1.101 -0.689 2.298) 2.640 6.658 ( -0.296 0.037 -1.484) 1.514 6.934 ( -0.670 -0.432 1.762) 1.934 7.096 ( 0.478 0.316 -0.848) 1.023 ======================= Grid point 120 (54/160) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( -3.387 8.904 3.024) 9.995 0.485 ( -2.405 6.393 6.050) 9.124 0.740 ( 2.806 -0.856 3.543) 4.600 0.881 ( 2.549 5.054 -2.346) 6.127 0.991 ( 2.567 -0.235 0.768) 2.689 1.066 ( -0.654 -4.236 0.048) 4.286 1.339 ( 1.077 4.383 0.143) 4.516 1.494 ( 0.008 0.542 -1.477) 1.573 1.703 ( -2.030 -5.055 0.182) 5.450 1.748 ( -3.219 -2.160 -2.980) 4.889 1.821 ( 0.566 1.692 4.469) 4.812 1.949 ( -0.653 -0.054 -0.527) 0.841 1.998 ( -5.554 -0.948 1.521) 5.836 2.013 ( 0.164 -1.745 0.727) 1.897 2.116 ( 2.170 0.518 -0.602) 2.311 2.210 ( -6.712 -0.860 -0.431) 6.781 2.444 ( 3.200 0.520 -0.602) 3.297 2.593 ( 4.808 -0.207 0.058) 4.813 2.989 ( -8.715 -0.812 -0.875) 8.797 3.062 ( -4.008 0.169 0.740) 4.079 3.164 ( 4.460 3.571 -0.748) 5.762 3.485 ( 7.469 -2.731 -1.121) 8.032 5.790 ( 0.733 1.241 -0.220) 1.458 5.897 ( 0.805 -0.191 -0.571) 1.005 6.081 ( 1.549 0.946 2.366) 2.982 6.277 ( -1.878 -0.465 -2.123) 2.872 6.466 ( -0.267 -0.565 1.368) 1.504 6.633 ( -1.271 -0.025 -1.929) 2.310 6.945 ( 0.197 -0.377 1.541) 1.598 7.104 ( 1.212 0.186 -0.627) 1.377 ======================= Grid point 121 (55/160) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 6.712 -1.401 9.387) 11.625 0.531 ( 8.760 2.032 -0.229) 8.995 0.772 ( -0.448 0.551 -1.828) 1.961 0.924 ( 6.912 -0.706 -2.869) 7.517 1.027 ( 2.894 2.766 -0.008) 4.003 1.124 ( 4.016 -2.122 -0.114) 4.543 1.343 ( 1.940 2.654 1.413) 3.578 1.485 ( 0.955 1.199 -2.243) 2.717 1.661 ( -5.506 0.110 -0.897) 5.580 1.681 ( -5.327 -2.963 0.896) 6.161 1.807 ( -4.150 -0.105 3.029) 5.139 1.896 ( -5.833 -0.021 1.983) 6.160 1.940 ( -2.220 -1.463 -1.941) 3.292 2.030 ( -0.367 -0.450 1.349) 1.468 2.116 ( -3.257 0.466 0.266) 3.301 2.147 ( 0.770 -0.161 0.834) 1.146 2.465 ( -2.604 -2.142 -1.030) 3.526 2.615 ( -3.002 0.567 0.913) 3.188 2.856 ( -2.671 0.883 -1.082) 3.014 3.042 ( 0.599 -1.116 -0.763) 1.479 3.233 ( 5.392 2.666 1.680) 6.245 3.602 ( 4.714 -1.841 -1.656) 5.325 5.796 ( 0.965 0.971 0.216) 1.386 5.916 ( 1.763 -0.098 -0.650) 1.882 6.129 ( 2.692 0.279 2.594) 3.749 6.243 ( -0.829 -0.000 -1.326) 1.564 6.456 ( -1.803 -0.164 0.286) 1.833 6.594 ( -1.642 -0.074 -2.066) 2.640 6.962 ( 0.296 -0.261 1.113) 1.181 7.121 ( 1.191 0.030 -0.439) 1.270 ======================= Grid point 126 (56/160) ======================= q-point: (-0.56 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -2.432 -0.000 2.645) 3.593 0.703 ( -9.697 -0.000 12.068) 15.481 0.927 ( -1.729 -0.000 1.037) 2.016 0.959 ( -6.501 -0.000 6.599) 9.264 0.960 ( -5.053 -0.000 -0.345) 5.065 1.143 ( -6.311 -0.000 -0.647) 6.344 1.507 ( -0.004 -0.000 -0.713) 0.713 1.522 ( 4.024 0.000 -3.046) 5.047 1.545 ( -1.464 -0.000 1.436) 2.050 1.657 ( 3.156 0.000 -0.031) 3.156 1.808 ( -0.679 -0.000 -0.212) 0.711 1.864 ( 6.169 0.000 -3.018) 6.868 1.951 ( 3.598 0.000 0.993) 3.733 1.964 ( 0.573 0.000 -0.341) 0.667 2.075 ( 2.727 0.000 -0.956) 2.889 2.168 ( 11.217 0.000 -1.765) 11.355 2.518 ( -2.405 -0.000 0.967) 2.592 2.549 ( -7.481 -0.000 -2.508) 7.890 2.989 ( 10.680 0.000 0.404) 10.688 2.990 ( 4.597 0.000 -0.857) 4.676 3.381 ( -5.872 -0.000 1.923) 6.178 3.387 ( -8.961 -0.000 -1.210) 9.043 5.832 ( -0.745 -0.000 -0.413) 0.852 5.873 ( 0.111 0.000 -0.697) 0.705 6.085 ( -1.374 -0.000 0.860) 1.621 6.328 ( 0.578 0.000 -1.182) 1.316 6.397 ( 0.386 0.000 1.746) 1.788 6.660 ( 1.002 0.000 -0.686) 1.214 6.933 ( -1.308 -0.000 1.679) 2.129 7.105 ( -0.274 -0.000 -0.986) 1.024 ======================= Grid point 128 (57/160) ======================= q-point: (-0.44 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -9.995 1.823 12.332) 15.979 0.671 ( -2.041 -0.388 5.324) 5.715 0.809 ( -4.781 8.521 -0.120) 9.771 0.926 ( -1.416 -2.601 0.016) 2.961 0.955 ( -0.940 -4.452 1.150) 4.693 1.040 ( -2.098 3.831 -3.369) 5.516 1.481 ( 0.756 5.387 -0.771) 5.494 1.527 ( -1.004 0.938 0.199) 1.388 1.581 ( 1.522 -4.259 -1.104) 4.655 1.670 ( -1.142 -4.534 -3.388) 5.774 1.829 ( 2.303 1.756 2.643) 3.921 1.939 ( 2.759 0.367 -0.073) 2.784 1.959 ( 0.016 -1.667 0.284) 1.692 2.011 ( 0.922 -0.453 0.440) 1.118 2.113 ( 1.573 0.439 0.426) 1.688 2.298 ( -0.836 -0.301 -2.816) 2.953 2.438 ( 2.150 2.163 0.142) 3.053 2.479 ( -0.661 -2.163 -0.939) 2.449 3.063 ( 3.365 1.877 1.446) 4.116 3.140 ( -2.225 -1.526 -0.018) 2.698 3.239 ( -0.702 2.903 -0.895) 3.118 3.305 ( -1.472 -3.015 -1.428) 3.647 5.817 ( 0.018 0.873 -0.668) 1.100 5.879 ( 0.503 -0.554 -0.389) 0.843 6.079 ( 0.034 0.583 1.509) 1.618 6.306 ( -1.352 -0.456 -2.397) 2.790 6.431 ( 1.011 -0.268 2.762) 2.954 6.659 ( -0.339 0.010 -1.369) 1.410 6.929 ( -0.570 -0.159 1.764) 1.861 7.099 ( 0.419 0.118 -0.912) 1.010 ======================= Grid point 129 (58/160) ======================= q-point: (-0.33 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -5.001 4.219 7.976) 10.316 0.632 ( -2.771 9.450 -1.975) 10.044 0.723 ( 2.406 -0.442 4.283) 4.932 0.912 ( -3.116 -2.450 -3.234) 5.116 1.001 ( 2.565 -1.888 0.070) 3.186 1.011 ( 4.159 1.623 -1.161) 4.613 1.429 ( 0.245 6.138 -1.068) 6.235 1.507 ( 0.035 1.117 -0.488) 1.220 1.618 ( -1.425 -4.686 0.027) 4.898 1.675 ( -1.767 -6.047 -3.135) 7.037 1.862 ( 0.815 2.860 3.254) 4.408 1.950 ( -1.101 -0.359 0.632) 1.319 1.970 ( -2.880 -1.749 0.973) 3.507 1.997 ( -2.379 -0.402 1.691) 2.946 2.124 ( 0.746 0.450 0.285) 0.917 2.198 ( -5.506 -0.543 -1.131) 5.647 2.445 ( 0.896 -0.303 -1.780) 2.016 2.597 ( 7.534 0.479 0.249) 7.553 2.977 ( -9.759 -0.539 -0.241) 9.777 3.061 ( -4.918 -0.206 0.843) 4.994 3.233 ( 4.832 4.097 -1.280) 6.463 3.431 ( 7.983 -3.323 -0.981) 8.702 5.810 ( 0.646 1.022 -0.593) 1.346 5.892 ( 0.946 -0.344 -0.334) 1.061 6.096 ( 1.263 0.707 1.804) 2.313 6.270 ( -1.427 -0.395 -1.985) 2.476 6.458 ( -0.238 -0.351 2.073) 2.116 6.632 ( -1.405 -0.017 -1.794) 2.279 6.940 ( 0.235 -0.232 1.655) 1.688 7.106 ( 1.106 0.113 -0.777) 1.357 ======================= Grid point 130 (59/160) ======================= q-point: (-0.22 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 2.190 4.026 5.185) 6.920 0.591 ( 6.174 4.936 -0.840) 7.949 0.780 ( -1.372 0.215 -0.740) 1.574 0.894 ( 4.802 -2.658 -2.812) 6.167 1.075 ( 5.413 2.353 -1.364) 6.058 1.087 ( 5.314 -1.901 0.261) 5.650 1.392 ( 0.718 3.154 -0.350) 3.254 1.502 ( 0.687 1.033 -0.484) 1.331 1.614 ( -3.498 -4.556 -0.121) 5.745 1.645 ( -3.779 -2.053 -1.918) 4.709 1.816 ( -5.901 0.976 2.270) 6.397 1.891 ( -6.918 -0.687 2.399) 7.354 1.932 ( -0.429 0.701 -0.873) 1.200 2.018 ( 1.150 -0.963 1.769) 2.319 2.121 ( -3.504 0.087 0.680) 3.570 2.144 ( 0.638 -0.140 0.859) 1.079 2.430 ( -3.653 -1.866 -1.341) 4.316 2.625 ( -4.924 0.455 0.535) 4.974 2.874 ( -0.158 1.283 -0.669) 1.456 3.016 ( -0.077 -1.782 -1.198) 2.149 3.287 ( 4.667 3.414 0.947) 5.860 3.565 ( 5.329 -2.382 -0.960) 5.915 5.812 ( 0.861 0.937 -0.353) 1.321 5.914 ( 1.706 -0.125 -0.379) 1.752 6.134 ( 2.225 0.239 1.777) 2.857 6.243 ( -0.635 -0.095 -1.309) 1.458 6.454 ( -1.619 -0.068 1.192) 2.011 6.593 ( -1.706 -0.073 -1.848) 2.516 6.958 ( 0.381 -0.202 1.362) 1.429 7.121 ( 1.152 0.021 -0.628) 1.313 ======================= Grid point 131 (60/160) ======================= q-point: (-0.11 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 5.428 -1.702 3.471) 6.664 0.650 ( 2.317 -0.011 2.492) 3.402 0.779 ( 8.017 1.493 -4.547) 9.337 1.010 ( 6.810 -1.111 -2.469) 7.329 1.112 ( 2.513 3.661 -0.475) 4.466 1.226 ( 9.817 -1.084 -2.161) 10.110 1.388 ( -0.150 -0.125 0.026) 0.198 1.495 ( -0.470 0.783 -2.095) 2.286 1.569 ( -3.231 -0.231 -0.961) 3.378 1.579 ( -3.994 -1.079 1.400) 4.367 1.735 ( -4.525 -0.982 1.844) 4.984 1.786 ( -6.269 -0.785 0.573) 6.344 1.914 ( -0.715 1.122 0.264) 1.356 2.021 ( -2.868 0.961 2.789) 4.114 2.101 ( -0.103 -0.366 0.820) 0.904 2.144 ( -2.189 -0.160 1.878) 2.888 2.331 ( -7.077 -1.850 -1.797) 7.532 2.502 ( -8.277 -1.077 0.750) 8.380 2.914 ( 4.965 1.232 0.525) 5.143 3.043 ( 1.823 -1.610 -2.690) 3.626 3.342 ( 2.973 1.862 2.514) 4.316 3.640 ( 2.723 -0.804 -1.058) 3.030 5.819 ( 0.765 0.489 -0.126) 0.916 5.945 ( 2.004 -0.040 -0.440) 2.052 6.185 ( 2.118 -0.526 1.495) 2.645 6.233 ( 0.244 -0.041 -0.801) 0.838 6.426 ( -1.958 0.475 0.904) 2.208 6.555 ( -1.223 0.039 -1.617) 2.028 6.971 ( 0.044 -0.032 1.070) 1.071 7.134 ( 0.693 -0.045 -0.569) 0.898 ======================= Grid point 137 (61/160) ======================= q-point: ( 0.56 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -4.835 -0.000 8.404) 9.695 0.692 ( 1.850 0.000 4.325) 4.704 0.794 ( -2.165 -0.000 -4.167) 4.696 0.829 ( -4.244 -0.000 -1.126) 4.390 0.987 ( 3.451 0.000 1.065) 3.612 1.033 ( 3.417 0.000 -3.888) 5.176 1.515 ( -1.243 -0.000 -1.046) 1.624 1.531 ( 1.152 0.000 0.433) 1.231 1.570 ( 0.648 0.000 -0.434) 0.779 1.578 ( -2.978 -0.000 -3.583) 4.659 1.904 ( 2.486 0.000 3.474) 4.272 1.923 ( -3.093 -0.000 0.079) 3.094 1.962 ( -2.028 -0.000 1.979) 2.833 1.994 ( -2.819 -0.000 0.920) 2.965 2.129 ( 0.176 0.000 0.730) 0.751 2.193 ( -5.144 -0.000 -1.533) 5.368 2.441 ( 0.096 0.000 -2.112) 2.114 2.602 ( 8.612 0.000 0.186) 8.614 2.972 ( -10.194 -0.000 -0.044) 10.194 3.059 ( -5.117 -0.000 0.928) 5.201 3.278 ( 3.959 0.000 -1.726) 4.319 3.393 ( 9.022 0.000 -0.637) 9.045 5.820 ( 0.565 0.000 -0.859) 1.028 5.889 ( 1.058 0.000 -0.105) 1.063 6.102 ( 1.119 0.000 1.560) 1.920 6.266 ( -1.235 -0.000 -1.938) 2.298 6.455 ( -0.223 -0.000 2.372) 2.382 6.632 ( -1.457 -0.000 -1.740) 2.270 6.938 ( 0.256 0.000 1.693) 1.712 7.107 ( 1.066 0.000 -0.834) 1.354 ======================= Grid point 139 (62/160) ======================= q-point: (-0.33 0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -0.205 2.240 3.424) 4.097 0.694 ( 1.675 6.634 -2.767) 7.381 0.776 ( -0.506 -0.680 -0.702) 1.101 0.829 ( 6.350 -4.720 -0.869) 7.959 1.065 ( 4.022 -0.473 1.947) 4.493 1.106 ( 7.615 1.011 -3.699) 8.525 1.448 ( -2.146 3.287 -2.096) 4.449 1.513 ( -3.126 -1.440 -0.311) 3.456 1.553 ( 0.824 -0.513 -1.075) 1.448 1.598 ( -0.567 -3.090 -0.426) 3.170 1.832 ( -6.469 0.738 1.058) 6.596 1.878 ( -7.578 -0.618 3.345) 8.307 1.952 ( -0.623 1.115 -0.952) 1.593 2.000 ( 3.186 -0.923 2.133) 3.944 2.120 ( -3.895 -0.081 1.058) 4.037 2.143 ( 0.652 -0.001 0.809) 1.039 2.407 ( -3.944 -0.714 -1.272) 4.205 2.630 ( -6.667 0.128 0.179) 6.671 2.896 ( 2.549 0.997 -0.332) 2.758 2.988 ( -1.547 -1.184 -1.671) 2.566 3.336 ( 3.767 1.884 0.127) 4.214 3.529 ( 6.181 -1.450 -0.131) 6.350 5.824 ( 0.736 0.401 -0.881) 1.216 5.913 ( 1.742 -0.069 -0.049) 1.744 6.136 ( 1.869 0.095 1.237) 2.243 6.241 ( -0.481 -0.065 -1.283) 1.372 6.453 ( -1.486 -0.006 1.806) 2.339 6.592 ( -1.752 -0.031 -1.723) 2.457 6.955 ( 0.439 -0.075 1.496) 1.561 7.122 ( 1.128 0.007 -0.742) 1.350 ======================= Grid point 140 (63/160) ======================= q-point: (-0.22 0.56 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 4.872 -0.099 3.569) 6.041 0.673 ( -0.078 1.880 1.069) 2.164 0.814 ( 9.448 2.460 -4.964) 10.953 0.995 ( 8.287 -0.737 0.192) 8.322 1.145 ( 2.505 -0.179 2.719) 3.701 1.218 ( 10.191 0.693 -5.011) 11.378 1.377 ( -3.769 -0.723 -2.122) 4.385 1.469 ( -3.291 -2.974 -0.516) 4.465 1.566 ( 0.934 0.263 -1.012) 1.402 1.583 ( -2.240 0.587 0.199) 2.324 1.733 ( -5.231 0.621 1.771) 5.557 1.770 ( -6.438 -1.079 1.321) 6.660 1.931 ( 0.300 0.750 -1.765) 1.941 2.041 ( -2.852 1.339 3.133) 4.444 2.092 ( 0.639 -0.760 1.613) 1.894 2.142 ( -2.635 -0.072 1.735) 3.156 2.307 ( -5.991 -0.983 -1.188) 6.187 2.483 ( -9.220 -1.035 1.067) 9.339 2.939 ( 3.943 1.713 -0.972) 4.408 3.010 ( 2.269 -2.150 -2.752) 4.165 3.373 ( 1.731 1.562 1.350) 2.694 3.626 ( 3.946 -0.734 0.600) 4.058 5.825 ( 0.357 0.280 -0.800) 0.920 5.946 ( 2.030 0.034 -0.164) 2.037 6.178 ( 1.827 -0.358 0.710) 1.992 6.233 ( 0.222 -0.034 -0.880) 0.908 6.433 ( -1.795 0.336 1.633) 2.450 6.556 ( -1.149 0.012 -1.346) 1.770 6.970 ( 0.150 -0.016 1.271) 1.280 7.133 ( 0.708 -0.030 -0.691) 0.989 ======================= Grid point 141 (64/160) ======================= q-point: (-0.11 -0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 0.378 3.131 -1.625) 3.548 0.775 ( 4.882 -1.586 7.315) 8.937 0.935 ( 8.234 3.120 -2.909) 9.273 1.092 ( 3.257 0.834 -1.086) 3.533 1.169 ( 1.060 1.931 -1.177) 2.498 1.290 ( -2.161 -2.480 -3.401) 4.731 1.396 ( 9.318 -1.877 -2.163) 9.748 1.464 ( -0.572 -3.991 0.009) 4.032 1.517 ( -2.335 2.519 -0.126) 3.437 1.569 ( -0.661 -0.374 -0.745) 1.064 1.669 ( -1.560 0.254 0.172) 1.590 1.726 ( -1.481 -0.297 1.381) 2.047 1.926 ( 0.070 1.368 1.062) 1.734 1.968 ( -7.817 0.616 3.195) 8.467 2.035 ( -6.310 -1.708 0.567) 6.561 2.117 ( -1.313 0.751 1.527) 2.150 2.280 ( 3.233 0.546 -1.584) 3.642 2.377 ( -4.921 -1.173 1.255) 5.212 2.975 ( 0.319 -0.564 -1.072) 1.252 3.048 ( 3.042 -1.389 -1.580) 3.699 3.384 ( -0.779 0.284 1.842) 2.019 3.684 ( 2.412 1.012 0.813) 2.740 5.822 ( -0.218 -0.352 -0.619) 0.745 5.972 ( 1.145 0.159 -0.262) 1.185 6.201 ( -0.162 -0.858 -0.385) 0.954 6.235 ( 0.442 -0.139 -0.468) 0.659 6.418 ( -0.621 0.766 1.917) 2.156 6.542 ( 0.560 0.240 -0.581) 0.841 6.977 ( -0.164 0.166 1.151) 1.174 7.137 ( 0.216 -0.072 -0.772) 0.805 ======================= Grid point 148 (65/160) ======================= q-point: ( 0.67 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 3.804 0.000 2.414) 4.506 0.692 ( -0.016 -0.000 1.315) 1.315 0.841 ( 9.075 0.000 -6.391) 11.100 0.987 ( 10.644 0.000 2.896) 11.031 1.135 ( 2.077 0.000 3.225) 3.835 1.231 ( 9.654 0.000 -5.585) 11.153 1.372 ( -5.847 -0.000 -3.028) 6.584 1.434 ( -3.055 -0.000 -0.566) 3.107 1.571 ( 0.625 0.000 -1.289) 1.432 1.587 ( -0.505 -0.000 0.637) 0.813 1.746 ( -4.097 -0.000 1.465) 4.351 1.754 ( -7.793 -0.000 2.139) 8.081 1.938 ( 0.453 0.000 -2.818) 2.854 2.058 ( -4.919 -0.000 3.006) 5.764 2.080 ( 3.599 0.000 2.115) 4.174 2.142 ( -3.050 -0.000 1.740) 3.511 2.299 ( -5.550 -0.000 -0.882) 5.619 2.473 ( -9.731 -0.000 1.165) 9.800 2.968 ( 3.369 0.000 -1.993) 3.915 2.978 ( 2.602 0.000 -2.326) 3.490 3.387 ( 1.112 0.000 0.709) 1.319 3.619 ( 4.562 0.000 1.411) 4.776 5.828 ( 0.179 0.000 -1.073) 1.088 5.946 ( 2.055 0.000 -0.067) 2.056 6.174 ( 1.715 0.000 0.429) 1.767 6.232 ( 0.226 0.000 -0.881) 0.910 6.436 ( -1.746 -0.000 1.885) 2.570 6.556 ( -1.118 -0.000 -1.243) 1.672 6.970 ( 0.192 0.000 1.347) 1.360 7.133 ( 0.713 0.000 -0.738) 1.026 ======================= Grid point 150 (66/160) ======================= q-point: (-0.22 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 3.766 3.200 0.790) 5.004 0.750 ( 4.099 -1.329 5.097) 6.674 0.969 ( 9.958 0.749 -5.444) 11.374 1.127 ( 1.460 3.034 2.087) 3.961 1.172 ( -3.140 -1.305 1.256) 3.625 1.260 ( 0.161 -1.384 -1.371) 1.955 1.370 ( 8.620 -0.150 -4.341) 9.653 1.401 ( -0.036 -3.018 -2.132) 3.695 1.544 ( -2.480 0.683 -0.106) 2.575 1.564 ( -1.799 -0.109 -0.126) 1.807 1.684 ( -0.074 0.918 -0.009) 0.921 1.720 ( -1.005 -0.355 1.192) 1.599 1.937 ( 0.994 0.209 -1.143) 1.529 1.985 ( -7.355 1.023 2.977) 8.000 2.009 ( -9.838 -1.277 2.093) 10.139 2.132 ( 0.290 0.762 1.250) 1.492 2.286 ( 4.198 0.200 -1.268) 4.390 2.357 ( -4.473 -0.797 1.876) 4.915 2.970 ( -0.991 -0.102 -2.326) 2.530 3.028 ( 3.769 -0.724 -1.443) 4.101 3.389 ( -1.420 0.191 1.296) 1.932 3.696 ( 3.027 0.359 1.813) 3.547 5.818 ( -0.593 -0.146 -0.943) 1.124 5.974 ( 1.217 0.069 -0.248) 1.244 6.191 ( -0.112 -0.316 -0.653) 0.734 6.233 ( 0.354 -0.046 -0.596) 0.694 6.427 ( -0.582 0.279 2.203) 2.296 6.545 ( 0.637 0.094 -0.389) 0.752 6.979 ( -0.076 0.068 1.298) 1.302 7.136 ( 0.206 -0.030 -0.845) 0.871 ======================= Grid point 151 (67/160) ======================= q-point: (-0.11 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -2.817 6.993 -2.242) 7.865 0.849 ( -0.198 -0.635 5.176) 5.219 1.002 ( -4.423 -1.472 -2.879) 5.479 1.051 ( -4.263 0.212 2.927) 5.175 1.181 ( 5.985 -2.063 -5.190) 8.186 1.288 ( 0.144 1.341 -1.387) 1.934 1.421 ( 0.080 -3.089 2.241) 3.817 1.483 ( 2.494 1.030 0.144) 2.703 1.534 ( -1.805 -0.344 2.572) 3.161 1.567 ( 7.108 -1.314 -4.489) 8.509 1.693 ( -1.558 0.592 0.222) 1.681 1.707 ( 0.153 1.114 0.642) 1.295 1.817 ( -6.875 0.313 2.143) 7.208 1.934 ( -0.859 -0.967 1.872) 2.276 1.985 ( 1.985 -1.694 -2.231) 3.434 2.117 ( -0.998 1.793 0.528) 2.119 2.354 ( 3.904 1.106 0.703) 4.118 2.379 ( 5.587 0.208 -0.447) 5.608 2.917 ( -3.921 -1.258 -1.349) 4.334 3.090 ( 2.666 -0.857 0.222) 2.809 3.355 ( -3.619 -0.275 1.643) 3.984 3.730 ( 0.565 1.176 0.873) 1.570 5.801 ( -1.066 -0.659 -0.639) 1.407 5.979 ( -0.430 0.180 -0.233) 0.521 6.165 ( -2.427 -0.642 -1.384) 2.867 6.241 ( 0.706 -0.184 0.264) 0.776 6.439 ( 0.746 0.713 1.893) 2.156 6.569 ( 2.247 0.286 0.266) 2.281 6.984 ( -0.204 0.311 1.396) 1.445 7.130 ( -0.192 -0.133 -1.066) 1.092 ======================= Grid point 159 (68/160) ======================= q-point: (-0.22 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.322 -0.000 -0.415) 0.525 0.794 ( -1.272 -0.000 1.017) 1.629 0.994 ( -9.104 -0.000 -2.014) 9.324 1.051 ( -2.989 -0.000 3.183) 4.366 1.163 ( 6.531 0.000 -5.144) 8.314 1.313 ( -4.409 -0.000 -1.789) 4.758 1.379 ( 6.763 0.000 3.089) 7.435 1.495 ( 2.332 0.000 2.280) 3.261 1.530 ( -0.980 -0.000 2.016) 2.241 1.554 ( 5.062 0.000 -5.126) 7.204 1.697 ( -2.590 -0.000 0.240) 2.602 1.718 ( 0.623 0.000 0.818) 1.028 1.825 ( -5.610 -0.000 1.527) 5.814 1.922 ( -2.283 -0.000 1.365) 2.660 1.969 ( 2.469 0.000 -1.951) 3.147 2.134 ( -0.900 -0.000 0.364) 0.970 2.366 ( 3.855 0.000 2.273) 4.475 2.378 ( 6.573 0.000 -1.818) 6.819 2.906 ( -4.135 -0.000 -1.428) 4.375 3.082 ( 2.929 0.000 0.170) 2.934 3.353 ( -3.821 -0.000 1.634) 4.156 3.740 ( 0.525 0.000 0.926) 1.065 5.795 ( -1.174 -0.000 -0.683) 1.358 5.980 ( -0.410 -0.000 -0.265) 0.489 6.159 ( -2.449 -0.000 -1.421) 2.832 6.239 ( 0.736 0.000 0.196) 0.762 6.446 ( 0.791 0.000 2.045) 2.192 6.572 ( 2.276 0.000 0.287) 2.294 6.987 ( -0.107 -0.000 1.492) 1.496 7.129 ( -0.239 -0.000 -1.125) 1.150 ======================= Grid point 160 (69/160) ======================= q-point: (-0.11 -0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -11.368 8.823 -3.791) 14.882 0.727 ( -10.681 -9.759 -3.152) 14.807 0.905 ( -2.956 1.756 2.022) 3.989 1.009 ( -2.490 -1.213 1.104) 2.982 1.161 ( -10.145 -0.489 0.937) 10.199 1.279 ( 2.522 0.092 -0.136) 2.527 1.431 ( -4.097 -1.128 4.496) 6.186 1.492 ( -1.808 2.143 2.529) 3.776 1.556 ( 4.132 -0.817 2.706) 5.007 1.631 ( -0.235 -0.825 -0.050) 0.859 1.660 ( 4.258 0.397 -3.668) 5.634 1.722 ( 2.927 -0.050 -1.157) 3.147 1.875 ( 7.745 1.934 -0.417) 7.993 1.939 ( 3.811 -2.091 -3.528) 5.598 2.015 ( 2.783 -0.288 0.975) 2.963 2.114 ( -0.734 1.157 -0.561) 1.481 2.462 ( 5.560 1.274 -0.396) 5.718 2.477 ( 5.563 -0.465 -1.409) 5.757 2.846 ( -1.304 -0.661 0.713) 1.626 3.115 ( -0.242 0.104 1.254) 1.282 3.289 ( -4.788 -0.412 2.095) 5.242 3.719 ( -2.960 0.398 -0.708) 3.069 5.773 ( -1.105 -0.401 -0.360) 1.229 5.960 ( -1.602 0.059 -0.038) 1.604 6.101 ( -3.315 -0.374 -1.049) 3.497 6.267 ( 1.886 -0.038 1.401) 2.350 6.470 ( 0.787 0.473 0.979) 1.342 6.615 ( 2.421 0.181 0.225) 2.438 6.995 ( -0.041 0.405 1.795) 1.841 7.114 ( -0.540 -0.187 -1.371) 1.485 ======================= Grid point 169 (70/160) ======================= q-point: (-0.11 -0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -12.785 -0.000 -5.354) 13.860 0.419 ( -13.358 -0.000 -2.530) 13.596 0.854 ( -5.912 -0.000 2.182) 6.302 0.909 ( -17.502 -0.000 11.220) 20.789 1.000 ( -1.995 -0.000 -2.976) 3.582 1.285 ( -2.150 -0.000 1.245) 2.484 1.354 ( -6.493 -0.000 5.502) 8.510 1.550 ( 5.587 0.000 -1.881) 5.895 1.582 ( -2.876 -0.000 1.784) 3.384 1.650 ( 4.810 0.000 0.794) 4.875 1.768 ( 2.930 0.000 -0.770) 3.029 1.771 ( 8.292 0.000 -2.740) 8.733 1.965 ( 4.141 0.000 -5.812) 7.136 2.044 ( 8.497 0.000 0.987) 8.554 2.076 ( 2.989 0.000 1.519) 3.353 2.109 ( 1.771 0.000 -2.114) 2.757 2.471 ( -4.562 -0.000 -0.293) 4.571 2.546 ( 4.434 0.000 -3.140) 5.433 2.927 ( 9.264 0.000 2.247) 9.533 3.085 ( -4.069 -0.000 0.243) 4.076 3.231 ( -3.641 -0.000 3.493) 5.046 3.628 ( -6.540 -0.000 -2.233) 6.911 5.756 ( -0.508 -0.000 -0.012) 0.508 5.930 ( -1.811 -0.000 0.278) 1.832 6.041 ( -2.906 -0.000 0.034) 2.906 6.320 ( 2.859 0.000 2.112) 3.555 6.478 ( -0.400 -0.000 -0.405) 0.570 6.652 ( 1.659 0.000 -0.248) 1.677 7.014 ( 0.417 0.000 2.062) 2.104 7.093 ( -0.567 -0.000 -1.460) 1.566 ======================= Grid point 170 (71/160) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 4.442 0.000 9.034) 10.067 0.468 ( 4.304 0.000 9.907) 10.802 0.754 ( -1.811 -0.000 1.947) 2.659 0.849 ( -13.671 -0.000 13.845) 19.457 1.008 ( -0.267 -0.000 0.708) 0.757 1.242 ( 2.240 0.000 1.417) 2.650 1.287 ( -5.810 -0.000 3.119) 6.594 1.451 ( -2.433 -0.000 -3.228) 4.042 1.795 ( -1.014 -0.000 1.511) 1.820 1.802 ( 4.423 0.000 0.407) 4.442 1.860 ( 3.913 0.000 0.509) 3.946 1.924 ( 6.820 0.000 -5.941) 9.044 1.947 ( -2.013 -0.000 0.145) 2.018 2.032 ( 3.284 0.000 3.074) 4.498 2.093 ( -2.487 -0.000 -1.618) 2.967 2.353 ( 1.325 0.000 2.395) 2.737 2.378 ( -4.205 -0.000 -4.787) 6.372 2.535 ( 0.645 0.000 -2.566) 2.646 2.912 ( 7.909 0.000 1.441) 8.040 3.152 ( -9.597 -0.000 -3.809) 10.326 3.221 ( -5.697 -0.000 3.784) 6.839 3.381 ( 8.342 0.000 -1.197) 8.428 5.751 ( 0.347 0.000 0.720) 0.799 5.885 ( -0.479 -0.000 -1.284) 1.370 6.084 ( 0.701 0.000 3.507) 3.576 6.297 ( -2.809 -0.000 -3.146) 4.217 6.491 ( 0.523 0.000 1.375) 1.471 6.613 ( -0.215 -0.000 -2.319) 2.328 6.994 ( -1.737 -0.000 1.678) 2.415 7.063 ( 1.481 0.000 -0.932) 1.750 ======================= Grid point 171 (72/160) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 5.284 6.539 7.733) 11.423 0.640 ( 0.159 -3.904 8.895) 9.715 0.753 ( -2.220 -0.361 5.254) 5.715 0.762 ( -0.525 -0.848 2.049) 2.279 1.009 ( 0.060 -0.191 1.280) 1.296 1.207 ( -4.537 1.460 3.155) 5.716 1.296 ( 2.047 -0.773 2.616) 3.411 1.398 ( -1.563 -1.298 -4.272) 4.731 1.748 ( -4.634 0.387 1.886) 5.018 1.835 ( -1.298 1.483 0.132) 1.975 1.909 ( -3.386 -0.369 3.716) 5.041 1.929 ( 4.759 0.892 -2.288) 5.355 1.997 ( -5.169 -0.170 -2.674) 5.823 2.017 ( 6.118 -0.279 -4.639) 7.683 2.085 ( -0.249 -0.094 3.780) 3.789 2.191 ( -8.608 -0.110 -4.274) 9.612 2.455 ( 6.590 0.172 2.647) 7.104 2.583 ( 3.781 0.052 -2.704) 4.648 2.943 ( -10.441 -0.220 -3.713) 11.083 3.061 ( 3.860 -0.635 3.099) 4.991 3.159 ( -0.949 0.308 2.402) 2.601 3.505 ( 6.780 0.492 -2.291) 7.173 5.772 ( 1.036 -0.242 1.267) 1.654 5.876 ( 0.771 -0.025 -1.887) 2.039 6.131 ( 2.021 -0.026 3.934) 4.423 6.240 ( -1.542 0.030 -2.278) 2.751 6.491 ( -1.397 -0.064 0.870) 1.647 6.587 ( -1.125 -0.057 -2.226) 2.495 6.985 ( -0.584 0.069 1.427) 1.543 7.087 ( 1.806 0.015 -0.753) 1.956 ======================= Grid point 172 (73/160) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.219 1.382 5.602) 5.774 0.703 ( 4.006 3.144 7.322) 8.918 0.746 ( -1.010 1.184 0.031) 1.557 0.846 ( 7.371 -1.843 -3.638) 8.424 1.029 ( -0.512 -0.918 2.935) 3.118 1.168 ( -0.013 1.402 1.706) 2.208 1.358 ( 2.054 -0.764 1.899) 2.899 1.369 ( -0.693 -3.747 -3.131) 4.932 1.667 ( -4.824 1.762 1.063) 5.244 1.747 ( -6.425 1.200 1.144) 6.635 1.864 ( -4.043 0.653 1.035) 4.224 1.886 ( -5.788 -0.250 -2.312) 6.237 1.965 ( -0.011 1.079 1.356) 1.733 2.042 ( 0.502 -0.151 -0.198) 0.560 2.083 ( -0.997 -0.781 -2.145) 2.491 2.140 ( 2.813 -0.193 -0.841) 2.942 2.491 ( -4.285 2.541 -0.696) 5.031 2.603 ( -2.257 -1.275 -1.152) 2.836 2.836 ( 1.838 -0.546 0.946) 2.138 3.039 ( -2.176 0.818 -1.012) 2.535 3.273 ( 6.553 -0.836 4.724) 8.121 3.569 ( 3.541 0.353 -3.344) 4.883 5.802 ( 1.054 -0.155 1.502) 1.841 5.889 ( 2.149 -0.197 -2.006) 2.947 6.198 ( 2.684 0.549 3.788) 4.675 6.216 ( 0.053 0.005 -1.539) 1.540 6.463 ( -2.577 -0.506 1.070) 2.836 6.549 ( -1.589 -0.147 -2.203) 2.720 6.988 ( -0.201 -0.017 1.120) 1.138 7.109 ( 1.383 0.132 -0.807) 1.607 ======================= Grid point 173 (74/160) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -1.282 0.729 1.611) 2.185 0.709 ( 3.489 0.269 -0.491) 3.534 0.838 ( 6.317 0.883 5.962) 8.731 0.957 ( 6.396 -1.528 -4.090) 7.744 1.037 ( -0.542 -0.303 1.658) 1.770 1.205 ( 3.680 -1.686 -2.167) 4.592 1.369 ( 0.033 -3.649 -2.932) 4.681 1.414 ( 1.223 1.463 1.660) 2.528 1.584 ( -1.826 2.100 0.249) 2.794 1.649 ( -5.082 0.876 2.026) 5.540 1.769 ( -4.930 1.286 -1.190) 5.232 1.805 ( -3.426 0.483 0.982) 3.597 1.944 ( -2.330 0.443 2.272) 3.284 2.046 ( -1.752 -1.304 1.478) 2.637 2.087 ( 2.137 -0.362 -1.953) 2.917 2.168 ( 0.723 0.594 -0.242) 0.966 2.325 ( -9.505 1.405 -1.533) 9.729 2.512 ( -7.115 -0.267 -0.481) 7.136 2.949 ( 6.252 0.997 2.936) 6.979 3.010 ( 1.389 1.167 -2.707) 3.259 3.401 ( 3.495 -0.172 4.490) 5.693 3.596 ( 2.254 -1.402 -2.577) 3.700 5.826 ( 0.828 0.437 1.030) 1.393 5.921 ( 2.451 -0.463 -1.658) 2.995 6.211 ( 0.488 0.241 -1.708) 1.792 6.248 ( 1.233 1.466 2.705) 3.315 6.439 ( -2.050 -1.277 2.056) 3.172 6.516 ( -0.568 -0.333 -1.748) 1.868 6.992 ( -0.215 -0.195 1.156) 1.192 7.120 ( 0.701 0.189 -0.995) 1.232 ======================= Grid point 174 (75/160) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -1.133 1.765 1.164) 2.399 0.829 ( 3.861 -5.903 0.808) 7.100 0.958 ( 2.465 0.153 5.627) 6.145 1.040 ( 4.647 -3.129 -2.551) 6.155 1.062 ( 4.347 0.422 -2.190) 4.886 1.245 ( 0.490 -0.702 -4.291) 4.375 1.370 ( 4.162 3.007 -3.572) 6.255 1.432 ( 1.981 -0.305 -0.901) 2.198 1.563 ( -2.505 0.795 0.250) 2.640 1.582 ( -2.788 1.178 1.974) 3.614 1.697 ( -0.265 1.786 0.406) 1.851 1.759 ( -2.987 -0.024 1.340) 3.274 1.932 ( -0.116 -0.779 1.247) 1.474 2.023 ( -3.718 0.043 2.254) 4.348 2.078 ( -5.527 0.521 1.405) 5.727 2.143 ( -2.094 0.195 0.964) 2.314 2.226 ( 1.823 -0.720 -2.007) 2.805 2.394 ( -5.438 -0.255 -0.078) 5.445 2.979 ( -0.212 1.829 -1.431) 2.332 3.061 ( 4.426 1.548 0.639) 4.732 3.438 ( -0.759 1.049 2.226) 2.575 3.655 ( 2.756 -2.946 0.267) 4.043 5.832 ( 0.010 1.173 0.365) 1.228 5.951 ( 1.367 -0.697 -1.290) 2.005 6.199 ( -0.406 0.684 -1.479) 1.679 6.254 ( -0.182 1.230 1.247) 1.761 6.437 ( -1.120 -1.461 1.719) 2.519 6.523 ( 1.706 -0.394 -0.332) 1.782 6.999 ( -0.271 -0.400 1.453) 1.531 7.118 ( 0.192 0.217 -1.255) 1.288 ======================= Grid point 175 (76/160) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -2.378 0.315 2.213) 3.264 0.871 ( -3.056 -4.111 0.056) 5.123 1.026 ( 0.864 2.485 0.914) 2.785 1.075 ( -2.122 -1.125 1.453) 2.808 1.124 ( 4.894 2.240 -3.737) 6.552 1.256 ( 4.038 -0.508 -1.015) 4.195 1.370 ( 2.435 3.305 -8.024) 9.014 1.466 ( 3.442 -2.458 -2.550) 4.939 1.527 ( 0.921 1.725 0.901) 2.153 1.594 ( 3.062 -0.466 2.126) 3.756 1.704 ( -3.837 -0.619 0.297) 3.898 1.724 ( 1.214 0.002 2.777) 3.031 1.894 ( -8.317 -0.122 3.664) 9.089 1.986 ( -2.822 2.314 -0.028) 3.650 1.998 ( 0.899 -0.190 2.500) 2.663 2.114 ( -2.966 -0.658 1.592) 3.430 2.302 ( 6.224 -0.995 -2.436) 6.757 2.376 ( 2.872 -1.348 0.537) 3.218 2.929 ( -2.715 1.852 -0.474) 3.320 3.107 ( 1.563 0.052 -0.161) 1.572 3.411 ( -2.462 1.539 2.245) 3.670 3.707 ( 0.195 -1.884 -0.053) 1.895 5.814 ( -0.933 1.300 0.311) 1.630 5.960 ( -0.106 -0.706 -1.098) 1.310 6.161 ( -2.254 1.078 -0.611) 2.572 6.259 ( 1.184 0.426 0.929) 1.564 6.448 ( -0.224 -1.590 0.928) 1.854 6.562 ( 2.454 -0.181 -0.335) 2.484 7.009 ( -0.342 -0.610 1.785) 1.917 7.107 ( -0.116 0.335 -1.519) 1.560 ======================= Grid point 176 (77/160) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -4.434 3.202 4.840) 7.304 0.829 ( -9.626 6.205 -2.207) 11.663 0.863 ( -3.389 0.999 -1.278) 3.757 1.041 ( -3.125 2.057 -0.964) 3.864 1.184 ( 1.796 -1.249 0.474) 2.238 1.296 ( 2.148 1.620 -0.180) 2.696 1.401 ( 6.557 0.244 -7.377) 9.873 1.524 ( 1.771 -3.149 2.713) 4.518 1.553 ( -2.411 -1.622 0.637) 2.975 1.659 ( 1.879 -0.458 -0.059) 1.935 1.672 ( 0.567 0.308 2.765) 2.839 1.726 ( -2.323 1.101 2.824) 3.819 1.864 ( 3.898 -1.130 2.617) 4.829 1.936 ( 0.789 2.104 -0.949) 2.439 2.043 ( 1.565 -1.239 -0.089) 1.998 2.077 ( -2.699 -0.804 1.326) 3.113 2.402 ( 6.675 -0.138 -2.726) 7.211 2.475 ( 4.830 -0.477 0.320) 4.864 2.880 ( -0.379 0.768 1.027) 1.337 3.108 ( -2.507 -2.200 -0.727) 3.414 3.365 ( -2.887 2.134 3.114) 4.752 3.682 ( -3.613 -0.388 -1.909) 4.105 5.788 ( -1.258 0.906 0.665) 1.687 5.948 ( -0.984 -0.548 -0.923) 1.457 6.108 ( -2.591 0.984 0.476) 2.813 6.299 ( 2.478 -0.037 1.520) 2.907 6.460 ( -0.448 -1.533 -0.083) 1.600 6.599 ( 2.313 -0.064 -1.307) 2.657 7.020 ( -0.539 -0.905 1.797) 2.083 7.089 ( -0.269 0.541 -1.606) 1.716 ======================= Grid point 177 (78/160) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -2.182 7.807 8.074) 11.442 0.518 ( -12.123 10.356 -1.748) 16.040 0.846 ( -2.678 -2.723 1.070) 3.966 0.967 ( -1.518 2.155 -1.497) 3.032 1.147 ( -8.318 0.478 7.999) 11.550 1.302 ( -2.552 0.779 -0.937) 2.828 1.401 ( -2.804 -0.505 -0.942) 3.001 1.552 ( 3.925 -1.127 -0.048) 4.084 1.582 ( -0.390 -0.187 -0.094) 0.442 1.685 ( 1.830 -2.324 3.931) 4.920 1.734 ( 3.712 0.229 2.173) 4.307 1.771 ( 6.095 -0.413 -1.151) 6.216 1.895 ( 0.743 1.904 -1.697) 2.657 2.020 ( -0.116 -1.560 -3.359) 3.705 2.062 ( 7.021 -1.904 1.475) 7.422 2.103 ( 4.324 0.377 0.986) 4.451 2.481 ( -2.707 0.862 -0.205) 2.849 2.495 ( 5.046 0.590 -1.164) 5.212 2.963 ( 8.622 -0.543 1.401) 8.752 3.035 ( -6.919 -2.198 -2.823) 7.790 3.324 ( -3.033 1.374 4.094) 5.277 3.571 ( -6.913 0.418 -3.458) 7.740 5.768 ( -1.030 0.383 0.725) 1.316 5.927 ( -1.174 -0.334 -0.738) 1.427 6.069 ( -1.850 0.755 1.874) 2.740 6.355 ( 2.279 -0.426 1.085) 2.560 6.454 ( -0.978 -0.877 -0.683) 1.480 6.623 ( 1.644 -0.063 -2.219) 2.762 7.027 ( -0.924 -1.250 1.156) 1.937 7.070 ( -0.227 0.686 -1.399) 1.575 ======================= Grid point 178 (79/160) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( -4.224 -0.760 8.195) 9.251 0.429 ( 1.346 9.472 9.892) 13.762 0.801 ( -4.458 0.081 1.787) 4.804 0.961 ( -0.140 -0.112 0.596) 0.622 1.029 ( -11.801 0.096 13.499) 17.931 1.228 ( -1.661 0.969 -0.639) 2.026 1.353 ( -4.323 -1.035 1.799) 4.795 1.520 ( -3.328 0.106 -1.844) 3.807 1.690 ( 6.752 -1.293 1.821) 7.112 1.752 ( 3.912 0.423 0.661) 3.990 1.807 ( 1.711 -0.498 1.793) 2.528 1.877 ( 4.076 -1.018 -4.623) 6.247 1.914 ( 6.392 0.480 1.856) 6.673 1.982 ( -1.058 0.530 -2.815) 3.054 2.116 ( 0.678 -0.433 -1.060) 1.331 2.289 ( 11.347 -0.803 -0.802) 11.404 2.390 ( -5.569 0.671 1.737) 5.872 2.575 ( 2.748 -0.233 -0.109) 2.760 2.888 ( -5.839 0.006 -4.338) 7.274 3.149 ( 9.986 -0.550 0.475) 10.013 3.283 ( -4.607 0.108 4.355) 6.341 3.407 ( -8.166 0.570 -4.024) 9.122 5.753 ( -0.753 0.178 0.356) 0.852 5.905 ( -1.045 -0.118 -0.777) 1.308 6.061 ( -0.452 0.332 3.048) 3.099 6.361 ( -1.866 -0.445 -2.493) 3.146 6.461 ( 1.316 -0.093 1.472) 1.977 6.626 ( 0.611 -0.002 -2.548) 2.620 7.019 ( -2.054 -0.794 0.979) 2.410 7.055 ( 0.394 0.471 -1.291) 1.429 ======================= Grid point 180 (80/160) ======================= q-point: ( 0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -2.917 -0.000 7.490) 8.038 0.729 ( 4.134 0.000 4.658) 6.228 0.776 ( 2.067 0.000 -2.434) 3.193 0.818 ( 7.173 0.000 -0.740) 7.211 1.022 ( 0.265 0.000 2.317) 2.332 1.181 ( -1.468 -0.000 1.779) 2.307 1.331 ( -1.470 -0.000 -4.655) 4.881 1.352 ( 2.561 0.000 3.710) 4.508 1.683 ( -4.541 -0.000 2.391) 5.131 1.756 ( -7.510 -0.000 1.145) 7.597 1.871 ( -3.285 -0.000 0.443) 3.315 1.883 ( -5.390 -0.000 -2.020) 5.756 1.978 ( 0.427 0.000 -0.351) 0.552 2.041 ( -0.926 -0.000 0.897) 1.290 2.074 ( -1.314 -0.000 -2.375) 2.714 2.138 ( 3.904 0.000 -0.763) 3.978 2.518 ( -4.709 -0.000 -0.191) 4.713 2.587 ( -1.734 -0.000 -1.869) 2.550 2.831 ( 2.164 0.000 1.227) 2.488 3.045 ( -2.114 -0.000 -0.761) 2.247 3.267 ( 6.621 0.000 4.809) 8.183 3.572 ( 3.176 0.000 -3.705) 4.880 5.800 ( 1.149 0.000 1.779) 2.118 5.887 ( 2.146 0.000 -2.201) 3.074 6.203 ( 2.968 0.000 4.122) 5.080 6.216 ( 0.072 0.000 -1.511) 1.513 6.458 ( -2.761 -0.000 0.811) 2.877 6.548 ( -1.608 -0.000 -2.267) 2.779 6.987 ( -0.242 -0.000 1.046) 1.074 7.110 ( 1.383 0.000 -0.749) 1.573 ======================= Grid point 181 (81/160) ======================= q-point: ( 0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 1.178 -0.677 0.378) 1.410 0.741 ( -1.849 1.828 0.094) 2.602 0.855 ( 7.423 0.902 0.211) 7.480 0.928 ( 4.678 -1.233 -2.206) 5.317 1.053 ( 2.492 1.382 1.940) 3.447 1.162 ( -0.824 -2.637 -2.959) 4.048 1.326 ( 2.796 -1.181 -1.528) 3.398 1.428 ( 2.961 0.279 3.359) 4.487 1.619 ( -3.317 1.684 0.753) 3.796 1.650 ( -5.401 -0.518 1.950) 5.765 1.792 ( -3.755 1.258 -1.121) 4.116 1.807 ( -3.557 -0.351 0.041) 3.575 1.946 ( -3.812 -0.037 2.866) 4.770 2.030 ( -0.958 -0.514 1.130) 1.568 2.082 ( 2.196 -0.149 -2.135) 3.067 2.177 ( 0.791 0.313 -0.047) 0.852 2.346 ( -10.381 0.842 -2.113) 10.628 2.505 ( -6.652 -0.399 -0.678) 6.698 2.963 ( 7.397 0.479 4.194) 8.517 3.022 ( 0.908 0.334 -2.707) 2.875 3.401 ( 4.641 0.049 5.377) 7.103 3.577 ( 0.862 -0.632 -4.100) 4.237 5.832 ( 1.156 0.205 1.785) 2.137 5.915 ( 2.414 -0.220 -2.208) 3.279 6.214 ( 0.722 0.093 -1.698) 1.848 6.268 ( 1.463 0.735 3.164) 3.563 6.421 ( -2.383 -0.644 1.764) 3.034 6.512 ( -0.631 -0.134 -1.860) 1.968 6.990 ( -0.284 -0.075 1.040) 1.080 7.122 ( 0.653 0.073 -0.910) 1.122 ======================= Grid point 182 (82/160) ======================= q-point: ( 0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.051 3.277 0.468) 3.311 0.735 ( 2.609 -4.239 -0.526) 5.005 0.947 ( -0.757 -0.832 2.850) 3.064 0.999 ( 7.998 -1.575 -2.804) 8.621 1.091 ( 3.284 2.008 -0.880) 3.949 1.203 ( 4.504 -3.347 -4.353) 7.102 1.398 ( 5.299 0.141 -1.363) 5.474 1.451 ( -0.312 2.151 0.556) 2.244 1.574 ( -1.774 0.593 -0.602) 1.964 1.595 ( -3.118 0.256 2.409) 3.948 1.729 ( -1.123 1.723 -0.143) 2.061 1.757 ( -3.311 -0.177 0.924) 3.442 1.912 ( -2.249 -1.203 2.413) 3.511 2.028 ( -2.023 0.313 2.306) 3.084 2.088 ( -2.363 0.678 -0.233) 2.470 2.145 ( -2.628 -0.034 0.327) 2.648 2.217 ( -0.789 -0.199 -1.247) 1.490 2.387 ( -6.139 -0.529 -0.088) 6.162 3.009 ( 0.438 1.542 -2.114) 2.653 3.079 ( 3.161 0.475 1.582) 3.567 3.468 ( 0.770 2.348 2.888) 3.801 3.600 ( 2.236 -3.399 -0.526) 4.102 5.852 ( 0.515 1.134 1.028) 1.614 5.937 ( 1.103 -0.838 -1.872) 2.329 6.211 ( 0.481 0.607 -1.808) 1.967 6.272 ( -1.338 0.870 1.263) 2.035 6.414 ( -1.087 -1.089 2.102) 2.605 6.517 ( 1.800 -0.309 -0.378) 1.865 6.993 ( -0.360 -0.248 1.345) 1.414 7.121 ( 0.169 0.128 -1.152) 1.171 ======================= Grid point 183 (83/160) ======================= q-point: (-0.56 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -0.089 4.057 2.259) 4.644 0.818 ( 1.190 -2.142 1.298) 2.773 0.975 ( 1.184 -4.782 1.262) 5.086 1.095 ( 0.005 0.761 1.583) 1.757 1.151 ( 6.870 1.066 -3.529) 7.796 1.259 ( 3.604 0.291 -3.460) 5.005 1.434 ( -0.455 1.542 -2.814) 3.241 1.444 ( 4.517 2.088 -4.782) 6.901 1.548 ( 0.061 0.622 0.768) 0.990 1.582 ( 1.791 -0.656 1.951) 2.729 1.694 ( -4.370 -0.462 0.026) 4.395 1.720 ( -0.938 -0.549 2.757) 2.964 1.896 ( -4.206 0.385 1.561) 4.503 1.981 ( -2.253 -1.637 3.119) 4.181 2.025 ( -2.653 2.271 -0.323) 3.508 2.115 ( -2.946 0.530 1.868) 3.528 2.280 ( 6.854 -1.534 -1.793) 7.249 2.352 ( 1.919 -1.262 0.967) 2.492 2.965 ( -2.403 2.278 -1.246) 3.538 3.096 ( -1.140 -1.262 -0.950) 1.948 3.455 ( -0.679 3.566 2.241) 4.266 3.665 ( 0.709 -3.174 0.812) 3.352 5.841 ( -0.729 1.798 0.221) 1.952 5.943 ( -0.271 -1.299 -1.268) 1.835 6.184 ( -1.741 1.620 -0.901) 2.543 6.261 ( 0.372 -0.380 0.558) 0.771 6.424 ( -0.326 -1.133 1.307) 1.760 6.558 ( 2.488 -0.260 -0.078) 2.502 7.000 ( -0.494 -0.467 1.746) 1.874 7.112 ( -0.039 0.234 -1.412) 1.432 ======================= Grid point 184 (84/160) ======================= q-point: (-0.44 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.209 5.236 4.225) 6.731 0.827 ( -1.514 0.851 2.556) 3.090 0.996 ( -7.488 7.152 -0.526) 10.368 1.041 ( -0.592 -2.272 -0.392) 2.381 1.169 ( 0.442 0.205 -2.401) 2.450 1.310 ( 2.957 -0.285 -1.874) 3.512 1.425 ( 6.058 2.744 -5.817) 8.836 1.486 ( 2.215 -1.239 0.486) 2.584 1.532 ( -4.101 -0.580 2.139) 4.662 1.643 ( -0.872 -1.142 0.207) 1.451 1.663 ( 3.246 -1.129 2.161) 4.060 1.751 ( 0.034 0.809 2.100) 2.251 1.847 ( 2.466 -0.388 1.930) 3.156 1.970 ( -0.502 1.846 -1.225) 2.271 1.992 ( -1.763 -3.713 -0.275) 4.119 2.078 ( -1.638 0.258 2.271) 2.812 2.401 ( 7.463 0.092 -1.667) 7.647 2.463 ( 6.618 -0.980 0.584) 6.715 2.897 ( -1.829 1.261 0.079) 2.223 3.062 ( -3.981 -3.090 -1.669) 5.309 3.417 ( -2.011 3.862 2.793) 5.173 3.666 ( -3.141 -1.558 -0.785) 3.593 5.809 ( -1.252 1.572 0.260) 2.027 5.934 ( -0.981 -1.117 -1.048) 1.819 6.129 ( -2.478 1.445 0.223) 2.877 6.294 ( 2.027 -0.633 0.975) 2.336 6.434 ( -0.403 -1.338 0.323) 1.435 6.598 ( 2.227 -0.114 -0.868) 2.393 7.006 ( -0.827 -0.725 1.936) 2.226 7.098 ( -0.177 0.406 -1.559) 1.620 ======================= Grid point 185 (85/160) ======================= q-point: (-0.33 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 0.083 6.866 5.300) 8.675 0.712 ( -9.349 10.373 -3.248) 14.337 0.837 ( -1.967 3.218 4.005) 5.502 0.991 ( -2.820 0.671 -2.023) 3.535 1.149 ( -6.567 -0.527 6.364) 9.160 1.316 ( -0.720 0.602 -1.473) 1.746 1.391 ( -6.440 -0.559 0.859) 6.521 1.542 ( 5.886 -0.086 -1.225) 6.013 1.566 ( 1.724 -1.381 -1.530) 2.687 1.641 ( 0.647 -1.869 3.979) 4.443 1.746 ( 3.030 -0.166 0.645) 3.103 1.768 ( 5.498 0.661 -0.401) 5.552 1.923 ( -0.661 1.404 -0.851) 1.770 1.984 ( 0.546 -2.622 -2.467) 3.641 2.022 ( 7.318 -2.723 1.099) 7.885 2.101 ( 3.245 -0.564 1.319) 3.548 2.501 ( 2.052 1.380 -2.084) 3.234 2.509 ( 1.765 1.060 0.684) 2.170 2.947 ( 7.604 -1.305 1.030) 7.783 2.989 ( -5.975 -2.970 -2.460) 7.111 3.360 ( -3.639 2.803 3.290) 5.650 3.575 ( -6.763 -0.149 -2.656) 7.267 5.780 ( -1.043 1.102 0.454) 1.584 5.918 ( -1.044 -0.812 -0.976) 1.644 6.086 ( -1.787 1.199 1.605) 2.685 6.342 ( 1.700 -1.108 0.266) 2.047 6.437 ( -0.392 -0.969 0.239) 1.072 6.622 ( 1.573 0.035 -1.766) 2.365 7.007 ( -1.260 -1.002 1.724) 2.359 7.080 ( -0.241 0.505 -1.468) 1.571 ======================= Grid point 186 (86/160) ======================= q-point: (-0.22 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( -8.908 9.981 0.641) 13.394 0.589 ( 1.999 8.200 5.040) 9.830 0.815 ( -2.669 2.212 4.630) 5.784 0.954 ( -0.091 -0.753 -1.707) 1.868 1.034 ( -13.169 0.450 13.721) 19.023 1.262 ( -1.279 2.923 -0.919) 3.320 1.319 ( -5.321 -3.005 2.316) 6.535 1.524 ( -2.866 0.319 -1.732) 3.364 1.666 ( 6.907 -1.477 -0.026) 7.063 1.735 ( 3.269 -2.220 1.612) 4.268 1.807 ( 2.822 0.385 1.870) 3.407 1.854 ( 3.890 -1.434 -4.377) 6.029 1.929 ( 5.410 1.110 1.214) 5.654 1.986 ( 0.158 -0.339 -2.717) 2.743 2.103 ( 1.053 -1.145 -0.517) 1.639 2.263 ( 10.175 -2.139 -0.175) 10.399 2.410 ( -5.498 1.628 1.112) 5.841 2.569 ( 0.916 -0.434 -0.413) 1.095 2.892 ( -2.654 0.476 -3.081) 4.094 3.130 ( 9.746 -1.640 0.364) 9.890 3.290 ( -5.380 0.852 3.442) 6.444 3.418 ( -8.028 0.560 -3.721) 8.866 5.761 ( -0.552 0.772 0.394) 1.028 5.900 ( -0.860 -0.451 -0.988) 1.385 6.071 ( -0.589 0.857 2.788) 2.976 6.346 ( -1.631 -1.233 -2.568) 3.283 6.458 ( 1.386 -0.224 1.871) 2.339 6.627 ( 0.646 0.142 -2.251) 2.346 7.002 ( -1.661 -1.019 1.580) 2.508 7.064 ( 0.113 0.528 -1.303) 1.410 ======================= Grid point 187 (87/160) ======================= q-point: (-0.11 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 1.806 -3.275 9.669) 10.367 0.607 ( 3.314 7.193 5.866) 9.855 0.769 ( -2.533 1.675 2.423) 3.884 0.855 ( -12.518 0.741 11.463) 16.990 0.998 ( -0.180 -0.999 1.936) 2.186 1.248 ( -0.390 0.347 2.290) 2.349 1.270 ( -3.606 -1.360 2.478) 4.582 1.460 ( -2.117 0.920 -2.737) 3.580 1.776 ( 2.183 -1.556 0.408) 2.711 1.796 ( 1.673 -1.567 0.609) 2.372 1.850 ( 2.807 -0.997 0.544) 3.028 1.921 ( 5.314 -0.243 -3.441) 6.336 1.957 ( 0.130 1.108 -1.730) 2.058 2.036 ( 3.001 0.111 2.250) 3.753 2.095 ( -1.903 0.254 -0.864) 2.106 2.332 ( -1.962 -1.876 -1.415) 3.061 2.390 ( -0.676 0.885 -0.483) 1.214 2.529 ( 0.699 -0.674 -2.417) 2.605 2.928 ( 7.755 1.815 1.343) 8.077 3.154 ( -9.341 0.119 -3.479) 9.969 3.216 ( -5.551 -0.480 3.481) 6.570 3.376 ( 7.630 -0.649 -1.562) 7.815 5.756 ( 0.376 0.597 0.671) 0.974 5.884 ( -0.385 -0.128 -1.320) 1.381 6.087 ( 0.626 0.378 3.399) 3.477 6.294 ( -2.596 -0.443 -3.069) 4.044 6.491 ( 0.521 -0.056 1.534) 1.621 6.614 ( -0.235 0.134 -2.257) 2.274 6.990 ( -1.499 -0.406 1.771) 2.356 7.065 ( 1.314 0.218 -0.996) 1.663 ======================= Grid point 190 (88/160) ======================= q-point: ( 0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 5.361 0.000 -2.341) 5.850 0.709 ( -2.428 -0.000 0.945) 2.605 0.940 ( -1.748 -0.000 2.298) 2.887 0.986 ( 8.575 0.000 -2.893) 9.050 1.111 ( 0.684 0.000 -2.216) 2.320 1.167 ( 8.036 0.000 -2.432) 8.396 1.397 ( 5.910 0.000 -1.126) 6.017 1.472 ( -0.880 -0.000 1.510) 1.748 1.581 ( -2.150 -0.000 -1.012) 2.376 1.595 ( -2.614 -0.000 2.610) 3.694 1.747 ( -1.893 -0.000 -0.218) 1.906 1.753 ( -3.111 -0.000 0.580) 3.165 1.901 ( -2.494 -0.000 2.703) 3.678 2.030 ( -2.000 -0.000 2.614) 3.291 2.096 ( 0.449 0.000 -1.387) 1.458 2.143 ( -3.928 -0.000 0.079) 3.929 2.217 ( -2.178 -0.000 -0.791) 2.318 2.381 ( -6.303 -0.000 0.025) 6.303 3.024 ( 0.918 0.000 -2.759) 2.908 3.081 ( 2.322 0.000 2.308) 3.273 3.500 ( 2.517 0.000 5.516) 6.063 3.558 ( 1.008 0.000 -3.178) 3.334 5.864 ( 0.858 0.000 1.688) 1.894 5.928 ( 0.847 0.000 -2.491) 2.631 6.216 ( 0.979 0.000 -1.843) 2.087 6.280 ( -2.066 -0.000 0.958) 2.278 6.404 ( -0.943 -0.000 2.522) 2.693 6.514 ( 1.838 0.000 -0.455) 1.894 6.991 ( -0.393 -0.000 1.306) 1.364 7.122 ( 0.158 0.000 -1.116) 1.127 ======================= Grid point 191 (89/160) ======================= q-point: (-0.67 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.393 3.116 0.919) 3.273 0.785 ( 7.076 -2.038 0.845) 7.412 0.922 ( -2.089 -1.039 2.393) 3.342 1.087 ( 2.327 -0.935 1.694) 3.026 1.166 ( 7.837 0.487 -3.688) 8.675 1.260 ( 3.686 -0.017 -4.044) 5.471 1.439 ( -0.826 0.325 -1.124) 1.432 1.491 ( 5.409 1.409 -2.714) 6.213 1.550 ( 0.511 -0.026 -0.324) 0.606 1.578 ( -0.635 0.118 2.192) 2.286 1.691 ( -4.215 0.151 -0.454) 4.242 1.708 ( -3.566 -0.693 2.427) 4.369 1.906 ( 0.132 0.609 -0.458) 0.773 1.954 ( -6.076 -1.217 3.673) 7.203 2.058 ( -3.076 1.301 -0.401) 3.364 2.123 ( -2.704 0.209 1.825) 3.269 2.255 ( 7.491 -1.067 -1.284) 7.675 2.338 ( 1.403 -0.408 1.468) 2.071 3.001 ( -1.424 1.680 -2.015) 2.984 3.070 ( -3.508 -1.403 -1.196) 3.963 3.525 ( 0.397 4.454 2.515) 5.131 3.602 ( 0.999 -4.163 1.098) 4.420 5.872 ( -0.369 1.619 0.656) 1.785 5.918 ( -0.621 -1.432 -1.836) 2.410 6.214 ( -1.222 1.912 -0.868) 2.430 6.245 ( -0.392 -1.509 -0.331) 1.593 6.412 ( -0.380 -0.308 2.079) 2.136 6.555 ( 2.571 -0.131 -0.032) 2.575 6.994 ( -0.562 -0.172 1.732) 1.829 7.115 ( -0.004 0.082 -1.360) 1.363 ======================= Grid point 192 (90/160) ======================= q-point: (-0.56 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 1.009 3.488 0.718) 3.701 0.873 ( -0.288 3.635 6.602) 7.542 0.959 ( 2.351 -5.222 -0.607) 5.759 1.093 ( -2.612 3.244 2.214) 4.717 1.191 ( -2.294 1.867 -4.212) 5.147 1.294 ( 5.054 -1.247 -3.840) 6.468 1.460 ( 2.594 0.380 0.005) 2.622 1.484 ( -0.730 0.703 -2.478) 2.677 1.551 ( -0.718 3.316 0.553) 3.437 1.623 ( -1.011 -1.089 0.329) 1.522 1.646 ( 2.679 -0.526 2.348) 3.601 1.732 ( 4.002 -2.970 1.756) 5.284 1.858 ( -1.067 1.306 -0.018) 1.686 1.928 ( -2.475 -3.324 -0.577) 4.184 2.004 ( -1.117 1.763 -0.356) 2.118 2.078 ( -2.998 -0.334 2.195) 3.730 2.406 ( 8.817 0.416 -0.961) 8.879 2.443 ( 7.658 -1.243 1.197) 7.850 2.923 ( -3.419 1.886 -1.011) 4.034 3.009 ( -4.387 -3.034 -2.125) 5.742 3.490 ( -1.853 4.575 2.198) 5.404 3.627 ( -2.610 -3.016 0.327) 4.002 5.840 ( -1.189 2.041 -0.134) 2.366 5.910 ( -1.016 -1.749 -0.994) 2.253 6.154 ( -2.691 1.493 0.016) 3.077 6.277 ( 1.976 -1.242 -0.078) 2.335 6.419 ( -0.485 -0.489 1.283) 1.456 6.596 ( 2.268 -0.113 -0.612) 2.351 6.996 ( -0.945 -0.387 2.048) 2.289 7.103 ( -0.126 0.215 -1.552) 1.572 ======================= Grid point 193 (91/160) ======================= q-point: (-0.44 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.782 3.009 0.571) 3.161 0.837 ( -4.932 5.742 3.362) 8.283 0.947 ( -3.800 4.171 1.464) 5.829 1.005 ( -2.993 3.536 -0.878) 4.715 1.130 ( -3.832 -1.355 2.117) 4.583 1.316 ( -2.531 -0.354 -0.526) 2.610 1.390 ( -5.378 0.455 1.045) 5.497 1.527 ( 3.261 -1.625 0.215) 3.650 1.570 ( 4.538 1.819 -3.686) 6.123 1.622 ( -0.620 -0.705 3.994) 4.103 1.731 ( 5.239 -1.180 -0.125) 5.372 1.785 ( 1.917 1.025 -0.261) 2.190 1.918 ( 0.031 -3.557 -0.265) 3.567 1.956 ( 3.861 0.659 -1.594) 4.229 1.982 ( 4.540 -1.306 0.371) 4.738 2.083 ( 1.745 -1.655 1.286) 2.727 2.523 ( 5.939 1.073 -0.772) 6.085 2.530 ( -0.280 1.264 -0.625) 1.438 2.916 ( 3.520 -2.234 0.390) 4.187 2.948 ( -2.152 -1.663 -1.842) 3.285 3.415 ( -4.417 3.563 2.046) 6.032 3.563 ( -6.525 -1.330 -1.402) 6.806 5.804 ( -0.995 1.740 0.089) 2.006 5.899 ( -0.922 -1.382 -1.032) 1.956 6.107 ( -1.817 1.283 1.220) 2.537 6.318 ( 1.306 -1.599 -0.835) 2.227 6.425 ( 0.010 -0.406 1.522) 1.575 6.623 ( 1.613 0.044 -1.382) 2.125 6.994 ( -1.397 -0.592 2.077) 2.572 7.087 ( -0.227 0.331 -1.561) 1.611 ======================= Grid point 194 (92/160) ======================= q-point: (-0.33 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -7.179 10.291 -1.270) 12.612 0.687 ( 0.120 4.237 -0.059) 4.239 0.889 ( -2.578 5.767 6.244) 8.882 0.940 ( -1.101 -0.528 -2.189) 2.507 1.041 ( -11.812 0.424 10.801) 16.011 1.252 ( -6.397 -4.382 2.756) 8.229 1.325 ( -0.740 4.133 -0.954) 4.306 1.532 ( -2.490 0.666 -1.241) 2.861 1.630 ( 5.728 -3.024 -1.474) 6.642 1.699 ( 3.457 -1.916 1.026) 4.083 1.811 ( 0.864 0.143 2.399) 2.554 1.833 ( 5.769 -0.910 -2.892) 6.518 1.947 ( 4.155 0.700 0.305) 4.224 1.973 ( 1.761 -0.752 -2.622) 3.247 2.080 ( 2.020 -1.363 0.388) 2.468 2.220 ( 9.195 -2.874 -0.091) 9.634 2.441 ( -5.599 1.974 0.016) 5.937 2.560 ( -1.476 -0.708 -0.727) 1.791 2.908 ( 1.873 1.478 -1.562) 2.852 3.094 ( 9.751 -2.615 0.351) 10.101 3.311 ( -6.597 1.579 1.922) 7.050 3.422 ( -8.333 -0.174 -2.745) 8.775 5.780 ( -0.439 1.384 0.234) 1.471 5.889 ( -0.551 -0.866 -1.103) 1.507 6.088 ( -0.696 1.080 2.369) 2.695 6.321 ( -1.164 -1.594 -2.582) 3.250 6.454 ( 1.350 -0.190 2.428) 2.784 6.631 ( 0.664 0.232 -1.940) 2.064 6.987 ( -1.512 -0.702 1.996) 2.600 7.072 ( 0.059 0.390 -1.399) 1.454 ======================= Grid point 195 (93/160) ======================= q-point: (-0.22 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -4.052 8.034 2.962) 9.473 0.697 ( 2.942 3.407 1.707) 4.814 0.807 ( -7.580 2.686 5.996) 10.031 0.879 ( -7.709 2.275 5.133) 9.537 0.979 ( 0.108 -1.204 4.118) 4.292 1.205 ( -6.263 -4.326 3.515) 8.384 1.294 ( 1.202 3.130 0.951) 3.485 1.478 ( -1.622 1.144 -1.742) 2.641 1.735 ( 3.355 -3.751 -1.172) 5.167 1.754 ( 0.062 -2.987 -0.459) 3.023 1.838 ( 2.082 0.000 1.646) 2.654 1.920 ( 4.862 0.114 -1.654) 5.136 1.978 ( 1.689 1.188 -2.475) 3.223 2.026 ( 1.992 -1.232 0.891) 2.506 2.104 ( -0.297 0.811 0.663) 1.089 2.296 ( -2.988 -2.390 -2.791) 4.736 2.404 ( 0.970 0.900 1.291) 1.849 2.513 ( 0.689 -1.213 -1.993) 2.433 2.972 ( 7.581 3.377 1.134) 8.377 3.155 ( -8.618 0.024 -2.592) 9.000 3.208 ( -5.430 -0.350 2.596) 6.029 3.355 ( 6.067 -1.820 -2.031) 6.652 5.771 ( 0.352 1.057 0.495) 1.219 5.880 ( -0.110 -0.315 -1.334) 1.375 6.096 ( 0.445 0.692 3.056) 3.164 6.283 ( -2.051 -0.784 -2.849) 3.597 6.489 ( 0.531 -0.082 1.955) 2.028 6.618 ( -0.327 0.242 -2.125) 2.164 6.982 ( -1.131 -0.497 1.935) 2.295 7.069 ( 1.042 0.252 -1.145) 1.569 ======================= Grid point 196 (94/160) ======================= q-point: (-0.11 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 5.773 -3.766 7.967) 10.535 0.686 ( -8.171 1.860 12.723) 15.234 0.763 ( 4.790 0.917 -3.439) 5.968 0.786 ( -3.037 1.896 2.407) 4.314 1.018 ( 0.924 0.744 2.562) 2.823 1.165 ( -4.259 -3.371 3.205) 6.307 1.316 ( 1.954 1.452 2.094) 3.211 1.431 ( -0.681 2.282 -2.827) 3.697 1.731 ( -3.816 -1.764 -0.649) 4.254 1.789 ( -1.303 -3.826 0.421) 4.064 1.904 ( 2.131 -1.053 2.493) 3.445 1.926 ( -1.606 0.993 0.051) 1.889 1.998 ( -3.569 -0.038 -1.462) 3.857 2.025 ( 3.975 0.603 -3.686) 5.454 2.088 ( -0.672 0.310 1.429) 1.609 2.190 ( -6.576 -0.378 -2.978) 7.229 2.449 ( 4.583 -0.656 1.076) 4.753 2.583 ( 4.784 0.095 -1.541) 5.027 2.949 ( -10.047 0.460 -3.068) 10.515 3.078 ( 0.332 1.014 2.180) 2.427 3.154 ( 1.894 0.186 2.453) 3.105 3.488 ( 7.002 -1.486 -2.142) 7.471 5.780 ( 0.908 0.625 1.008) 1.494 5.877 ( 0.877 0.053 -1.736) 1.946 6.132 ( 1.735 0.109 3.523) 3.929 6.239 ( -1.340 -0.127 -2.213) 2.590 6.493 ( -1.282 0.190 1.234) 1.790 6.589 ( -1.170 0.141 -2.135) 2.439 6.983 ( -0.464 -0.174 1.548) 1.626 7.086 ( 1.694 -0.038 -0.889) 1.914 ======================= Grid point 200 (95/160) ======================= q-point: (-0.67 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.533 0.000 0.142) 0.552 0.902 ( 1.496 0.000 -0.918) 1.755 0.912 ( 2.305 0.000 6.496) 6.893 1.118 ( -0.492 -0.000 4.134) 4.163 1.211 ( -4.565 -0.000 -4.232) 6.225 1.280 ( 7.459 0.000 -4.862) 8.904 1.461 ( 3.074 0.000 -0.854) 3.191 1.489 ( -4.788 -0.000 0.394) 4.804 1.599 ( 2.101 0.000 -1.445) 2.550 1.611 ( -0.015 -0.000 1.062) 1.062 1.658 ( -2.318 -0.000 4.699) 5.240 1.677 ( 7.717 0.000 -1.364) 7.836 1.881 ( -2.876 -0.000 -2.729) 3.965 1.887 ( -1.353 -0.000 1.632) 2.120 2.022 ( -0.917 -0.000 -0.085) 0.921 2.072 ( -4.091 -0.000 2.033) 4.569 2.412 ( 10.908 0.000 -1.479) 11.007 2.429 ( 6.566 0.000 2.283) 6.952 2.957 ( -6.102 -0.000 -1.936) 6.401 2.965 ( -2.378 -0.000 -1.799) 2.982 3.565 ( -2.739 -0.000 4.023) 4.867 3.567 ( -1.527 -0.000 -1.324) 2.021 5.873 ( -1.267 -0.000 0.646) 1.422 5.879 ( -0.925 -0.000 -1.884) 2.099 6.170 ( -3.147 -0.000 0.039) 3.147 6.263 ( 2.352 0.000 -0.685) 2.450 6.415 ( -0.561 -0.000 1.757) 1.844 6.595 ( 2.305 0.000 -0.535) 2.367 6.993 ( -0.973 -0.000 2.087) 2.303 7.105 ( -0.106 -0.000 -1.551) 1.555 ======================= Grid point 202 (96/160) ======================= q-point: (-0.56 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 0.274 1.649 -0.258) 1.692 0.902 ( -2.328 1.110 4.465) 5.156 0.946 ( -2.067 -0.265 -0.366) 2.116 1.092 ( -4.588 3.161 2.341) 6.044 1.116 ( -3.050 -0.169 0.011) 3.054 1.314 ( -5.069 0.080 -1.252) 5.222 1.400 ( -0.821 0.490 -0.432) 1.049 1.502 ( 1.404 -1.090 0.034) 1.778 1.602 ( -0.152 1.107 -0.465) 1.210 1.616 ( 1.524 0.328 1.576) 2.217 1.715 ( 5.098 -0.554 0.794) 5.189 1.804 ( 1.770 1.524 -0.853) 2.487 1.849 ( 3.140 -3.786 -0.624) 4.958 1.950 ( 8.047 -0.615 -0.292) 8.076 2.003 ( -0.593 2.494 -0.216) 2.573 2.047 ( 0.221 -2.466 0.812) 2.606 2.536 ( 3.687 0.469 1.448) 3.988 2.545 ( 3.444 0.508 -2.832) 4.488 2.886 ( 0.803 -1.061 -0.236) 1.351 2.930 ( 0.137 -0.531 -1.234) 1.350 3.474 ( -5.297 3.263 0.223) 6.226 3.530 ( -6.004 -2.408 0.429) 6.483 5.836 ( -1.088 1.960 -0.200) 2.250 5.871 ( -0.711 -1.808 -0.939) 2.157 6.125 ( -1.990 0.655 0.950) 2.300 6.295 ( 1.386 -0.850 -1.434) 2.168 6.422 ( 0.048 -0.066 2.234) 2.235 6.624 ( 1.673 0.011 -1.167) 2.039 6.987 ( -1.435 -0.195 2.230) 2.659 7.091 ( -0.207 0.118 -1.621) 1.639 ======================= Grid point 203 (97/160) ======================= q-point: (-0.44 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.889 2.218 0.173) 2.396 0.793 ( -6.485 6.917 -0.645) 9.503 0.921 ( -0.503 -0.434 -1.353) 1.508 0.989 ( -6.385 3.777 5.469) 9.217 1.053 ( -6.839 1.249 4.322) 8.186 1.179 ( -9.680 -3.877 4.047) 11.185 1.397 ( 1.585 4.120 -1.962) 4.830 1.543 ( -0.510 -0.376 -0.085) 0.639 1.575 ( 1.232 -2.119 -1.244) 2.748 1.660 ( 1.213 -2.814 -1.048) 3.239 1.815 ( 2.807 0.126 1.290) 3.092 1.827 ( 5.343 0.323 0.198) 5.357 1.936 ( 4.865 -1.228 -2.305) 5.522 1.981 ( 0.508 0.929 0.009) 1.059 2.062 ( 3.514 -0.549 0.518) 3.595 2.171 ( 9.500 -2.660 -0.415) 9.874 2.474 ( -5.632 1.764 -1.374) 6.060 2.544 ( -3.443 -1.046 -0.425) 3.624 2.942 ( 5.765 2.490 -0.398) 6.292 3.044 ( 9.604 -3.153 0.360) 10.114 3.339 ( -7.941 1.600 -0.033) 8.100 3.413 ( -8.448 -0.735 -1.141) 8.557 5.806 ( -0.621 1.579 -0.029) 1.697 5.871 ( -0.092 -1.195 -1.037) 1.585 6.105 ( -0.783 0.847 1.958) 2.272 6.296 ( -0.652 -1.208 -2.507) 2.858 6.452 ( 1.222 -0.083 2.849) 3.101 6.634 ( 0.677 0.151 -1.697) 1.834 6.979 ( -1.469 -0.349 2.193) 2.662 7.077 ( 0.046 0.212 -1.512) 1.528 ======================= Grid point 204 (98/160) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -6.160 10.957 -1.447) 12.653 0.732 ( 2.202 1.178 -0.335) 2.519 0.857 ( -11.095 3.209 10.433) 15.564 0.919 ( -2.190 1.412 -0.293) 2.622 0.966 ( -1.087 0.236 3.362) 3.541 1.119 ( -6.318 -5.596 4.100) 9.383 1.362 ( 0.412 4.736 -0.520) 4.783 1.499 ( -1.330 1.453 -0.820) 2.134 1.656 ( 2.463 -5.255 -0.691) 5.844 1.688 ( -0.469 -4.861 -2.492) 5.483 1.853 ( 2.099 1.627 2.325) 3.529 1.923 ( 5.254 0.207 -0.980) 5.349 1.990 ( 0.451 -0.359 -0.669) 0.884 2.003 ( 2.955 -0.806 -1.082) 3.248 2.118 ( 1.232 0.767 1.234) 1.905 2.256 ( -2.678 -2.153 -3.225) 4.713 2.421 ( 0.857 1.066 1.076) 1.740 2.490 ( 0.912 -1.479 -1.314) 2.178 3.036 ( 7.322 3.897 1.153) 8.374 3.153 ( -6.986 -0.368 -1.289) 7.113 3.207 ( -4.933 0.296 1.162) 5.077 3.316 ( 3.507 -2.770 -2.217) 4.988 5.790 ( 0.131 1.168 0.181) 1.190 5.873 ( 0.332 -0.493 -1.210) 1.349 6.109 ( 0.232 0.734 2.587) 2.700 6.269 ( -1.419 -0.824 -2.549) 3.032 6.488 ( 0.561 -0.049 2.431) 2.496 6.622 ( -0.459 0.223 -1.978) 2.042 6.975 ( -0.910 -0.370 2.066) 2.287 7.073 ( 0.850 0.176 -1.307) 1.569 ======================= Grid point 205 (99/160) ======================= q-point: (-0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 1.473 4.305 4.222) 6.207 0.714 ( -8.249 1.743 9.096) 12.403 0.789 ( 4.125 2.049 0.878) 4.688 0.822 ( -4.816 2.202 -0.103) 5.297 1.026 ( 2.479 0.019 2.600) 3.592 1.098 ( -3.239 -4.362 3.248) 6.330 1.346 ( 1.360 2.199 0.390) 2.615 1.468 ( 0.004 2.073 -1.100) 2.347 1.683 ( -2.742 -4.005 -2.925) 5.667 1.713 ( -1.030 -4.895 0.661) 5.045 1.895 ( 1.625 0.163 1.689) 2.349 1.945 ( -2.547 0.965 0.310) 2.741 1.996 ( -1.177 -0.140 0.050) 1.187 2.031 ( 1.408 -0.044 -1.481) 2.044 2.096 ( -0.570 0.649 -0.518) 1.008 2.178 ( -4.716 -1.036 -2.280) 5.340 2.434 ( 2.174 -1.040 -0.317) 2.431 2.587 ( 6.230 0.404 -0.620) 6.274 2.958 ( -9.848 0.649 -1.951) 10.061 3.079 ( -5.424 -0.859 0.737) 5.541 3.180 ( 6.454 2.836 2.260) 7.403 3.455 ( 7.550 -2.367 -1.672) 8.087 5.792 ( 0.670 0.735 0.528) 1.126 5.877 ( 1.090 0.045 -1.445) 1.810 6.135 ( 1.267 0.193 2.896) 3.167 6.236 ( -1.024 -0.236 -2.059) 2.311 6.497 ( -1.071 0.271 1.776) 2.092 6.592 ( -1.268 0.151 -2.010) 2.381 6.980 ( -0.292 -0.197 1.724) 1.760 7.086 ( 1.536 -0.044 -1.090) 1.884 ======================= Grid point 206 (100/160) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 7.047 -1.514 4.617) 8.560 0.665 ( -3.039 -0.503 6.763) 7.432 0.743 ( -1.449 0.630 2.171) 2.685 0.872 ( 6.477 1.235 -1.901) 6.862 1.046 ( -0.795 0.760 2.476) 2.710 1.142 ( 2.794 -1.416 1.318) 3.398 1.368 ( 1.850 0.447 0.900) 2.106 1.439 ( 0.167 3.924 -2.238) 4.520 1.627 ( -4.871 -2.910 -1.378) 5.839 1.710 ( -4.326 -3.279 1.151) 5.549 1.855 ( -5.363 -0.317 1.610) 5.608 1.887 ( -5.771 0.007 -2.275) 6.203 1.954 ( -1.408 -0.044 2.686) 3.033 2.044 ( 1.568 -0.004 -0.634) 1.691 2.096 ( -0.137 0.747 -2.119) 2.251 2.141 ( 1.647 -0.173 -0.934) 1.902 2.447 ( -3.989 -2.400 -0.681) 4.705 2.619 ( -2.999 0.625 -0.684) 3.139 2.848 ( 1.197 0.860 0.413) 1.531 3.017 ( -2.224 -1.762 -1.514) 3.216 3.296 ( 6.107 1.833 4.209) 7.640 3.560 ( 4.540 -0.715 -2.329) 5.153 5.805 ( 0.812 0.219 0.824) 1.177 5.894 ( 2.152 0.315 -1.553) 2.673 6.187 ( 2.072 -0.743 3.067) 3.775 6.215 ( -0.015 -0.035 -1.590) 1.590 6.474 ( -2.202 0.764 1.603) 2.829 6.552 ( -1.539 0.197 -2.040) 2.563 6.988 ( -0.097 0.028 1.308) 1.312 7.106 ( 1.381 -0.201 -0.960) 1.694 ======================= Grid point 211 (101/160) ======================= q-point: (-0.56 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.889 0.000 0.190) 0.909 0.857 ( -5.787 -0.000 0.401) 5.801 0.917 ( 0.397 0.000 -0.931) 1.012 1.016 ( -7.576 -0.000 6.345) 9.882 1.073 ( -3.933 -0.000 0.038) 3.934 1.141 ( -12.801 -0.000 4.576) 13.594 1.448 ( 4.806 0.000 -4.051) 6.286 1.507 ( 0.430 0.000 0.959) 1.051 1.585 ( -2.542 -0.000 2.266) 3.406 1.621 ( -0.795 -0.000 -4.010) 4.088 1.815 ( 5.418 0.000 0.896) 5.492 1.834 ( 3.533 0.000 1.018) 3.677 1.924 ( 6.052 0.000 -2.598) 6.586 1.988 ( -1.405 -0.000 1.518) 2.068 2.061 ( 3.832 0.000 -0.571) 3.874 2.144 ( 10.722 0.000 -0.432) 10.731 2.493 ( -5.534 -0.000 -2.809) 6.206 2.532 ( -4.275 -0.000 0.623) 4.320 2.986 ( 6.371 0.000 0.294) 6.377 2.994 ( 10.386 0.000 0.089) 10.387 3.356 ( -8.802 -0.000 -1.685) 8.962 3.404 ( -8.162 -0.000 0.391) 8.171 5.824 ( -1.205 -0.000 -0.154) 1.215 5.856 ( 0.587 0.000 -0.974) 1.137 6.113 ( -0.841 -0.000 1.780) 1.968 6.285 ( -0.410 -0.000 -2.457) 2.491 6.451 ( 1.155 0.000 2.999) 3.213 6.635 ( 0.684 0.000 -1.602) 1.742 6.976 ( -1.464 -0.000 2.252) 2.686 7.079 ( 0.042 0.000 -1.561) 1.561 ======================= Grid point 213 (102/160) ======================= q-point: (-0.44 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -4.807 6.047 -1.678) 7.905 0.745 ( 0.251 0.491 0.443) 0.708 0.908 ( -10.598 2.104 10.866) 15.323 0.924 ( -0.607 0.698 -0.835) 1.246 0.970 ( -3.115 -1.726 -1.719) 3.955 1.036 ( -5.957 -2.713 6.000) 8.879 1.453 ( 1.118 5.921 -1.984) 6.344 1.532 ( -1.341 2.431 0.280) 2.790 1.563 ( 1.806 -5.593 -1.554) 6.079 1.600 ( -1.611 -4.901 -1.949) 5.515 1.883 ( 2.724 1.358 2.117) 3.708 1.927 ( 5.563 0.156 -0.795) 5.622 1.967 ( -1.024 -1.243 0.244) 1.628 2.004 ( 3.388 0.135 -1.377) 3.660 2.128 ( 2.643 0.314 0.933) 2.820 2.229 ( -2.543 -0.876 -3.488) 4.405 2.440 ( -1.230 1.099 0.132) 1.655 2.465 ( 2.788 -1.296 -0.336) 3.093 3.095 ( 5.746 2.670 1.522) 6.516 3.141 ( -3.946 -1.011 0.058) 4.073 3.220 ( -0.741 1.266 -0.748) 1.647 3.268 ( -2.481 -2.516 -2.061) 4.091 5.806 ( -0.275 0.611 -0.165) 0.690 5.865 ( 0.861 -0.339 -0.976) 1.344 6.118 ( 0.066 0.337 2.235) 2.261 6.258 ( -0.984 -0.377 -2.309) 2.538 6.488 ( 0.589 -0.011 2.731) 2.794 6.625 ( -0.548 0.088 -1.876) 1.956 6.970 ( -0.823 -0.135 2.138) 2.295 7.075 ( 0.755 0.062 -1.411) 1.601 ======================= Grid point 214 (103/160) ======================= q-point: (-0.33 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -2.740 7.693 -0.160) 8.168 0.745 ( -4.455 1.560 4.728) 6.682 0.820 ( -1.073 1.242 6.759) 6.956 0.849 ( -5.602 0.488 -0.469) 5.642 1.018 ( 2.470 -0.893 2.155) 3.397 1.030 ( 0.234 -3.011 2.733) 4.073 1.399 ( 0.152 4.246 -1.656) 4.560 1.505 ( 0.310 2.415 0.084) 2.436 1.596 ( -2.127 -6.064 -3.239) 7.197 1.630 ( -0.106 -4.765 0.385) 4.782 1.907 ( -0.437 1.062 0.593) 1.293 1.955 ( -0.602 0.208 -0.218) 0.673 1.995 ( 0.699 0.019 1.525) 1.678 2.022 ( -1.225 -0.825 0.344) 1.516 2.112 ( -0.881 1.223 -1.799) 2.347 2.158 ( -3.116 -1.301 -2.096) 3.975 2.417 ( 0.738 -0.792 -0.743) 1.313 2.594 ( 7.219 0.369 -0.532) 7.248 2.970 ( -9.715 0.705 -0.499) 9.753 3.060 ( -7.377 -1.148 -0.631) 7.493 3.236 ( 6.687 3.289 1.428) 7.588 3.411 ( 8.525 -2.637 -0.881) 8.967 5.803 ( 0.391 0.497 -0.006) 0.632 5.878 ( 1.349 0.019 -1.100) 1.741 6.138 ( 0.809 0.166 2.328) 2.470 6.232 ( -0.716 -0.209 -1.838) 1.983 6.501 ( -0.856 0.208 2.230) 2.398 6.594 ( -1.378 0.092 -1.913) 2.359 6.977 ( -0.152 -0.128 1.870) 1.881 7.085 ( 1.408 -0.029 -1.257) 1.888 ======================= Grid point 215 (104/160) ======================= q-point: (-0.22 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 6.001 1.113 3.703) 7.139 0.683 ( -4.029 1.991 4.533) 6.384 0.764 ( -2.719 1.660 4.497) 5.511 0.888 ( 5.220 0.569 0.805) 5.312 1.050 ( 1.569 -0.124 0.781) 1.757 1.123 ( 4.395 -0.975 1.563) 4.765 1.378 ( 0.593 0.875 -0.679) 1.256 1.493 ( 0.405 2.497 -0.756) 2.640 1.570 ( -3.314 -3.818 -2.519) 5.649 1.646 ( -2.695 -3.771 0.886) 4.719 1.851 ( -5.192 -0.214 0.880) 5.270 1.894 ( -5.865 0.951 -1.234) 6.068 1.957 ( -4.071 0.059 2.431) 4.742 2.039 ( 2.549 -0.607 -0.384) 2.648 2.107 ( 0.182 0.571 -1.978) 2.066 2.136 ( 1.819 -0.337 -1.246) 2.231 2.414 ( -3.661 -1.479 -0.140) 3.951 2.625 ( -4.033 0.112 -0.635) 4.084 2.866 ( 0.631 1.229 -0.082) 1.385 2.981 ( -2.174 -2.326 -1.905) 3.711 3.331 ( 5.110 2.129 3.102) 6.346 3.546 ( 5.948 -0.922 -0.877) 6.083 5.809 ( 0.539 0.173 0.107) 0.576 5.899 ( 2.143 0.290 -1.124) 2.437 6.175 ( 1.412 -0.607 2.278) 2.748 6.215 ( -0.006 -0.015 -1.477) 1.477 6.487 ( -1.894 0.674 2.051) 2.872 6.555 ( -1.480 0.140 -1.855) 2.377 6.988 ( 0.028 0.027 1.527) 1.528 7.103 ( 1.375 -0.177 -1.144) 1.797 ======================= Grid point 216 (105/160) ======================= q-point: (-0.11 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -2.714 -0.364 -0.224) 2.747 0.736 ( 8.248 2.217 3.570) 9.257 0.824 ( 4.189 -0.892 8.420) 9.447 0.976 ( 5.959 1.406 -1.276) 6.254 1.069 ( 1.807 2.772 -2.242) 3.997 1.217 ( 5.486 -0.158 -0.467) 5.508 1.374 ( -3.117 -2.989 -0.869) 4.405 1.431 ( -1.058 2.963 -3.429) 4.654 1.560 ( 0.802 -0.671 0.453) 1.140 1.619 ( -4.185 -2.489 1.564) 5.114 1.754 ( -6.811 -0.374 -0.364) 6.831 1.796 ( -3.236 -0.496 1.120) 3.460 1.929 ( -1.363 -1.360 0.684) 2.043 2.070 ( -1.689 1.378 1.854) 2.861 2.093 ( 2.110 0.373 -1.714) 2.744 2.160 ( 0.670 -0.292 -0.301) 0.790 2.305 ( -8.539 -0.834 -0.588) 8.600 2.510 ( -7.615 -0.513 -0.073) 7.632 2.933 ( 4.907 -0.800 1.315) 5.143 2.984 ( 1.772 -1.788 -2.759) 3.735 3.407 ( 2.233 0.509 3.431) 4.125 3.620 ( 3.846 1.377 -0.755) 4.154 5.819 ( 0.410 -0.406 0.242) 0.626 5.929 ( 2.412 0.409 -1.162) 2.708 6.206 ( 0.160 -0.490 -1.077) 1.194 6.225 ( 1.124 -1.070 1.546) 2.190 6.460 ( -1.802 1.136 2.307) 3.141 6.522 ( -0.471 0.371 -1.576) 1.686 6.996 ( -0.110 0.233 1.348) 1.373 7.116 ( 0.772 -0.225 -1.141) 1.396 ======================= Grid point 222 (106/160) ======================= q-point: ( 0.56 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( -4.583 -0.000 -1.166) 4.729 0.754 ( -2.127 -0.000 -0.165) 2.133 0.828 ( -2.197 -0.000 2.081) 3.026 0.844 ( -8.126 -0.000 10.817) 13.529 1.007 ( 0.536 0.000 2.017) 2.087 1.008 ( 4.605 0.000 0.925) 4.697 1.484 ( -1.977 -0.000 -1.841) 2.701 1.494 ( -0.511 -0.000 -3.883) 3.916 1.553 ( -0.719 -0.000 1.269) 1.458 1.560 ( 1.611 0.000 -0.384) 1.657 1.920 ( -3.201 -0.000 -0.601) 3.257 1.954 ( 3.569 0.000 0.748) 3.647 1.996 ( 1.350 0.000 1.392) 1.940 2.013 ( -3.534 -0.000 0.930) 3.654 2.134 ( -1.471 -0.000 -4.275) 4.521 2.135 ( -2.110 -0.000 0.178) 2.117 2.410 ( 0.322 0.000 -0.767) 0.832 2.598 ( 7.539 0.000 -0.633) 7.565 2.977 ( -9.520 -0.000 0.514) 9.534 3.049 ( -8.081 -0.000 -1.595) 8.237 3.271 ( 5.838 0.000 0.806) 5.893 3.382 ( 9.608 0.000 -0.267) 9.611 5.807 ( 0.254 0.000 -0.258) 0.362 5.878 ( 1.479 0.000 -0.929) 1.747 6.140 ( 0.610 0.000 2.092) 2.179 6.230 ( -0.579 -0.000 -1.720) 1.815 6.503 ( -0.765 -0.000 2.403) 2.522 6.595 ( -1.427 -0.000 -1.879) 2.359 6.976 ( -0.099 -0.000 1.926) 1.928 7.085 ( 1.360 0.000 -1.321) 1.896 ======================= Grid point 224 (107/160) ======================= q-point: (-0.33 0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 0.971 1.526 1.221) 2.182 0.711 ( -1.545 0.987 1.923) 2.657 0.790 ( -4.181 1.134 7.705) 8.840 0.886 ( 5.026 -0.648 3.485) 6.150 1.055 ( 4.241 0.739 -0.728) 4.366 1.106 ( 4.891 -0.831 1.723) 5.251 1.405 ( -2.422 2.257 -1.837) 3.786 1.487 ( -2.561 -3.811 -1.928) 4.980 1.539 ( 0.773 1.364 -0.014) 1.568 1.595 ( -0.025 -2.102 0.026) 2.102 1.848 ( -4.720 -0.097 0.220) 4.726 1.919 ( -6.015 1.800 -0.345) 6.288 1.948 ( -6.538 -1.242 1.540) 6.831 2.029 ( 3.938 -0.405 0.106) 3.960 2.114 ( 0.091 0.222 -1.697) 1.714 2.132 ( 2.316 -0.116 -1.655) 2.849 2.397 ( -3.338 -0.467 0.368) 3.390 2.625 ( -4.832 -0.017 -0.691) 4.881 2.889 ( 0.488 1.273 -0.284) 1.393 2.944 ( -2.332 -1.754 -2.240) 3.678 3.360 ( 3.997 1.018 1.949) 4.562 3.532 ( 7.269 -0.510 0.443) 7.300 5.811 ( 0.364 0.064 -0.324) 0.491 5.903 ( 2.127 0.118 -0.902) 2.314 6.168 ( 1.006 -0.231 1.809) 2.082 6.215 ( 0.030 0.001 -1.352) 1.352 6.495 ( -1.747 0.270 2.281) 2.886 6.557 ( -1.439 0.045 -1.740) 2.258 6.989 ( 0.113 0.011 1.675) 1.679 7.101 ( 1.369 -0.070 -1.270) 1.869 ======================= Grid point 225 (108/160) ======================= q-point: (-0.22 0.56 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.655 1.798 0.001) 1.914 0.758 ( 6.090 0.195 5.241) 8.037 0.812 ( 2.001 -0.234 6.510) 6.814 1.014 ( 8.050 2.715 1.090) 8.565 1.113 ( 4.982 2.251 -3.507) 6.495 1.204 ( 4.827 -1.101 1.155) 5.084 1.326 ( -6.042 -2.279 -2.157) 6.808 1.449 ( -2.169 -1.039 -1.326) 2.747 1.555 ( 0.891 -0.109 0.129) 0.907 1.589 ( -1.554 -0.395 0.301) 1.631 1.758 ( -8.519 0.715 -0.185) 8.551 1.789 ( -3.455 -0.378 1.293) 3.708 1.901 ( -0.772 -1.690 -1.275) 2.253 2.089 ( -1.256 0.790 1.365) 2.016 2.098 ( 2.768 0.240 -1.203) 3.027 2.158 ( 0.688 -0.009 -0.063) 0.691 2.298 ( -7.882 -0.122 0.389) 7.893 2.498 ( -8.218 -0.752 0.289) 8.258 2.925 ( 3.681 -0.086 -0.254) 3.691 2.954 ( 2.214 -1.649 -2.460) 3.698 3.416 ( 1.379 0.434 2.605) 2.979 3.639 ( 4.945 0.817 0.581) 5.046 5.813 ( 0.098 -0.228 -0.240) 0.345 5.934 ( 2.308 0.214 -0.916) 2.492 6.195 ( 0.252 -0.633 0.658) 0.947 6.214 ( 0.766 -0.240 -0.578) 0.989 6.476 ( -1.696 0.636 2.436) 3.035 6.528 ( -0.380 0.237 -1.416) 1.485 7.000 ( -0.015 0.160 1.536) 1.544 7.113 ( 0.832 -0.154 -1.290) 1.543 ======================= Grid point 226 (109/160) ======================= q-point: (-0.11 -0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -0.243 3.567 0.469) 3.606 0.899 ( 5.650 1.364 2.049) 6.163 0.930 ( 4.242 -2.635 5.480) 7.414 1.095 ( 3.162 4.302 -2.385) 5.848 1.102 ( -0.349 3.264 -1.877) 3.781 1.226 ( -1.413 -1.513 -1.907) 2.814 1.322 ( 6.158 -2.809 -4.881) 8.345 1.437 ( 1.348 -0.830 -2.213) 2.720 1.541 ( -3.715 -1.145 1.602) 4.205 1.569 ( -1.415 -0.320 0.696) 1.609 1.677 ( 0.526 -0.577 0.369) 0.864 1.757 ( -2.620 -0.213 1.616) 3.085 1.926 ( 2.558 -1.341 -0.574) 2.945 2.033 ( -5.833 1.051 2.737) 6.528 2.072 ( -7.895 -0.190 2.426) 8.261 2.145 ( -1.283 0.566 1.261) 1.885 2.238 ( 3.315 0.612 -2.484) 4.187 2.393 ( -4.352 -0.383 0.304) 4.379 2.951 ( -0.648 -1.364 -1.080) 1.856 3.031 ( 5.106 -1.764 -0.054) 5.402 3.430 ( -1.467 -0.077 2.369) 2.788 3.696 ( 2.792 1.891 0.336) 3.389 5.815 ( -0.359 -0.776 0.064) 0.858 5.960 ( 1.439 0.338 -1.010) 1.790 6.189 ( -1.110 -0.476 -0.773) 1.434 6.234 ( 0.638 -0.965 0.482) 1.253 6.460 ( -0.943 1.170 1.905) 2.426 6.529 ( 1.608 0.276 -0.533) 1.716 7.006 ( -0.153 0.379 1.600) 1.652 7.114 ( 0.205 -0.219 -1.401) 1.433 ======================= Grid point 233 (110/160) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 3.851 0.000 1.206) 4.036 0.755 ( 2.538 0.000 4.586) 5.241 0.812 ( 1.548 0.000 4.888) 5.128 1.042 ( 10.735 0.000 1.788) 10.882 1.136 ( 5.950 0.000 -3.310) 6.808 1.192 ( 3.479 0.000 2.214) 4.124 1.306 ( -7.112 -0.000 -2.691) 7.604 1.429 ( -2.933 -0.000 0.177) 2.939 1.555 ( 1.113 0.000 -0.307) 1.155 1.591 ( -0.522 -0.000 -0.227) 0.569 1.769 ( -10.118 -0.000 -0.648) 10.139 1.783 ( -3.341 -0.000 1.904) 3.846 1.884 ( 0.026 0.000 -2.341) 2.341 2.096 ( -2.001 -0.000 0.553) 2.076 2.101 ( 4.160 0.000 -0.559) 4.197 2.158 ( 0.707 0.000 0.133) 0.719 2.297 ( -7.610 -0.000 0.819) 7.654 2.490 ( -8.577 -0.000 0.417) 8.587 2.930 ( 2.207 0.000 -1.413) 2.621 2.933 ( 3.396 0.000 -1.761) 3.825 3.420 ( 1.083 0.000 2.292) 2.535 3.646 ( 5.327 0.000 1.065) 5.433 5.811 ( -0.015 -0.000 -0.393) 0.393 5.936 ( 2.252 0.000 -0.850) 2.408 6.189 ( 0.331 0.000 1.000) 1.053 6.213 ( 0.600 0.000 -1.063) 1.220 6.481 ( -1.671 -0.000 2.469) 2.982 6.530 ( -0.342 -0.000 -1.349) 1.391 7.001 ( 0.024 0.000 1.616) 1.616 7.111 ( 0.855 0.000 -1.356) 1.603 ======================= Grid point 234 (111/160) ======================= q-point: (-0.22 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 2.277 5.750 0.163) 6.186 0.850 ( 2.415 -4.878 3.636) 6.546 0.910 ( 7.085 -0.502 1.142) 7.193 1.126 ( -8.391 0.302 -2.651) 8.805 1.182 ( 2.439 4.870 -1.619) 5.682 1.236 ( 4.519 0.754 -0.707) 4.636 1.274 ( 7.456 -1.677 -2.116) 7.930 1.390 ( -1.829 -3.460 0.252) 3.922 1.538 ( -2.875 0.176 -0.174) 2.885 1.571 ( -0.942 0.513 0.434) 1.157 1.672 ( 1.322 -0.158 -0.878) 1.595 1.752 ( -2.362 -0.242 1.847) 3.009 1.903 ( 2.799 -0.936 -1.418) 3.274 2.047 ( -5.101 0.418 2.447) 5.673 2.071 ( -10.168 0.013 3.186) 10.656 2.158 ( -0.358 0.611 1.223) 1.413 2.245 ( 3.792 0.215 -2.762) 4.696 2.385 ( -3.505 -0.374 0.761) 3.606 2.935 ( -0.871 -0.499 -0.941) 1.376 3.009 ( 5.304 -0.755 -0.415) 5.373 3.431 ( -1.623 0.087 2.618) 3.081 3.718 ( 2.702 0.644 0.236) 2.787 5.806 ( -0.546 -0.263 -0.036) 0.607 5.963 ( 1.421 0.086 -0.872) 1.670 6.183 ( -1.475 -0.185 -0.123) 1.491 6.223 ( 1.042 -0.336 -0.330) 1.144 6.474 ( -0.788 0.446 2.293) 2.466 6.532 ( 1.555 0.090 -0.850) 1.774 7.011 ( -0.063 0.159 1.719) 1.728 7.111 ( 0.202 -0.096 -1.522) 1.538 ======================= Grid point 235 (112/160) ======================= q-point: (-0.11 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -4.732 5.909 -0.058) 7.571 0.914 ( -4.337 -8.315 -0.303) 9.382 0.951 ( -5.019 4.040 -1.041) 6.527 1.074 ( 8.415 -1.525 -1.390) 8.665 1.099 ( -5.266 -1.316 -1.550) 5.645 1.284 ( 0.899 2.423 0.907) 2.739 1.336 ( 5.756 -0.994 -7.734) 9.691 1.493 ( 7.328 -1.683 -0.356) 7.527 1.515 ( 1.315 2.732 -0.290) 3.046 1.591 ( 2.407 -0.799 2.275) 3.407 1.712 ( -3.630 0.362 1.145) 3.824 1.726 ( 2.731 0.363 1.559) 3.165 1.897 ( -10.177 0.071 4.625) 11.179 1.947 ( -1.824 -2.154 -0.085) 2.824 1.993 ( -0.002 -0.494 2.452) 2.501 2.134 ( -2.315 1.266 1.095) 2.856 2.315 ( 6.238 0.596 -3.249) 7.059 2.393 ( 3.558 0.645 0.670) 3.677 2.904 ( -2.832 -1.040 0.130) 3.020 3.099 ( 3.583 -0.640 0.501) 3.674 3.399 ( -3.708 -0.107 2.506) 4.477 3.730 ( -0.325 0.782 -0.954) 1.276 5.798 ( -1.045 -0.652 0.461) 1.315 5.968 ( -0.045 0.270 -0.927) 0.966 6.147 ( -2.637 -0.549 -0.329) 2.714 6.251 ( 1.771 -0.412 0.781) 1.979 6.472 ( -0.151 1.130 1.228) 1.676 6.564 ( 2.545 0.043 -0.812) 2.671 7.019 ( -0.126 0.475 1.866) 1.930 7.102 ( -0.236 -0.287 -1.671) 1.712 ======================= Grid point 243 (113/160) ======================= q-point: (-0.22 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -1.993 -0.000 -0.110) 1.996 0.758 ( -9.110 -0.000 -3.228) 9.665 1.003 ( -3.936 -0.000 1.461) 4.198 1.057 ( 8.699 0.000 -0.928) 8.749 1.075 ( -7.761 -0.000 -4.118) 8.786 1.314 ( -4.168 -0.000 1.447) 4.413 1.324 ( 8.732 0.000 -7.498) 11.510 1.475 ( 10.306 0.000 0.695) 10.329 1.551 ( 3.593 0.000 0.546) 3.635 1.574 ( 0.240 0.000 1.746) 1.762 1.715 ( -3.350 -0.000 1.639) 3.729 1.731 ( 3.523 0.000 0.536) 3.564 1.897 ( -10.492 -0.000 4.784) 11.531 1.925 ( -1.585 -0.000 -0.061) 1.586 1.988 ( -0.903 -0.000 2.462) 2.623 2.146 ( -2.048 -0.000 0.844) 2.215 2.321 ( 6.373 0.000 -3.656) 7.347 2.398 ( 3.821 0.000 0.872) 3.919 2.895 ( -2.876 -0.000 0.365) 2.899 3.092 ( 4.236 0.000 0.718) 4.296 3.400 ( -4.027 -0.000 2.707) 4.852 3.736 ( -0.550 -0.000 -1.353) 1.461 5.792 ( -1.080 -0.000 0.526) 1.201 5.970 ( -0.033 -0.000 -0.832) 0.832 6.142 ( -2.775 -0.000 -0.231) 2.785 6.248 ( 1.979 0.000 0.658) 2.085 6.482 ( -0.152 -0.000 1.510) 1.518 6.564 ( 2.632 0.000 -1.111) 2.856 7.023 ( -0.002 -0.000 1.927) 1.927 7.099 ( -0.311 -0.000 -1.764) 1.791 ======================= Grid point 244 (114/160) ======================= q-point: (-0.11 -0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -10.515 3.280 0.146) 11.016 0.668 ( -12.219 -8.603 -1.897) 15.064 0.919 ( -2.396 4.228 -1.547) 5.100 0.989 ( -2.930 -3.711 -0.981) 4.829 1.197 ( 2.035 0.271 1.083) 2.321 1.273 ( 1.664 -0.849 -0.094) 1.870 1.402 ( 5.385 0.133 -6.767) 8.649 1.576 ( -2.823 2.279 4.368) 5.679 1.581 ( 1.475 1.413 -0.750) 2.176 1.636 ( 4.116 -2.066 1.657) 4.894 1.679 ( -2.121 0.688 3.775) 4.384 1.722 ( -0.365 0.067 1.646) 1.688 1.875 ( -0.228 -0.034 0.520) 0.569 1.907 ( 5.329 -0.835 0.933) 5.475 2.040 ( 3.251 -0.440 0.966) 3.420 2.100 ( -3.010 0.988 -0.407) 3.194 2.404 ( 6.278 0.104 -3.480) 7.179 2.480 ( 3.629 0.133 0.297) 3.643 2.870 ( 0.389 -0.288 1.615) 1.686 3.132 ( -0.832 0.713 0.087) 1.100 3.344 ( -3.993 -0.505 3.160) 5.117 3.683 ( -3.922 -0.028 -2.677) 4.749 5.778 ( -1.205 -0.275 0.936) 1.550 5.954 ( -1.023 0.159 -0.741) 1.273 6.096 ( -2.723 -0.360 0.579) 2.807 6.298 ( 2.825 -0.046 1.619) 3.256 6.480 ( -0.565 0.658 0.032) 0.868 6.600 ( 2.505 0.026 -1.729) 3.043 7.034 ( -0.101 0.546 1.809) 1.893 7.081 ( -0.457 -0.369 -1.786) 1.880 ======================= Grid point 253 (115/160) ======================= q-point: (-0.11 -0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( -7.918 -0.000 4.539) 9.127 0.424 ( -10.540 -0.000 3.692) 11.168 0.887 ( -5.498 -0.000 0.708) 5.543 0.933 ( 1.380 0.000 -1.586) 2.102 1.142 ( -8.576 -0.000 8.070) 11.776 1.295 ( -3.430 -0.000 -0.421) 3.456 1.406 ( -1.291 -0.000 -1.559) 2.024 1.573 ( 3.249 0.000 3.917) 5.089 1.574 ( -0.570 -0.000 -2.904) 2.959 1.693 ( 0.005 0.000 4.368) 4.368 1.752 ( 7.944 0.000 0.787) 7.983 1.774 ( 2.648 0.000 1.271) 2.937 1.871 ( 2.316 0.000 -2.912) 3.721 2.034 ( -0.989 -0.000 -4.165) 4.281 2.084 ( 9.685 0.000 2.406) 9.980 2.094 ( 2.442 0.000 0.142) 2.446 2.474 ( -4.227 -0.000 0.637) 4.275 2.489 ( 5.989 0.000 -1.971) 6.305 2.967 ( 9.009 0.000 1.676) 9.163 3.055 ( -7.283 -0.000 -3.109) 7.918 3.313 ( -2.733 -0.000 4.350) 5.137 3.567 ( -7.036 -0.000 -3.706) 7.952 5.765 ( -0.965 -0.000 0.809) 1.259 5.930 ( -1.256 -0.000 -0.581) 1.384 6.062 ( -1.891 -0.000 1.957) 2.721 6.358 ( 2.511 0.000 1.305) 2.830 6.462 ( -1.238 -0.000 -0.912) 1.538 6.624 ( 1.733 0.000 -2.457) 3.007 7.042 ( -0.621 -0.000 1.086) 1.251 7.060 ( -0.241 -0.000 -1.684) 1.701 ======================= Grid point 254 (116/160) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 2.286 0.000 4.742) 5.264 0.623 ( 1.478 0.000 4.105) 4.364 0.788 ( -0.654 -0.000 2.330) 2.420 0.870 ( -1.971 -0.000 -4.585) 4.991 1.198 ( -7.413 -0.000 10.394) 12.767 1.294 ( 2.670 0.000 3.856) 4.690 1.314 ( -0.877 -0.000 -1.614) 1.836 1.383 ( -3.525 -0.000 -3.647) 5.072 1.781 ( 3.006 0.000 -1.036) 3.179 1.807 ( 5.100 0.000 -3.898) 6.419 1.837 ( -1.567 -0.000 1.904) 2.467 1.869 ( 0.511 0.000 -0.616) 0.800 1.977 ( 2.203 0.000 2.619) 3.423 2.033 ( -3.521 -0.000 -2.496) 4.316 2.133 ( 5.460 0.000 5.078) 7.456 2.256 ( -5.527 -0.000 -6.595) 8.605 2.409 ( 0.683 0.000 3.099) 3.173 2.475 ( 0.316 0.000 -3.239) 3.254 2.974 ( 9.821 0.000 4.216) 10.688 3.067 ( -10.318 -0.000 -4.580) 11.289 3.291 ( -7.039 -0.000 3.085) 7.685 3.345 ( 8.138 0.000 -2.261) 8.446 5.783 ( 0.378 0.000 2.416) 2.446 5.840 ( -0.450 -0.000 -2.851) 2.886 6.158 ( 1.130 0.000 3.702) 3.871 6.231 ( -1.915 -0.000 -3.429) 3.927 6.525 ( -0.146 -0.000 1.918) 1.924 6.567 ( 0.110 0.000 -2.209) 2.212 7.023 ( -1.604 -0.000 1.185) 1.994 7.044 ( 1.653 0.000 -0.928) 1.895 ======================= Grid point 255 (117/160) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 2.425 3.554 -0.287) 4.312 0.681 ( 4.273 0.800 -3.063) 5.317 0.804 ( -2.588 -1.349 1.095) 3.117 0.811 ( -1.409 -1.648 4.039) 4.584 1.149 ( -5.567 0.672 9.884) 11.363 1.271 ( -3.494 0.971 1.951) 4.118 1.313 ( -2.352 -1.961 -3.601) 4.726 1.365 ( 2.152 -0.423 4.073) 4.626 1.778 ( -2.611 2.738 -0.089) 3.784 1.831 ( 0.264 0.927 -0.886) 1.309 1.862 ( 1.876 -0.929 -2.778) 3.478 1.911 ( 7.353 -0.703 -3.941) 8.372 1.938 ( -4.783 -0.035 -2.632) 5.459 1.999 ( -4.255 -0.660 2.559) 5.009 2.082 ( -4.523 1.073 -4.167) 6.243 2.178 ( -3.072 -0.553 3.907) 5.001 2.496 ( 4.640 2.189 -0.875) 5.205 2.532 ( 6.024 -1.830 0.069) 6.297 2.870 ( -7.718 -0.532 -3.127) 8.344 3.121 ( -2.284 0.056 2.247) 3.205 3.222 ( 3.385 0.059 4.030) 5.263 3.446 ( 5.715 0.285 -3.388) 6.650 5.813 ( 0.862 0.119 2.323) 2.481 5.826 ( 1.033 -0.318 -2.403) 2.635 6.190 ( -0.495 -0.014 -2.785) 2.829 6.213 ( 2.328 0.228 4.077) 4.701 6.521 ( -1.780 -0.214 2.073) 2.740 6.544 ( -1.195 -0.103 -2.114) 2.430 7.010 ( -0.802 -0.014 0.994) 1.277 7.069 ( 1.890 0.095 -1.006) 2.143 ======================= Grid point 256 (118/160) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 3.136 0.836 -3.268) 4.605 0.696 ( 0.983 2.217 -3.036) 3.886 0.831 ( 1.538 -3.391 3.101) 4.846 0.847 ( 0.070 -1.797 4.356) 4.713 1.127 ( -2.658 0.738 6.232) 6.815 1.211 ( -4.280 1.144 2.783) 5.232 1.295 ( -0.003 -3.410 -2.516) 4.238 1.427 ( 2.111 0.322 3.423) 4.035 1.688 ( -4.753 4.004 0.611) 6.245 1.757 ( -4.726 1.420 -0.241) 4.941 1.830 ( -4.850 -0.351 -2.963) 5.694 1.874 ( -4.169 -0.874 0.202) 4.264 1.949 ( 3.844 -0.500 -4.219) 5.730 2.014 ( 5.031 -0.327 -2.904) 5.818 2.049 ( -0.635 0.550 0.758) 1.131 2.137 ( -2.286 0.096 0.188) 2.296 2.471 ( -6.113 2.034 -0.941) 6.511 2.563 ( -1.672 -1.679 -2.501) 3.445 2.882 ( 7.152 0.382 3.388) 7.923 3.015 ( -5.250 1.086 -1.242) 5.503 3.377 ( 6.734 -0.296 4.987) 8.385 3.497 ( 3.275 -0.788 -3.518) 4.871 5.829 ( 1.433 0.534 -0.832) 1.741 5.856 ( 1.651 -0.637 0.831) 1.955 6.174 ( 0.474 -0.070 -2.569) 2.613 6.276 ( 2.095 1.102 3.721) 4.411 6.503 ( -2.472 -0.726 2.270) 3.433 6.505 ( -1.404 -0.264 -1.657) 2.188 7.009 ( -0.209 -0.160 0.996) 1.030 7.089 ( 1.381 0.243 -1.142) 1.808 ======================= Grid point 257 (119/160) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -1.338 1.928 -0.042) 2.347 0.757 ( 5.913 -5.720 3.247) 8.845 0.880 ( 1.416 -4.233 -1.847) 4.831 0.931 ( 4.196 -1.333 2.345) 4.988 1.106 ( -3.331 2.314 4.806) 6.289 1.162 ( -1.121 -1.387 -0.732) 1.928 1.327 ( 1.590 -2.113 -1.469) 3.025 1.451 ( -1.221 3.399 1.995) 4.126 1.595 ( -1.237 2.071 0.609) 2.488 1.670 ( -3.992 1.182 0.090) 4.164 1.746 ( -3.871 0.684 -0.987) 4.053 1.818 ( -2.483 -0.315 0.122) 2.506 1.966 ( -1.936 1.181 -0.342) 2.293 2.026 ( 3.730 -0.191 -3.773) 5.310 2.063 ( -0.373 -1.509 -0.046) 1.555 2.143 ( 3.297 0.619 -1.892) 3.851 2.314 ( -9.144 0.320 0.591) 9.169 2.498 ( -5.934 -0.318 -0.779) 5.994 2.950 ( 0.359 1.005 -2.381) 2.609 3.019 ( 5.890 2.397 3.112) 7.080 3.460 ( 1.256 0.501 0.209) 1.369 3.574 ( 4.773 -2.827 1.402) 5.722 5.841 ( 0.964 0.953 -0.365) 1.404 5.896 ( 1.896 -0.699 -0.024) 2.021 6.170 ( 0.780 -0.119 -2.182) 2.320 6.298 ( -0.395 1.725 2.057) 2.713 6.471 ( -1.332 -0.346 -0.518) 1.471 6.506 ( -0.319 -1.046 2.121) 2.386 7.017 ( 0.027 -0.340 1.291) 1.336 7.096 ( 0.622 0.323 -1.348) 1.520 ======================= Grid point 258 (120/160) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -0.410 1.430 1.437) 2.068 0.855 ( -1.686 -5.145 0.247) 5.420 1.015 ( 5.194 -6.743 1.130) 8.586 1.026 ( 4.777 -0.056 2.316) 5.309 1.071 ( 0.823 1.347 1.602) 2.249 1.175 ( 1.278 -1.766 -2.265) 3.144 1.301 ( -0.819 5.241 -2.426) 5.833 1.413 ( -0.800 1.541 -0.950) 1.979 1.563 ( -2.788 -0.157 -0.347) 2.814 1.609 ( -2.543 1.063 0.786) 2.866 1.705 ( 2.004 1.455 0.356) 2.502 1.779 ( -3.271 -0.441 0.453) 3.332 1.942 ( 0.837 0.611 0.028) 1.036 2.057 ( -1.167 -0.427 0.444) 1.320 2.081 ( 1.789 -0.835 -1.377) 2.407 2.169 ( -1.208 -0.023 1.012) 1.576 2.195 ( -2.218 0.041 -0.116) 2.222 2.390 ( -4.823 -0.027 -0.318) 4.834 2.949 ( 0.794 0.726 -1.317) 1.701 3.079 ( 2.308 1.963 0.938) 3.172 3.463 ( -0.294 0.231 0.197) 0.422 3.673 ( 2.584 -1.919 1.308) 3.474 5.840 ( 0.031 1.001 0.153) 1.013 5.926 ( 1.131 -0.638 -0.730) 1.490 6.172 ( 0.420 0.033 -1.093) 1.172 6.275 ( -1.148 1.066 0.666) 1.703 6.459 ( -0.631 -0.579 0.398) 0.944 6.530 ( 0.928 -0.402 0.885) 1.344 7.031 ( 0.031 -0.457 1.602) 1.666 7.089 ( 0.098 0.353 -1.533) 1.576 ======================= Grid point 259 (121/160) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -0.341 0.675 1.842) 1.991 0.855 ( -0.608 -1.101 -0.746) 1.462 1.027 ( -4.369 5.048 -0.623) 6.705 1.082 ( 2.784 1.750 -0.532) 3.331 1.104 ( -2.240 0.193 -0.015) 2.248 1.183 ( 1.731 0.182 -5.851) 6.104 1.280 ( 2.656 -1.601 0.118) 3.103 1.413 ( 3.968 -2.330 -1.569) 4.861 1.550 ( 1.635 1.142 0.942) 2.205 1.616 ( 3.054 -0.691 0.181) 3.136 1.708 ( -3.054 -1.209 0.088) 3.286 1.770 ( 2.522 0.436 1.439) 2.936 1.939 ( -2.633 -0.798 0.536) 2.803 2.010 ( -4.810 0.782 2.952) 5.698 2.060 ( -2.087 1.262 2.246) 3.316 2.145 ( -2.379 -0.748 1.538) 2.930 2.244 ( 6.377 -0.073 -3.077) 7.081 2.383 ( 3.872 -0.816 0.289) 3.967 2.930 ( -1.881 0.689 0.529) 2.072 3.097 ( 0.157 -1.142 -0.756) 1.378 3.450 ( -1.252 1.002 1.392) 2.123 3.698 ( -1.096 -0.221 -0.918) 1.446 5.829 ( -0.879 0.641 0.984) 1.467 5.933 ( -0.080 -0.552 -1.224) 1.345 6.157 ( -1.443 0.565 0.280) 1.575 6.276 ( 1.481 -0.037 0.532) 1.574 6.459 ( -0.501 -1.043 0.240) 1.182 6.550 ( 1.328 0.309 -0.888) 1.627 7.044 ( -0.232 -0.453 1.276) 1.374 7.076 ( -0.086 0.352 -1.186) 1.241 ======================= Grid point 260 (122/160) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -0.850 2.445 3.681) 4.500 0.789 ( -11.960 8.818 -1.009) 14.894 0.854 ( 0.847 1.675 0.447) 1.930 0.996 ( -3.041 1.775 -3.376) 4.878 1.177 ( 5.807 -1.155 -1.319) 6.066 1.228 ( 5.019 -1.617 -6.837) 8.634 1.309 ( 0.179 2.096 -0.037) 2.104 1.496 ( 3.299 -3.633 -2.406) 5.466 1.596 ( 0.465 -1.803 1.018) 2.122 1.661 ( 3.136 -0.999 0.590) 3.343 1.723 ( 1.070 -0.230 1.638) 1.970 1.796 ( 0.255 0.554 2.643) 2.712 1.938 ( -4.590 0.956 3.564) 5.889 1.943 ( 3.029 -0.857 2.226) 3.855 2.049 ( -1.226 -0.706 0.933) 1.695 2.108 ( -2.544 0.152 1.532) 2.973 2.347 ( 7.687 0.348 -2.425) 8.068 2.484 ( 4.864 -0.111 0.577) 4.899 2.908 ( 0.010 -0.171 1.748) 1.757 3.076 ( -4.136 -2.910 -2.321) 5.565 3.426 ( -1.706 1.417 2.681) 3.480 3.630 ( -4.651 1.022 -3.052) 5.656 5.813 ( -1.584 0.309 1.651) 2.309 5.920 ( -0.731 -0.508 -1.668) 1.891 6.130 ( -1.614 0.642 1.627) 2.380 6.319 ( 2.256 -0.798 0.173) 2.399 6.458 ( -0.764 -0.912 0.169) 1.202 6.559 ( 1.700 0.654 -2.528) 3.116 7.041 ( -0.504 -0.074 -0.576) 0.769 7.070 ( -0.314 -0.033 0.635) 0.709 ======================= Grid point 261 (123/160) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -8.128 4.613 4.142) 10.222 0.607 ( -1.437 4.137 6.276) 7.653 0.864 ( 0.065 1.043 0.373) 1.110 0.921 ( -0.930 1.068 -3.239) 3.535 1.238 ( -0.523 1.182 -1.051) 1.666 1.252 ( 1.692 -2.136 -1.122) 2.947 1.312 ( 4.083 1.363 -6.055) 7.429 1.497 ( -0.910 -0.847 -3.369) 3.591 1.662 ( 0.470 -2.489 4.102) 4.821 1.738 ( 3.852 -3.278 1.045) 5.165 1.776 ( 6.011 0.629 1.954) 6.351 1.827 ( -2.192 -0.114 6.042) 6.429 1.883 ( 0.230 2.357 0.176) 2.375 1.975 ( -3.962 -0.272 -0.264) 3.980 2.072 ( 2.888 -1.319 -0.633) 3.238 2.128 ( 5.349 -0.002 1.160) 5.473 2.464 ( 5.562 -0.548 -0.369) 5.601 2.515 ( -0.154 1.404 2.014) 2.460 2.960 ( -8.010 -1.478 -3.884) 9.024 2.990 ( 6.946 -0.888 1.054) 7.081 3.403 ( -2.769 0.277 3.366) 4.367 3.493 ( -7.179 1.303 -3.960) 8.301 5.792 ( -1.807 0.229 1.694) 2.488 5.898 ( -0.823 -0.367 -2.063) 2.251 6.118 ( -0.940 0.426 2.764) 2.951 6.341 ( -0.580 -1.153 -2.396) 2.722 6.464 ( 0.805 -0.018 1.658) 1.843 6.566 ( 1.838 0.483 -3.153) 3.681 7.030 ( -0.114 0.018 -0.979) 0.985 7.065 ( -1.160 -0.158 1.055) 1.576 ======================= Grid point 262 (124/160) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -1.312 -4.209 9.133) 10.141 0.600 ( 0.030 4.548 6.506) 7.938 0.815 ( -2.208 1.954 -0.322) 2.966 0.912 ( 0.503 -0.602 -4.196) 4.269 1.237 ( 1.557 1.126 2.538) 3.183 1.251 ( -4.647 -0.912 5.192) 7.028 1.322 ( 2.151 -0.245 -5.006) 5.454 1.457 ( -1.471 0.221 -4.461) 4.702 1.727 ( 1.880 -2.018 2.956) 4.043 1.788 ( -1.628 1.541 2.681) 3.495 1.826 ( 1.830 -2.228 0.014) 2.884 1.864 ( -0.438 0.024 2.856) 2.890 1.927 ( 2.269 0.706 -2.120) 3.184 1.968 ( 8.386 0.207 3.189) 8.974 2.083 ( -0.460 -0.204 -2.121) 2.180 2.250 ( 6.979 -0.312 -2.893) 7.561 2.439 ( -4.794 0.014 2.992) 5.651 2.566 ( -1.927 -0.162 -1.245) 2.300 2.836 ( 0.714 0.604 -0.348) 0.998 3.148 ( 7.680 -0.489 -0.553) 7.715 3.313 ( -7.070 -0.180 -4.438) 8.349 3.372 ( -4.995 0.375 3.735) 6.248 5.775 ( -1.015 0.199 1.868) 2.136 5.871 ( -0.880 -0.109 -2.502) 2.655 6.127 ( -0.048 0.147 3.324) 3.328 6.294 ( -2.565 -0.402 -3.783) 4.588 6.500 ( 1.368 0.063 2.153) 2.551 6.571 ( 1.276 0.190 -2.729) 3.019 7.028 ( 0.692 -0.098 -0.840) 1.093 7.047 ( -1.789 0.010 1.092) 2.096 ======================= Grid point 264 (125/160) ======================= q-point: ( 0.11 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -2.856 -0.000 -5.045) 5.798 0.686 ( 3.879 0.000 -5.817) 6.992 0.797 ( 4.217 0.000 3.549) 5.512 0.836 ( -0.748 -0.000 4.609) 4.670 1.136 ( -3.158 -0.000 7.705) 8.327 1.212 ( -4.946 -0.000 1.099) 5.066 1.268 ( 0.407 0.000 -1.187) 1.255 1.430 ( 2.469 0.000 3.853) 4.576 1.727 ( -4.689 -0.000 1.249) 4.853 1.768 ( -6.348 -0.000 0.024) 6.348 1.835 ( -3.581 -0.000 -2.484) 4.358 1.854 ( -3.592 -0.000 -1.144) 3.769 1.946 ( 3.599 0.000 -4.383) 5.671 2.011 ( 5.378 0.000 -3.029) 6.173 2.054 ( -1.377 -0.000 1.126) 1.778 2.138 ( -1.884 -0.000 0.357) 1.918 2.497 ( -8.718 -0.000 -1.578) 8.860 2.541 ( 0.718 0.000 -2.384) 2.490 2.886 ( 8.062 0.000 3.893) 8.952 3.024 ( -5.346 -0.000 -1.245) 5.489 3.375 ( 7.154 0.000 5.474) 9.008 3.490 ( 2.448 0.000 -4.273) 4.924 5.836 ( 2.322 0.000 -2.622) 3.502 5.848 ( 0.888 0.000 2.755) 2.895 6.173 ( 0.517 0.000 -2.675) 2.724 6.286 ( 2.400 0.000 3.868) 4.553 6.496 ( -2.599 -0.000 2.794) 3.815 6.503 ( -1.540 -0.000 -2.149) 2.644 7.007 ( -0.249 -0.000 0.957) 0.988 7.091 ( 1.376 0.000 -1.109) 1.767 ======================= Grid point 265 (126/160) ======================= q-point: ( 0.22 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -0.235 -2.259 -1.136) 2.539 0.724 ( 3.156 0.232 -2.203) 3.856 0.845 ( 2.240 0.402 -0.073) 2.278 0.904 ( 4.368 -1.826 1.140) 4.869 1.134 ( -3.844 0.515 3.802) 5.431 1.139 ( -2.301 -0.606 2.455) 3.419 1.300 ( 3.583 -0.837 -1.234) 3.881 1.489 ( 1.408 1.066 2.743) 3.262 1.638 ( -4.592 2.315 0.800) 5.204 1.676 ( -4.481 -0.494 0.415) 4.527 1.765 ( -2.824 1.544 -1.348) 3.490 1.802 ( -1.910 -1.511 -0.603) 2.509 1.976 ( -0.116 0.227 -1.049) 1.079 2.023 ( 0.538 -0.265 -2.355) 2.430 2.043 ( 0.169 -0.593 -0.398) 0.734 2.153 ( 3.386 0.377 -1.991) 3.946 2.321 ( -9.515 0.323 -0.145) 9.521 2.492 ( -5.367 -0.275 -0.494) 5.396 2.963 ( 0.077 0.421 -2.848) 2.880 3.048 ( 6.192 0.934 3.854) 7.353 3.479 ( 1.610 1.549 -1.726) 2.823 3.527 ( 4.435 -2.480 3.033) 5.918 5.857 ( 1.901 0.808 -1.818) 2.752 5.883 ( 1.135 -0.686 1.567) 2.053 6.169 ( 0.964 -0.019 -2.511) 2.689 6.320 ( -0.796 0.670 1.629) 1.933 6.472 ( -1.529 0.418 1.538) 2.208 6.487 ( 0.066 -0.987 0.887) 1.328 7.013 ( -0.015 -0.125 1.264) 1.270 7.100 ( 0.569 0.119 -1.295) 1.419 ======================= Grid point 266 (127/160) ======================= q-point: ( 0.33 0.11 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.768 1.451 -0.062) 1.643 0.774 ( 1.089 -4.311 3.874) 5.897 0.934 ( 5.739 -1.605 -1.383) 6.118 1.005 ( 5.907 -2.446 1.787) 6.639 1.082 ( -1.197 -0.057 -1.029) 1.580 1.159 ( 1.803 0.028 0.555) 1.886 1.363 ( 3.583 1.381 -1.794) 4.238 1.454 ( -2.945 3.309 -0.030) 4.430 1.564 ( -3.786 0.351 -0.780) 3.882 1.620 ( -2.525 0.105 0.283) 2.543 1.729 ( 0.874 1.352 0.138) 1.616 1.768 ( -3.267 -0.783 0.157) 3.364 1.942 ( -2.061 -0.297 0.506) 2.143 2.050 ( 1.306 -0.427 0.112) 1.379 2.070 ( 3.575 -0.439 -2.361) 4.307 2.164 ( -4.228 -0.449 2.033) 4.713 2.200 ( -1.346 0.469 -0.558) 1.531 2.389 ( -5.225 0.017 0.346) 5.236 2.961 ( 1.302 0.598 -2.324) 2.730 3.103 ( -0.337 0.794 0.626) 1.065 3.481 ( 1.724 1.742 -1.014) 2.652 3.634 ( 2.602 -2.485 3.084) 4.739 5.859 ( 0.469 1.138 -1.182) 1.707 5.913 ( 0.684 -0.838 0.436) 1.166 6.175 ( 1.309 0.260 -1.563) 2.055 6.284 ( -2.545 0.055 -0.164) 2.550 6.459 ( -1.026 0.482 2.048) 2.341 6.519 ( 1.597 -0.738 0.550) 1.843 7.025 ( -0.002 -0.266 1.693) 1.714 7.094 ( 0.054 0.193 -1.513) 1.526 ======================= Grid point 267 (128/160) ======================= q-point: (-0.56 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.410 1.879 0.071) 1.925 0.864 ( 3.763 1.085 3.592) 5.314 1.001 ( -0.182 -5.427 0.655) 5.469 1.080 ( 2.268 0.314 -2.368) 3.294 1.138 ( 2.221 1.168 1.569) 2.960 1.192 ( 1.732 0.307 -3.110) 3.573 1.327 ( 0.124 6.013 -4.673) 7.617 1.390 ( 1.275 -0.248 -1.916) 2.314 1.559 ( 2.461 -0.355 0.204) 2.495 1.603 ( 1.923 -0.561 0.214) 2.015 1.687 ( -4.538 -1.134 -0.372) 4.692 1.773 ( 1.625 -0.168 1.728) 2.378 1.915 ( -3.115 -1.696 0.348) 3.564 2.028 ( -3.802 1.068 1.980) 4.418 2.069 ( -3.918 -0.124 3.264) 5.100 2.144 ( -0.967 0.573 1.075) 1.555 2.237 ( 6.647 -0.751 -2.439) 7.120 2.372 ( 3.197 -0.455 0.996) 3.379 2.944 ( -1.509 1.015 -0.681) 1.943 3.069 ( -2.913 -2.009 -1.557) 3.867 3.483 ( 0.659 2.747 0.403) 2.854 3.683 ( -0.682 -1.458 0.880) 1.835 5.843 ( -0.628 0.909 -0.319) 1.150 5.922 ( -0.424 -0.716 -0.320) 0.891 6.172 ( -0.690 1.151 -0.224) 1.361 6.264 ( 0.296 -1.411 -0.335) 1.480 6.453 ( -0.759 0.188 1.475) 1.669 6.551 ( 1.633 -0.145 -0.725) 1.793 7.037 ( -0.269 -0.319 1.789) 1.837 7.081 ( -0.100 0.224 -1.521) 1.541 ======================= Grid point 268 (129/160) ======================= q-point: (-0.44 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.536 0.845 -0.156) 1.013 0.902 ( -1.992 5.777 3.634) 7.110 0.971 ( -5.164 8.923 -1.345) 10.397 1.007 ( -2.911 -0.909 -3.187) 4.411 1.143 ( 1.136 -2.436 0.226) 2.697 1.200 ( 5.725 -1.358 -7.843) 9.804 1.351 ( 5.207 3.030 -1.321) 6.168 1.442 ( 3.716 -2.352 -2.806) 5.217 1.577 ( -2.527 -0.571 0.928) 2.752 1.639 ( 2.228 -1.584 -0.000) 2.734 1.715 ( 4.374 -0.744 1.678) 4.743 1.803 ( -0.534 0.241 2.127) 2.206 1.905 ( 1.709 -2.845 2.788) 4.334 1.963 ( -3.432 0.966 1.342) 3.810 2.027 ( -4.540 -1.194 3.174) 5.667 2.116 ( -1.627 0.538 1.400) 2.213 2.355 ( 8.293 0.666 -2.474) 8.679 2.480 ( 5.994 -0.359 0.986) 6.086 2.906 ( -1.085 -0.000 0.858) 1.384 3.020 ( -4.517 -3.505 -2.322) 6.171 3.460 ( -1.310 2.524 1.255) 3.108 3.642 ( -4.476 0.249 -1.458) 4.714 5.821 ( -1.240 0.667 0.736) 1.589 5.910 ( -1.049 -0.692 -1.057) 1.642 6.143 ( -1.468 0.957 1.188) 2.117 6.296 ( 1.549 -1.851 -0.821) 2.549 6.450 ( -0.373 -0.009 1.303) 1.355 6.568 ( 1.646 0.374 -2.013) 2.627 7.040 ( -0.694 -0.103 0.793) 1.059 7.070 ( -0.229 0.002 -0.558) 0.603 ======================= Grid point 269 (130/160) ======================= q-point: (-0.33 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 0.249 0.659 0.962) 1.193 0.667 ( -9.873 9.166 -0.623) 13.486 0.929 ( -2.498 0.211 -3.757) 4.517 0.936 ( 0.546 6.490 3.914) 7.598 1.200 ( 1.869 -3.724 -2.633) 4.929 1.248 ( 2.893 -0.349 -3.452) 4.517 1.350 ( 0.277 2.968 -2.252) 3.736 1.483 ( 0.484 -0.505 -3.292) 3.366 1.601 ( 2.612 -4.183 1.416) 5.131 1.699 ( 1.822 -1.515 2.234) 3.257 1.788 ( 5.388 0.531 2.143) 5.823 1.824 ( -1.142 -0.327 5.688) 5.810 1.916 ( -0.419 1.601 -0.010) 1.655 1.962 ( -4.844 -1.209 1.121) 5.117 2.039 ( 5.593 -2.392 0.247) 6.088 2.125 ( 2.881 -0.520 0.857) 3.050 2.461 ( 4.596 0.258 -1.594) 4.871 2.538 ( 1.029 1.315 2.088) 2.674 2.931 ( -6.274 -1.877 -3.006) 7.205 2.967 ( 6.665 -1.781 0.927) 6.961 3.414 ( -3.590 0.981 1.547) 4.030 3.517 ( -7.270 1.386 -2.534) 7.823 5.799 ( -1.465 0.632 1.356) 2.094 5.889 ( -0.908 -0.656 -1.670) 2.010 6.127 ( -0.917 0.687 2.345) 2.610 6.314 ( -0.454 -1.913 -2.595) 3.255 6.465 ( 1.020 0.181 2.139) 2.376 6.576 ( 1.591 0.621 -2.697) 3.192 7.030 ( -0.512 0.041 -0.122) 0.528 7.062 ( -0.875 -0.208 0.354) 0.967 ======================= Grid point 270 (131/160) ======================= q-point: (-0.22 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -4.788 2.578 6.173) 8.226 0.648 ( 0.201 1.342 0.629) 1.496 0.873 ( -1.656 2.859 -0.863) 3.415 0.904 ( -0.519 1.530 -1.230) 2.031 1.218 ( -2.601 -2.632 1.915) 4.167 1.265 ( 0.662 0.890 1.231) 1.657 1.319 ( -0.268 0.566 -0.779) 1.000 1.464 ( -0.262 0.513 -4.332) 4.370 1.682 ( 2.426 -3.105 2.124) 4.476 1.772 ( 1.786 -3.465 -0.028) 3.898 1.817 ( -1.509 1.678 3.517) 4.179 1.864 ( -0.408 0.046 2.699) 2.730 1.936 ( 2.402 -0.130 -1.646) 2.915 1.972 ( 7.456 0.212 2.776) 7.959 2.078 ( 0.132 -0.251 -1.917) 1.938 2.237 ( 6.412 -1.372 -2.178) 6.909 2.439 ( -3.970 0.065 1.523) 4.252 2.561 ( -2.954 -0.331 -0.452) 3.006 2.856 ( 2.446 1.707 -0.052) 2.984 3.131 ( 8.456 -1.529 -0.295) 8.599 3.311 ( -7.553 0.004 -3.284) 8.236 3.381 ( -6.124 0.615 1.999) 6.471 5.782 ( -0.851 0.615 1.720) 2.015 5.867 ( -0.774 -0.332 -2.222) 2.376 6.132 ( -0.105 0.404 3.055) 3.083 6.281 ( -2.074 -1.035 -3.574) 4.260 6.502 ( 1.343 0.159 2.267) 2.639 6.577 ( 1.092 0.488 -2.559) 2.825 7.026 ( -0.025 -0.203 0.083) 0.221 7.047 ( -1.105 -0.001 0.229) 1.128 ======================= Grid point 271 (132/160) ======================= q-point: (-0.11 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( 1.455 -4.193 8.226) 9.347 0.650 ( 1.638 0.209 -2.079) 2.655 0.815 ( -1.896 3.006 2.472) 4.329 0.872 ( -1.143 0.511 -3.032) 3.280 1.185 ( -6.936 -1.541 9.366) 11.756 1.290 ( 0.641 -1.764 -1.074) 2.162 1.317 ( 0.136 1.451 3.946) 4.206 1.401 ( -2.659 1.877 -3.321) 4.650 1.760 ( 2.244 -2.276 -0.484) 3.232 1.795 ( 2.748 -1.905 -3.749) 5.023 1.834 ( 1.281 0.088 2.021) 2.395 1.875 ( 0.820 0.581 -1.422) 1.741 1.977 ( 1.926 0.034 2.605) 3.240 2.031 ( -3.006 -0.335 -2.245) 3.767 2.137 ( 5.157 0.341 4.463) 6.829 2.245 ( -5.105 -1.185 -5.724) 7.760 2.418 ( 0.274 0.871 2.460) 2.624 2.474 ( 0.468 -0.109 -2.889) 2.928 2.986 ( 9.678 1.348 3.982) 10.552 3.073 ( -10.166 0.767 -4.341) 11.080 3.282 ( -6.794 -0.932 3.002) 7.486 3.337 ( 7.709 -1.003 -2.329) 8.115 5.787 ( 0.337 0.379 2.288) 2.343 5.841 ( -0.360 0.039 -2.713) 2.737 6.158 ( 1.015 0.052 3.561) 3.703 6.229 ( -1.742 -0.237 -3.329) 3.765 6.527 ( -0.093 0.202 1.976) 1.988 6.569 ( 0.047 0.233 -2.185) 2.198 7.022 ( -1.427 -0.200 1.289) 1.934 7.044 ( 1.474 0.031 -1.030) 1.798 ======================= Grid point 274 (133/160) ======================= q-point: ( 0.22 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 5.267 0.000 1.899) 5.599 0.728 ( -1.540 -0.000 0.772) 1.723 0.954 ( 9.751 0.000 0.068) 9.752 0.954 ( 1.876 0.000 0.269) 1.896 1.079 ( -1.139 -0.000 -1.138) 1.610 1.163 ( 1.545 0.000 1.464) 2.129 1.369 ( 5.500 0.000 -1.301) 5.652 1.489 ( -4.117 -0.000 0.205) 4.122 1.570 ( -4.020 -0.000 -0.303) 4.031 1.617 ( -2.303 -0.000 -0.308) 2.323 1.747 ( 0.977 0.000 0.233) 1.004 1.756 ( -3.743 -0.000 -0.286) 3.754 1.939 ( -3.479 -0.000 0.792) 3.568 2.045 ( 4.853 0.000 -1.499) 5.079 2.066 ( 2.019 0.000 -1.450) 2.485 2.159 ( -5.251 -0.000 2.110) 5.659 2.205 ( -1.327 -0.000 -0.542) 1.433 2.390 ( -5.267 -0.000 0.700) 5.313 2.966 ( 1.557 0.000 -2.744) 3.156 3.109 ( -1.554 -0.000 0.456) 1.619 3.503 ( 3.085 0.000 -2.380) 3.897 3.606 ( 2.165 0.000 4.739) 5.210 5.872 ( 0.972 0.000 -2.903) 3.061 5.903 ( 0.162 0.000 2.116) 2.122 6.178 ( 1.831 0.000 -1.776) 2.550 6.283 ( -3.290 -0.000 -0.556) 3.337 6.466 ( -1.558 -0.000 3.249) 3.604 6.511 ( 2.274 0.000 -0.062) 2.275 7.022 ( -0.014 -0.000 1.733) 1.733 7.095 ( 0.036 0.000 -1.510) 1.510 ======================= Grid point 275 (134/160) ======================= q-point: ( 0.33 0.22 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.108 3.498 0.080) 3.501 0.823 ( 5.965 -4.981 3.071) 8.357 0.971 ( 0.567 1.173 1.686) 2.131 1.081 ( 3.080 -0.079 -4.021) 5.065 1.137 ( 7.391 -0.665 2.376) 7.792 1.197 ( 1.306 0.258 -1.519) 2.020 1.385 ( -3.652 0.586 -3.961) 5.420 1.432 ( 2.863 3.677 -2.510) 5.293 1.545 ( 3.781 -0.706 -0.350) 3.863 1.594 ( -0.346 -0.634 -0.116) 0.731 1.673 ( -5.123 -0.480 -0.954) 5.234 1.766 ( -0.342 -0.439 2.192) 2.262 1.893 ( -2.391 -0.709 -0.611) 2.568 2.038 ( -6.138 0.134 3.961) 7.306 2.067 ( -2.227 0.101 1.271) 2.566 2.154 ( -0.095 0.406 1.274) 1.340 2.224 ( 6.829 -0.508 -1.768) 7.073 2.368 ( 2.548 -0.122 1.351) 2.887 2.961 ( -0.556 0.762 -1.772) 2.007 3.038 ( -5.246 -1.247 -1.686) 5.650 3.529 ( 1.737 2.082 -1.360) 3.034 3.654 ( -0.601 -1.478 3.052) 3.444 5.857 ( -0.247 0.588 -2.005) 2.104 5.911 ( -0.876 -0.490 1.174) 1.545 6.196 ( 0.559 1.669 -0.770) 1.922 6.234 ( -1.175 -1.930 -0.670) 2.357 6.459 ( -1.184 0.349 2.376) 2.678 6.547 ( 2.050 -0.176 -0.793) 2.205 7.033 ( -0.285 -0.116 2.054) 2.077 7.083 ( -0.108 0.077 -1.675) 1.680 ======================= Grid point 276 (135/160) ======================= q-point: (-0.56 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 0.484 2.516 -1.131) 2.800 0.946 ( 0.019 -5.247 -1.198) 5.382 0.992 ( 1.669 4.056 4.228) 6.092 1.081 ( -2.552 3.455 -3.697) 5.667 1.128 ( -1.061 0.343 -1.556) 1.914 1.197 ( 2.028 1.381 -4.461) 5.092 1.394 ( 7.360 -0.049 -4.694) 8.729 1.433 ( 2.105 2.924 -1.533) 3.916 1.572 ( -3.522 -0.019 0.526) 3.561 1.610 ( 1.179 -1.747 -0.923) 2.301 1.702 ( 7.669 -0.697 2.007) 7.957 1.795 ( 0.664 -1.631 3.042) 3.515 1.856 ( -0.941 -2.061 0.168) 2.272 1.964 ( -5.251 -0.478 3.485) 6.320 2.027 ( -3.347 0.900 2.598) 4.331 2.120 ( -3.045 -0.124 1.840) 3.560 2.367 ( 9.332 0.654 -2.328) 9.640 2.472 ( 6.677 -0.521 1.320) 6.826 2.910 ( -2.600 0.533 -0.215) 2.663 2.965 ( -4.082 -2.767 -1.996) 5.320 3.504 ( -1.472 2.410 -0.785) 2.931 3.638 ( -4.077 -0.641 0.619) 4.174 5.834 ( -0.666 0.756 -0.622) 1.184 5.898 ( -1.584 -0.684 0.072) 1.727 6.162 ( -1.661 1.166 0.720) 2.153 6.262 ( 1.526 -2.002 -1.254) 2.812 6.454 ( -0.511 0.354 2.015) 2.109 6.572 ( 1.826 0.113 -1.706) 2.502 7.038 ( -0.823 -0.076 1.826) 2.004 7.070 ( -0.159 0.018 -1.462) 1.471 ======================= Grid point 277 (136/160) ======================= q-point: (-0.44 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 1.200 1.151 -1.165) 2.030 0.823 ( -8.919 8.143 -3.109) 12.470 0.924 ( -2.816 -0.307 -2.899) 4.054 1.055 ( -1.423 6.478 3.636) 7.564 1.133 ( 2.410 -3.776 -2.182) 4.983 1.233 ( 4.878 -1.248 -6.462) 8.192 1.392 ( -3.189 1.522 -0.486) 3.567 1.490 ( 4.031 1.090 -3.641) 5.540 1.539 ( 1.030 -2.463 0.432) 2.705 1.670 ( 1.965 -2.207 0.895) 3.088 1.797 ( 3.584 0.743 2.329) 4.339 1.817 ( 0.463 -0.341 5.531) 5.561 1.918 ( -2.317 -1.861 0.871) 3.096 1.961 ( -2.155 1.469 2.173) 3.395 1.998 ( 6.961 -2.042 0.734) 7.292 2.107 ( 0.216 -1.645 0.965) 1.919 2.470 ( 3.856 0.627 -2.623) 4.706 2.558 ( 1.888 0.967 1.824) 2.797 2.901 ( -3.009 -1.515 -1.598) 3.729 2.935 ( 5.057 -1.778 0.443) 5.379 3.433 ( -4.501 1.207 -0.432) 4.680 3.536 ( -7.269 0.812 -0.943) 7.374 5.813 ( -0.934 0.977 0.597) 1.477 5.876 ( -1.176 -0.852 -0.950) 1.736 6.140 ( -0.947 0.775 1.878) 2.242 6.281 ( -0.054 -1.905 -2.469) 3.119 6.469 ( 0.899 0.275 2.432) 2.607 6.585 ( 1.521 0.457 -2.285) 2.782 7.031 ( -1.008 0.053 1.036) 1.447 7.059 ( -0.474 -0.167 -0.705) 0.866 ======================= Grid point 278 (137/160) ======================= q-point: (-0.33 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -6.567 7.692 0.613) 10.132 0.667 ( 0.403 1.538 -2.085) 2.623 0.876 ( 0.532 -0.187 -3.004) 3.057 0.984 ( -3.605 5.147 2.183) 6.652 1.167 ( -1.217 -3.041 0.245) 3.284 1.248 ( -1.706 -2.251 -2.193) 3.576 1.349 ( -0.130 2.077 2.495) 3.249 1.476 ( 0.247 1.102 -3.942) 4.101 1.623 ( 3.458 -3.868 0.651) 5.230 1.716 ( 0.067 -3.251 0.573) 3.302 1.842 ( -0.061 1.118 3.472) 3.648 1.869 ( -0.634 0.663 3.174) 3.304 1.921 ( 2.639 -1.434 -1.157) 3.218 1.976 ( 5.440 0.433 1.954) 5.797 2.075 ( 1.569 -0.141 -0.992) 1.862 2.203 ( 6.110 -2.472 -1.357) 6.729 2.441 ( -3.286 0.084 -0.270) 3.298 2.556 ( -4.162 -0.289 0.428) 4.194 2.893 ( 4.993 2.547 0.236) 5.610 3.097 ( 9.212 -2.486 -0.058) 9.542 3.314 ( -7.937 0.351 -2.369) 8.291 3.391 ( -7.770 0.499 0.544) 7.805 5.796 ( -0.667 0.963 1.326) 1.769 5.859 ( -0.610 -0.565 -1.724) 1.914 6.140 ( -0.179 0.544 2.638) 2.700 6.262 ( -1.356 -1.238 -3.166) 3.660 6.505 ( 1.289 0.185 2.425) 2.753 6.586 ( 0.869 0.551 -2.344) 2.560 7.022 ( -0.780 -0.179 1.064) 1.332 7.047 ( -0.407 -0.027 -0.715) 0.823 ======================= Grid point 279 (138/160) ======================= q-point: (-0.22 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( -1.016 1.239 7.154) 7.331 0.645 ( 1.335 -0.042 -5.638) 5.794 0.878 ( -2.934 4.093 1.527) 5.262 0.894 ( 0.344 1.947 -0.489) 2.037 1.148 ( -6.167 -2.761 7.762) 10.291 1.241 ( -0.575 -3.650 -1.322) 3.925 1.350 ( -0.839 1.990 4.667) 5.142 1.435 ( -0.856 1.947 -2.973) 3.656 1.709 ( 0.680 -3.686 -0.022) 3.748 1.743 ( 1.915 -3.941 -2.121) 4.868 1.845 ( 1.566 1.106 1.019) 2.171 1.887 ( 2.327 0.858 -2.068) 3.229 1.978 ( 2.023 0.018 2.019) 2.859 2.019 ( -1.793 -1.078 -1.529) 2.591 2.143 ( 3.938 0.356 3.075) 5.009 2.220 ( -4.159 -1.661 -4.211) 6.147 2.433 ( -0.476 0.754 1.634) 1.861 2.471 ( 0.975 -0.288 -2.065) 2.301 3.019 ( 9.295 2.591 3.253) 10.183 3.092 ( -9.684 1.362 -3.563) 10.408 3.261 ( -6.384 -1.452 2.584) 7.038 3.311 ( 6.775 -1.952 -2.321) 7.422 5.795 ( 0.173 0.619 1.919) 2.024 5.841 ( -0.086 0.019 -2.337) 2.339 6.160 ( 0.725 0.135 3.177) 3.262 6.223 ( -1.307 -0.385 -3.031) 3.323 6.531 ( 0.053 0.313 2.122) 2.146 6.574 ( -0.123 0.370 -2.137) 2.172 7.017 ( -1.153 -0.264 1.506) 1.915 7.045 ( 1.189 0.010 -1.246) 1.722 ======================= Grid point 280 (139/160) ======================= q-point: (-0.11 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 2.232 -3.084 3.293) 5.034 0.656 ( 3.807 -1.043 -5.056) 6.415 0.813 ( -2.039 0.768 2.808) 3.554 0.878 ( -1.197 4.654 3.728) 6.082 1.129 ( -4.045 -1.627 7.500) 8.675 1.239 ( -3.706 -2.674 3.092) 5.517 1.352 ( -0.472 1.328 -0.529) 1.505 1.388 ( 0.379 2.801 0.861) 2.955 1.716 ( -2.441 -4.331 -0.946) 5.061 1.792 ( -0.636 -3.145 -0.715) 3.287 1.883 ( 2.889 0.838 -1.661) 3.436 1.925 ( 6.235 1.051 -4.458) 7.736 1.938 ( -3.829 -0.008 -1.657) 4.172 2.018 ( -3.849 1.460 2.355) 4.743 2.059 ( -4.677 -1.311 -3.822) 6.181 2.185 ( -3.197 -0.100 2.509) 4.065 2.461 ( 3.235 -1.930 -0.245) 3.775 2.558 ( 6.365 1.139 -0.515) 6.486 2.887 ( -7.839 1.409 -2.706) 8.412 3.116 ( -5.311 -0.795 1.287) 5.522 3.225 ( 6.074 0.572 4.309) 7.470 3.437 ( 6.384 -0.805 -2.825) 7.027 5.811 ( 0.425 -0.059 1.319) 1.387 5.834 ( 1.352 0.561 -1.530) 2.117 6.190 ( -0.425 0.043 -2.646) 2.680 6.207 ( 1.871 -0.542 3.729) 4.207 6.528 ( -1.546 0.540 2.090) 2.655 6.547 ( -1.193 0.253 -2.030) 2.368 7.010 ( -0.688 0.041 1.106) 1.303 7.066 ( 1.811 -0.245 -1.100) 2.133 ======================= Grid point 284 (140/160) ======================= q-point: (-0.67 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -0.208 -0.000 -1.140) 1.159 0.885 ( 2.248 0.000 -0.268) 2.264 1.026 ( 2.642 0.000 3.056) 4.039 1.116 ( -7.336 -0.000 -3.485) 8.122 1.123 ( 4.976 0.000 -5.352) 7.308 1.219 ( 0.426 0.000 0.236) 0.487 1.384 ( 6.028 0.000 -5.229) 7.980 1.477 ( 1.199 0.000 -1.553) 1.962 1.581 ( -0.136 -0.000 -0.370) 0.394 1.584 ( -2.419 -0.000 -1.912) 3.083 1.694 ( 11.512 0.000 1.901) 11.668 1.770 ( -0.332 -0.000 4.645) 4.657 1.843 ( -2.445 -0.000 -1.093) 2.678 1.959 ( -5.786 -0.000 4.749) 7.486 2.038 ( -2.269 -0.000 1.641) 2.800 2.117 ( -4.215 -0.000 2.196) 4.753 2.374 ( 9.939 0.000 -2.224) 10.184 2.467 ( 6.796 0.000 1.468) 6.953 2.922 ( -5.185 -0.000 -1.249) 5.333 2.933 ( -1.890 -0.000 -1.265) 2.274 3.528 ( -1.658 -0.000 -2.414) 2.929 3.629 ( -3.834 -0.000 2.247) 4.444 5.842 ( -0.196 -0.000 -1.679) 1.690 5.891 ( -2.037 -0.000 1.057) 2.295 6.175 ( -2.226 -0.000 0.520) 2.286 6.241 ( 2.067 0.000 -1.325) 2.455 6.458 ( -0.666 -0.000 2.209) 2.308 6.573 ( 1.944 0.000 -1.605) 2.520 7.038 ( -0.864 -0.000 2.187) 2.352 7.070 ( -0.134 -0.000 -1.778) 1.783 ======================= Grid point 286 (141/160) ======================= q-point: (-0.56 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.555 1.311 -2.060) 2.504 0.884 ( -2.320 -0.313 -4.388) 4.974 0.951 ( -6.181 2.511 -0.241) 6.676 1.092 ( 1.924 -0.488 -0.842) 2.157 1.130 ( -2.321 1.635 0.171) 2.844 1.218 ( 4.546 -0.167 -7.243) 8.553 1.412 ( -4.451 1.311 0.282) 4.648 1.467 ( 4.190 -2.547 -3.033) 5.766 1.559 ( 0.641 3.215 -1.168) 3.480 1.622 ( 2.486 -3.245 -1.172) 4.252 1.808 ( 0.149 0.095 2.143) 2.150 1.823 ( 2.774 1.311 5.486) 6.286 1.880 ( -0.943 -2.145 4.109) 4.730 1.960 ( 8.733 -0.860 0.852) 8.817 2.007 ( -1.379 2.054 0.845) 2.614 2.072 ( -2.384 -2.031 1.485) 3.466 2.478 ( 3.185 0.308 -3.208) 4.531 2.569 ( 2.547 0.374 1.569) 3.015 2.883 ( 1.274 -0.608 -0.011) 1.412 2.913 ( 1.891 -0.725 -0.488) 2.084 3.450 ( -5.199 0.561 -2.018) 5.605 3.544 ( -7.108 0.219 0.421) 7.123 5.829 ( -0.086 0.782 -0.701) 1.053 5.862 ( -1.873 -0.702 0.295) 2.022 6.151 ( -1.104 0.437 1.538) 1.943 6.256 ( 0.403 -0.891 -2.242) 2.446 6.473 ( 0.719 0.129 2.532) 2.635 6.591 ( 1.541 0.162 -2.042) 2.563 7.032 ( -1.379 0.026 1.965) 2.400 7.057 ( -0.153 -0.065 -1.597) 1.606 ======================= Grid point 287 (142/160) ======================= q-point: (-0.44 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 0.793 1.850 -2.918) 3.545 0.744 ( -5.531 6.306 -2.473) 8.745 0.883 ( 0.400 1.130 -1.795) 2.158 1.041 ( -4.797 0.972 0.884) 4.973 1.127 ( -0.558 -1.501 0.347) 1.638 1.214 ( -3.169 -1.023 -1.880) 3.824 1.374 ( 1.673 0.954 0.224) 1.938 1.502 ( -0.940 1.631 -3.220) 3.730 1.559 ( 3.316 -3.056 -0.113) 4.511 1.659 ( -1.399 -3.474 0.410) 3.767 1.852 ( 2.219 0.218 2.424) 3.294 1.887 ( -0.797 1.028 4.300) 4.493 1.896 ( 3.155 -1.110 0.150) 3.348 1.991 ( 1.671 1.395 0.853) 2.337 2.067 ( 2.647 -0.999 -0.264) 2.841 2.162 ( 7.366 -2.020 -0.499) 7.654 2.442 ( -3.079 0.049 -1.588) 3.464 2.552 ( -5.030 -0.177 1.008) 5.133 2.941 ( 7.302 3.066 0.328) 7.926 3.049 ( 9.462 -3.082 0.117) 9.952 3.321 ( -8.039 0.320 -1.727) 8.229 3.397 ( -9.174 0.288 -0.345) 9.185 5.814 ( -0.602 1.100 0.709) 1.441 5.848 ( -0.426 -0.804 -1.086) 1.417 6.149 ( -0.269 0.454 2.243) 2.304 6.243 ( -0.712 -0.894 -2.712) 2.943 6.508 ( 1.231 0.126 2.544) 2.829 6.594 ( 0.722 0.351 -2.173) 2.317 7.020 ( -1.300 -0.095 1.734) 2.169 7.046 ( 0.056 -0.029 -1.387) 1.388 ======================= Grid point 288 (143/160) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -3.886 6.456 2.776) 8.030 0.664 ( 2.064 2.351 -4.960) 5.865 0.924 ( 2.108 1.011 1.043) 2.560 0.941 ( -3.389 2.621 -0.185) 4.288 1.102 ( -6.496 -2.096 6.970) 9.755 1.179 ( -1.195 -3.143 -0.058) 3.363 1.382 ( -1.789 1.924 3.201) 4.141 1.463 ( 1.021 1.283 -3.400) 3.775 1.638 ( -0.883 -4.479 0.661) 4.613 1.669 ( 1.459 -4.610 -1.154) 4.971 1.869 ( 0.661 1.665 0.601) 1.889 1.904 ( 3.579 1.162 -1.844) 4.190 1.976 ( 3.038 -0.333 0.682) 3.131 1.995 ( -1.233 -1.712 -0.643) 2.205 2.147 ( 2.911 0.156 1.696) 3.372 2.192 ( -3.511 -1.499 -2.767) 4.714 2.443 ( -1.773 0.420 1.070) 2.113 2.465 ( 2.291 -0.384 -1.145) 2.590 3.070 ( 8.667 3.246 2.170) 9.506 3.117 ( -8.645 1.545 -2.218) 9.058 3.236 ( -5.575 -1.521 1.631) 6.004 3.272 ( 5.122 -2.578 -1.989) 6.069 5.806 ( -0.184 0.611 1.394) 1.533 5.841 ( 0.372 -0.052 -1.834) 1.872 6.163 ( 0.384 0.180 2.688) 2.721 6.217 ( -0.803 -0.370 -2.602) 2.748 6.536 ( 0.241 0.281 2.283) 2.313 6.581 ( -0.330 0.333 -2.093) 2.145 7.013 ( -0.982 -0.207 1.700) 1.974 7.045 ( 1.000 -0.013 -1.447) 1.759 ======================= Grid point 289 (144/160) ======================= q-point: (-0.22 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 1.725 0.651 5.296) 5.608 0.670 ( 3.902 2.765 -3.997) 6.233 0.834 ( -3.418 1.547 1.209) 3.942 0.956 ( -1.301 4.433 6.049) 7.612 1.093 ( -1.120 -2.591 4.535) 5.341 1.187 ( -3.726 -3.337 4.356) 6.633 1.360 ( -0.334 0.264 1.171) 1.246 1.444 ( 0.495 3.313 -1.078) 3.519 1.637 ( -2.773 -4.984 -1.310) 5.852 1.729 ( -0.345 -4.310 0.301) 4.335 1.889 ( 1.828 0.122 -1.415) 2.315 1.934 ( -2.932 -0.264 -1.512) 3.310 1.950 ( 5.787 1.722 -4.284) 7.403 2.037 ( 1.251 0.056 0.601) 1.389 2.047 ( -8.283 0.355 -2.645) 8.702 2.172 ( -3.627 -1.313 1.478) 4.131 2.433 ( 1.941 -1.282 0.260) 2.341 2.571 ( 6.375 0.505 -0.892) 6.457 2.917 ( -8.223 2.020 -1.905) 8.679 3.091 ( -7.966 -2.046 0.445) 8.237 3.245 ( 7.967 1.743 3.739) 8.972 3.420 ( 7.556 -1.195 -1.771) 7.853 5.811 ( 0.045 0.039 0.934) 0.936 5.844 ( 1.560 0.523 -1.324) 2.112 6.191 ( -0.286 0.027 -2.201) 2.220 6.197 ( 1.189 -0.525 2.990) 3.260 6.538 ( -1.245 0.625 2.031) 2.463 6.551 ( -1.192 0.261 -1.843) 2.210 7.011 ( -0.500 0.059 1.316) 1.409 7.061 ( 1.677 -0.291 -1.281) 2.130 ======================= Grid point 290 (145/160) ======================= q-point: (-0.11 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 2.712 -1.559 1.321) 3.396 0.672 ( 2.869 2.825 -0.705) 4.088 0.849 ( 3.666 0.895 3.204) 4.950 0.923 ( -2.268 4.630 6.034) 7.936 1.117 ( -1.905 -0.446 3.677) 4.165 1.174 ( -2.459 -2.766 2.771) 4.624 1.360 ( 0.465 3.070 -1.809) 3.594 1.427 ( 0.376 0.885 1.708) 1.960 1.611 ( -4.019 -4.622 -0.295) 6.132 1.723 ( -3.594 -2.654 0.010) 4.468 1.838 ( -4.700 0.276 -2.509) 5.335 1.878 ( -5.481 -0.006 0.451) 5.500 1.961 ( 3.346 0.770 -3.538) 4.930 2.018 ( 2.383 -0.059 -1.716) 2.938 2.037 ( 1.516 -0.622 -1.687) 2.351 2.133 ( -1.761 -0.445 -0.044) 1.817 2.442 ( -4.764 -1.342 0.286) 4.957 2.586 ( -2.484 0.997 -2.347) 3.560 2.876 ( 4.879 -0.330 2.210) 5.366 2.988 ( -4.952 -2.007 -1.208) 5.478 3.385 ( 5.846 0.636 3.939) 7.078 3.514 ( 5.066 1.115 -1.912) 5.528 5.821 ( 0.690 -0.397 -0.009) 0.796 5.866 ( 2.084 0.586 -0.275) 2.182 6.176 ( 0.381 0.163 -2.281) 2.318 6.252 ( 1.463 -1.542 3.295) 3.921 6.510 ( -1.426 0.340 -2.157) 2.608 6.519 ( -1.951 1.003 2.698) 3.477 7.013 ( -0.111 0.279 1.121) 1.160 7.084 ( 1.393 -0.403 -1.244) 1.911 ======================= Grid point 295 (146/160) ======================= q-point: (-0.56 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 1.979 0.000 -2.669) 3.323 0.799 ( -4.178 -0.000 -3.790) 5.641 0.904 ( -0.409 -0.000 -0.987) 1.068 1.039 ( -6.675 -0.000 -1.468) 6.835 1.112 ( -0.311 -0.000 1.841) 1.867 1.212 ( -2.926 -0.000 -1.311) 3.207 1.383 ( 2.078 0.000 -0.755) 2.211 1.506 ( 3.355 0.000 -3.716) 5.007 1.548 ( -2.283 -0.000 0.171) 2.290 1.617 ( -1.159 -0.000 0.192) 1.175 1.854 ( 2.999 0.000 2.290) 3.773 1.885 ( 2.320 0.000 -0.025) 2.320 1.898 ( 0.425 0.000 5.179) 5.196 2.013 ( -2.658 -0.000 0.791) 2.774 2.049 ( 4.953 0.000 -0.663) 4.997 2.145 ( 8.661 0.000 0.179) 8.662 2.442 ( -3.062 -0.000 -2.077) 3.700 2.550 ( -5.347 -0.000 1.213) 5.483 2.992 ( 7.781 0.000 0.138) 7.782 2.997 ( 9.932 0.000 0.383) 9.939 3.323 ( -8.046 -0.000 -1.488) 8.182 3.400 ( -9.714 -0.000 -0.643) 9.735 5.830 ( -1.614 -0.000 0.797) 1.800 5.834 ( 0.673 0.000 -1.180) 1.358 6.153 ( -0.334 -0.000 2.072) 2.099 6.235 ( -0.432 -0.000 -2.504) 2.541 6.509 ( 1.206 0.000 2.585) 2.852 6.597 ( 0.674 0.000 -2.107) 2.212 7.019 ( -1.488 -0.000 1.973) 2.471 7.046 ( 0.219 0.000 -1.633) 1.648 ======================= Grid point 297 (147/160) ======================= q-point: (-0.44 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -4.648 4.734 -0.673) 6.669 0.709 ( 2.878 2.142 -2.636) 4.452 0.920 ( -1.538 -0.769 0.705) 1.859 0.941 ( -0.049 -2.021 -1.127) 2.315 1.101 ( -4.725 1.570 6.515) 8.200 1.144 ( -3.819 -1.261 2.649) 4.815 1.422 ( 0.431 2.758 -0.095) 2.793 1.471 ( 0.918 -0.840 -4.251) 4.430 1.576 ( -1.600 -1.721 1.921) 3.035 1.598 ( 0.169 -3.396 0.038) 3.401 1.895 ( 0.698 1.019 0.375) 1.291 1.926 ( 3.546 1.516 -1.311) 4.074 1.958 ( 3.691 -1.817 0.056) 4.114 1.975 ( -1.238 -0.406 -0.852) 1.557 2.148 ( 4.127 -0.088 1.024) 4.253 2.174 ( -4.611 -0.499 -1.820) 4.982 2.448 ( -4.768 0.169 0.620) 4.811 2.459 ( 5.376 -0.217 -0.426) 5.397 3.121 ( 6.594 2.446 1.107) 7.120 3.138 ( -5.582 0.650 -0.465) 5.639 3.214 ( 0.045 -0.825 0.201) 0.850 3.230 ( -1.730 -1.955 -1.435) 2.979 5.814 ( -0.668 0.281 0.939) 1.186 5.840 ( 0.910 -0.061 -1.412) 1.681 6.165 ( 0.133 0.092 2.328) 2.333 6.212 ( -0.447 -0.159 -2.256) 2.306 6.540 ( 0.373 0.113 2.383) 2.414 6.585 ( -0.471 0.133 -2.067) 2.124 7.011 ( -0.912 -0.077 1.806) 2.025 7.045 ( 0.914 -0.009 -1.561) 1.809 ======================= Grid point 298 (148/160) ======================= q-point: (-0.33 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -0.737 3.515 3.510) 5.022 0.728 ( 2.654 2.912 -1.133) 4.100 0.857 ( -2.150 1.215 0.936) 2.641 1.024 ( -2.538 3.587 7.041) 8.300 1.047 ( 1.886 -2.592 2.798) 4.255 1.132 ( -4.095 -3.013 5.406) 7.420 1.377 ( -0.490 2.042 -0.258) 2.116 1.492 ( 1.679 1.728 -1.508) 2.843 1.552 ( -2.954 -4.142 -0.232) 5.093 1.651 ( -0.384 -4.657 1.162) 4.815 1.892 ( -0.985 0.311 -1.646) 1.944 1.929 ( 0.742 -0.311 -2.425) 2.555 1.983 ( 4.472 2.031 -2.684) 5.598 2.031 ( 0.718 -0.403 -3.334) 3.434 2.050 ( -5.264 -0.516 0.631) 5.326 2.150 ( -5.297 -0.958 0.623) 5.419 2.417 ( 1.283 -0.642 0.695) 1.594 2.576 ( 6.284 0.141 -1.195) 6.398 2.955 ( -8.702 2.424 -0.926) 9.081 3.051 ( -8.941 -2.619 -0.174) 9.318 3.277 ( 7.717 1.809 2.335) 8.263 3.398 ( 9.046 -1.220 -0.379) 9.136 5.812 ( -0.206 0.052 0.799) 0.827 5.851 ( 1.668 0.309 -1.329) 2.155 6.188 ( 0.473 -0.308 2.096) 2.170 6.193 ( -0.005 0.021 -1.543) 1.544 6.547 ( -1.011 0.454 1.942) 2.236 6.555 ( -1.209 0.117 -1.665) 2.061 7.012 ( -0.317 0.050 1.559) 1.591 7.057 ( 1.541 -0.200 -1.494) 2.156 ======================= Grid point 299 (149/160) ======================= q-point: (-0.22 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 0.321 -0.195 1.770) 1.810 0.740 ( 3.922 3.704 4.306) 6.902 0.881 ( 5.214 3.119 1.474) 6.252 0.980 ( -4.310 2.003 9.464) 10.590 1.108 ( -4.154 -1.406 4.071) 5.983 1.133 ( 3.058 -1.076 -0.356) 3.261 1.379 ( 1.073 0.167 0.817) 1.359 1.465 ( -2.454 2.285 -1.252) 3.580 1.543 ( -1.015 -2.868 -0.327) 3.060 1.666 ( -2.932 -3.974 0.930) 5.025 1.837 ( -3.033 -0.170 -1.752) 3.507 1.884 ( -6.850 0.802 -0.466) 6.913 1.972 ( 1.428 0.465 -3.236) 3.567 2.003 ( -3.100 -1.576 -0.372) 3.498 2.039 ( 4.946 0.754 -4.485) 6.719 2.120 ( 0.621 -1.102 -0.405) 1.328 2.427 ( -3.750 -0.476 1.452) 4.049 2.598 ( -2.879 0.398 -1.905) 3.475 2.874 ( 2.048 0.234 0.928) 2.261 2.950 ( -4.266 -2.369 -1.067) 4.994 3.396 ( 5.003 0.653 2.910) 5.825 3.532 ( 6.753 0.930 -0.409) 6.829 5.816 ( 0.156 -0.215 0.395) 0.476 5.875 ( 2.283 0.409 -0.907) 2.491 6.179 ( 0.333 0.266 -1.880) 1.928 6.227 ( 0.834 -1.343 2.672) 3.105 6.516 ( -1.237 0.296 -2.075) 2.434 6.535 ( -1.744 0.772 2.551) 3.185 7.018 ( -0.007 0.302 1.341) 1.375 7.076 ( 1.411 -0.408 -1.432) 2.051 ======================= Grid point 300 (150/160) ======================= q-point: (-0.11 0.44 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -1.182 -0.586 1.128) 1.736 0.861 ( 6.917 4.400 7.196) 10.908 0.951 ( 3.881 3.726 -0.884) 5.452 0.968 ( 1.439 3.433 3.757) 5.289 1.066 ( -3.969 -1.954 3.339) 5.543 1.178 ( 2.779 0.532 -2.778) 3.965 1.352 ( -6.891 -0.531 -1.237) 7.022 1.401 ( 0.525 -0.604 0.875) 1.186 1.574 ( 1.988 -0.573 0.746) 2.200 1.638 ( -3.546 -2.520 0.355) 4.365 1.738 ( -6.166 -0.308 -0.912) 6.241 1.817 ( -1.868 -0.211 0.522) 1.951 1.931 ( -2.459 -2.954 -0.421) 3.866 2.032 ( 4.433 0.564 -4.021) 6.012 2.083 ( 1.731 0.539 -1.221) 2.186 2.140 ( 2.305 0.273 -1.234) 2.629 2.313 ( -8.921 0.302 1.396) 9.034 2.500 ( -6.577 -0.183 -0.844) 6.633 2.932 ( 0.898 -1.055 -1.702) 2.194 2.974 ( 5.221 -2.749 2.034) 6.241 3.460 ( 1.127 0.390 1.403) 1.842 3.617 ( 4.999 2.167 0.635) 5.485 5.827 ( 0.357 -0.680 0.294) 0.823 5.906 ( 2.225 0.490 -0.775) 2.406 6.174 ( 0.611 0.342 -1.684) 1.824 6.265 ( -0.208 -2.079 2.020) 2.906 6.481 ( -0.867 0.759 -1.398) 1.812 6.521 ( -0.765 0.710 2.367) 2.587 7.024 ( 0.080 0.450 1.374) 1.448 7.089 ( 0.708 -0.431 -1.468) 1.686 ======================= Grid point 306 (151/160) ======================= q-point: ( 0.56 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -2.787 -0.000 1.265) 3.061 0.746 ( 0.539 0.000 0.924) 1.070 0.874 ( 0.713 0.000 1.934) 2.061 1.018 ( 5.384 0.000 1.112) 5.498 1.079 ( -6.450 -0.000 9.711) 11.658 1.084 ( -3.390 -0.000 3.953) 5.208 1.420 ( 0.785 0.000 -3.166) 3.262 1.459 ( -1.862 -0.000 0.061) 1.863 1.556 ( 0.977 0.000 -0.108) 0.983 1.590 ( -1.415 -0.000 2.125) 2.553 1.896 ( -3.322 -0.000 -1.743) 3.751 1.926 ( 3.538 0.000 -2.867) 4.554 2.015 ( 4.778 0.000 -4.142) 6.323 2.017 ( 3.665 0.000 0.454) 3.693 2.040 ( -7.838 -0.000 -1.312) 7.947 2.142 ( -6.287 -0.000 0.403) 6.300 2.412 ( 1.117 0.000 0.862) 1.411 2.577 ( 6.242 0.000 -1.314) 6.379 2.989 ( -8.780 -0.000 0.455) 8.792 3.015 ( -9.328 -0.000 -1.391) 9.431 3.295 ( 6.978 0.000 1.348) 7.107 3.386 ( 10.116 0.000 0.568) 10.132 5.813 ( -0.293 -0.000 0.767) 0.821 5.854 ( 1.700 0.000 -1.348) 2.170 6.185 ( 0.376 0.000 2.347) 2.377 6.194 ( -0.071 -0.000 -1.883) 1.885 6.552 ( -0.847 -0.000 2.351) 2.499 6.555 ( -1.297 -0.000 -2.044) 2.421 7.013 ( -0.238 -0.000 1.677) 1.694 7.055 ( 1.481 0.000 -1.601) 2.181 ======================= Grid point 308 (152/160) ======================= q-point: (-0.33 0.56 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.227 0.435 2.420) 2.469 0.779 ( 2.165 1.028 4.985) 5.531 0.933 ( 5.377 1.869 1.735) 5.952 1.004 ( -6.531 1.044 9.927) 11.928 1.076 ( -1.904 -1.300 2.601) 3.476 1.134 ( 5.181 0.187 0.958) 5.272 1.390 ( -2.625 1.202 0.768) 2.987 1.454 ( -0.274 -2.443 -1.075) 2.683 1.545 ( -0.301 2.223 0.518) 2.302 1.601 ( -1.183 -3.345 0.631) 3.604 1.835 ( -2.154 -0.058 -1.234) 2.483 1.904 ( -6.345 1.255 -1.449) 6.628 1.968 ( -10.512 -1.325 -0.374) 10.602 1.982 ( 5.131 -0.145 -4.086) 6.561 2.055 ( 3.650 0.839 -3.620) 5.209 2.100 ( 3.294 -0.950 -1.250) 3.649 2.423 ( -3.020 -0.072 2.105) 3.682 2.602 ( -3.158 0.096 -1.523) 3.508 2.885 ( -0.757 1.125 -0.160) 1.366 2.912 ( -2.838 -1.988 -0.666) 3.528 3.405 ( 4.517 0.270 2.297) 5.075 3.543 ( 7.710 0.359 0.446) 7.731 5.814 ( -0.128 -0.065 0.589) 0.606 5.880 ( 2.361 0.148 -1.196) 2.651 6.184 ( 0.428 0.241 -1.587) 1.662 6.210 ( 0.342 -0.640 2.194) 2.310 6.519 ( -1.125 0.117 -2.018) 2.314 6.544 ( -1.654 0.284 2.458) 2.977 7.022 ( 0.050 0.145 1.586) 1.593 7.071 ( 1.434 -0.186 -1.651) 2.195 ======================= Grid point 309 (153/160) ======================= q-point: (-0.22 0.56 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 0.230 2.425 1.312) 2.767 0.876 ( 3.716 -1.575 5.620) 6.919 0.980 ( -2.672 -0.798 7.762) 8.248 1.034 ( 5.279 2.363 1.004) 5.871 1.065 ( 1.827 2.745 -0.776) 3.388 1.195 ( 3.477 1.841 -1.685) 4.280 1.321 ( -7.692 -1.992 1.868) 8.162 1.426 ( -1.555 1.954 -0.647) 2.579 1.566 ( 2.438 -0.627 0.782) 2.636 1.596 ( -1.899 -1.853 0.443) 2.690 1.736 ( -9.181 0.010 -1.493) 9.302 1.814 ( -1.578 -0.171 0.671) 1.724 1.875 ( -1.360 -3.143 -1.281) 3.657 2.044 ( 4.864 0.724 -3.814) 6.223 2.084 ( 2.312 -0.259 -2.059) 3.107 2.147 ( 2.507 0.455 -0.886) 2.697 2.322 ( -8.929 0.605 1.900) 9.149 2.493 ( -7.164 -0.482 -0.701) 7.214 2.917 ( 1.945 -0.638 -1.006) 2.281 2.933 ( 4.039 -1.803 1.017) 4.538 3.469 ( 1.303 0.483 2.417) 2.788 3.645 ( 4.953 1.130 -0.043) 5.080 5.818 ( -0.010 -0.332 0.670) 0.748 5.912 ( 2.352 0.267 -1.118) 2.618 6.182 ( 0.676 0.643 -1.153) 1.483 6.232 ( -0.388 -1.739 1.532) 2.350 6.493 ( -0.139 0.595 -1.683) 1.791 6.529 ( -1.361 0.305 2.380) 2.758 7.031 ( 0.101 0.366 1.556) 1.602 7.082 ( 0.803 -0.353 -1.681) 1.896 ======================= Grid point 310 (154/160) ======================= q-point: (-0.11 -0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -0.228 2.102 1.335) 2.500 0.941 ( -2.001 4.478 -0.711) 4.956 0.992 ( 1.407 -4.183 -1.615) 4.699 1.027 ( -0.764 -2.801 2.956) 4.144 1.131 ( 2.850 4.997 2.355) 6.217 1.205 ( 0.587 0.740 -4.143) 4.250 1.248 ( 0.856 1.136 2.153) 2.580 1.394 ( -0.469 -0.626 -1.785) 1.949 1.558 ( -4.034 -1.069 0.330) 4.186 1.593 ( -0.653 -0.636 1.164) 1.479 1.682 ( 3.052 -1.294 0.201) 3.321 1.783 ( -2.827 0.035 0.616) 2.894 1.918 ( 2.860 -2.058 -0.156) 3.527 2.064 ( -0.558 0.503 -0.413) 0.858 2.098 ( -1.681 0.965 0.118) 1.942 2.170 ( 0.884 0.308 -0.126) 0.944 2.195 ( -3.130 -0.077 0.016) 3.131 2.389 ( -3.860 -0.071 -0.600) 3.907 2.939 ( 0.257 -0.451 -0.150) 0.540 3.041 ( 4.581 -2.248 0.986) 5.197 3.471 ( -1.458 0.980 1.484) 2.300 3.696 ( 2.141 0.823 -0.345) 2.320 5.826 ( -0.232 -0.604 0.957) 1.155 5.935 ( 1.363 0.403 -1.232) 1.881 6.175 ( -0.401 0.431 -0.507) 0.777 6.250 ( 0.037 -1.751 0.898) 1.968 6.476 ( -0.136 1.365 -0.523) 1.468 6.531 ( 0.372 -0.201 0.888) 0.984 7.039 ( 0.071 0.510 1.561) 1.643 7.082 ( 0.140 -0.426 -1.624) 1.685 ======================= Grid point 317 (155/160) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 1.964 0.000 1.536) 2.493 0.850 ( 1.355 0.000 3.838) 4.070 0.970 ( -4.053 -0.000 8.703) 9.601 1.041 ( 3.146 0.000 -0.858) 3.261 1.105 ( 6.813 0.000 -0.513) 6.832 1.221 ( 3.156 0.000 0.620) 3.216 1.298 ( -7.081 -0.000 2.323) 7.452 1.444 ( -2.986 -0.000 1.282) 3.250 1.559 ( 2.368 0.000 0.671) 2.461 1.582 ( -0.297 -0.000 -0.416) 0.512 1.736 ( -12.203 -0.000 -2.164) 12.394 1.812 ( -2.006 -0.000 0.539) 2.077 1.845 ( 0.724 0.000 -1.474) 1.642 2.052 ( 5.763 0.000 -3.896) 6.956 2.080 ( 1.360 0.000 -1.941) 2.370 2.152 ( 3.108 0.000 -0.996) 3.263 2.328 ( -8.920 -0.000 2.057) 9.154 2.488 ( -7.456 -0.000 -0.620) 7.482 2.912 ( 4.248 0.000 -0.297) 4.258 2.917 ( 1.688 0.000 0.190) 1.698 3.473 ( 1.421 0.000 2.837) 3.173 3.655 ( 4.889 0.000 -0.341) 4.901 5.815 ( -0.132 -0.000 0.800) 0.811 5.914 ( 2.385 0.000 -1.207) 2.673 6.191 ( 1.251 0.000 -1.002) 1.603 6.213 ( -1.026 -0.000 1.338) 1.686 6.499 ( 0.272 0.000 -1.756) 1.777 6.532 ( -1.707 -0.000 2.385) 2.933 7.035 ( 0.092 0.000 1.705) 1.708 7.079 ( 0.856 0.000 -1.842) 2.031 ======================= Grid point 318 (156/160) ======================= q-point: (-0.22 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 1.456 4.642 -0.064) 4.865 0.878 ( -2.191 -6.412 -0.861) 6.831 0.986 ( 0.155 -0.205 4.421) 4.428 1.022 ( -1.248 1.752 -4.431) 4.925 1.179 ( -1.440 1.324 1.027) 2.209 1.197 ( -4.810 -0.762 -3.196) 5.825 1.302 ( 7.663 2.335 3.574) 8.772 1.399 ( -1.497 0.951 0.789) 1.941 1.539 ( -4.606 -0.664 0.196) 4.657 1.584 ( 0.420 -0.451 0.771) 0.987 1.661 ( 4.143 -0.947 0.038) 4.250 1.781 ( -2.087 -0.144 0.596) 2.175 1.887 ( 3.257 -1.101 -0.155) 3.441 2.073 ( -1.311 0.424 0.076) 1.380 2.106 ( -1.165 0.068 -0.591) 1.308 2.178 ( 0.842 0.447 -0.486) 1.069 2.193 ( -3.725 -0.084 -0.184) 3.730 2.387 ( -2.943 -0.107 -0.502) 2.987 2.934 ( -0.285 -0.104 0.755) 0.814 3.012 ( 5.910 -1.007 0.756) 6.043 3.487 ( -1.740 0.607 2.644) 3.223 3.704 ( 1.727 0.144 -1.628) 2.377 5.820 ( -0.360 -0.194 1.365) 1.425 5.939 ( 1.462 0.151 -1.392) 2.024 6.185 ( -1.687 0.665 0.310) 1.839 6.222 ( 1.460 -1.237 0.306) 1.938 6.499 ( 0.866 1.162 -1.137) 1.842 6.523 ( -0.559 -0.671 1.175) 1.464 7.047 ( 0.101 0.282 1.737) 1.762 7.076 ( 0.162 -0.250 -1.889) 1.912 ======================= Grid point 319 (157/160) ======================= q-point: (-0.11 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -3.177 2.774 1.276) 4.407 0.861 ( -3.755 -6.014 -3.942) 8.113 0.929 ( -5.755 0.630 -0.985) 5.873 1.050 ( -0.737 -2.200 -0.561) 2.387 1.076 ( 0.320 -2.285 -2.132) 3.142 1.196 ( 3.676 1.067 -3.500) 5.187 1.328 ( -1.918 2.279 1.835) 3.499 1.463 ( 6.369 2.933 -1.151) 7.106 1.538 ( 3.629 0.451 1.505) 3.954 1.618 ( 2.411 -0.696 0.502) 2.559 1.727 ( -1.184 1.048 0.440) 1.641 1.760 ( 2.326 -0.764 1.130) 2.697 1.940 ( -0.269 -0.396 0.452) 0.658 1.999 ( -7.239 -0.863 4.055) 8.342 2.038 ( -2.020 -0.759 1.605) 2.689 2.161 ( -2.616 0.892 1.484) 3.137 2.242 ( 6.634 -0.190 -3.650) 7.574 2.397 ( 4.194 0.642 -0.221) 4.249 2.921 ( -2.039 -0.321 1.482) 2.541 3.106 ( 3.011 0.101 0.163) 3.017 3.448 ( -3.254 0.497 2.118) 3.914 3.694 ( -1.430 -0.489 -2.490) 2.913 5.821 ( -0.991 -0.286 1.800) 2.074 5.941 ( 0.114 0.327 -1.618) 1.655 6.151 ( -2.167 -0.208 0.709) 2.290 6.270 ( 2.564 -0.505 0.973) 2.788 6.484 ( -0.518 1.667 -0.234) 1.761 6.540 ( 1.349 -0.861 -1.377) 2.111 7.052 ( -0.181 0.514 0.541) 0.768 7.069 ( -0.079 -0.451 -0.616) 0.768 ======================= Grid point 327 (158/160) ======================= q-point: (-0.22 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -9.413 -0.000 -1.926) 9.608 0.741 ( -0.474 -0.000 -0.567) 0.739 0.991 ( -8.130 -0.000 -3.247) 8.754 0.991 ( -3.075 -0.000 -2.851) 4.194 1.059 ( 5.644 0.000 0.799) 5.700 1.207 ( 3.777 0.000 -3.278) 5.001 1.345 ( -4.838 -0.000 1.295) 5.009 1.486 ( 8.336 0.000 0.347) 8.344 1.562 ( 4.842 0.000 0.525) 4.870 1.600 ( 1.382 0.000 1.098) 1.765 1.744 ( 4.256 0.000 0.727) 4.318 1.744 ( -2.470 -0.000 0.775) 2.589 1.936 ( 1.786 0.000 0.754) 1.938 1.988 ( -8.718 -0.000 3.810) 9.514 2.034 ( -2.849 -0.000 1.884) 3.415 2.169 ( -2.546 -0.000 1.239) 2.831 2.240 ( 6.804 0.000 -3.857) 7.821 2.402 ( 4.292 0.000 -0.357) 4.307 2.918 ( -2.096 -0.000 1.853) 2.798 3.106 ( 4.090 0.000 0.527) 4.124 3.454 ( -4.028 -0.000 2.549) 4.766 3.688 ( -1.527 -0.000 -3.257) 3.597 5.819 ( -1.015 -0.000 2.087) 2.321 5.944 ( 0.178 0.000 -1.730) 1.740 6.150 ( -2.528 -0.000 0.910) 2.686 6.265 ( 3.046 0.000 1.006) 3.208 6.505 ( -1.402 -0.000 0.659) 1.549 6.526 ( 2.260 0.000 -2.550) 3.408 7.060 ( -0.282 -0.000 -1.954) 1.975 7.061 ( 0.048 0.000 1.811) 1.812 ======================= Grid point 328 (159/160) ======================= q-point: (-0.11 -0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -5.796 -2.170 3.963) 7.349 0.669 ( -10.173 -4.097 2.040) 11.155 0.872 ( -0.150 2.287 -2.233) 3.200 0.957 ( -2.437 -2.353 -2.804) 4.397 1.185 ( 8.300 0.071 -2.210) 8.589 1.250 ( 4.665 0.975 -6.212) 7.830 1.280 ( -2.904 -1.219 0.196) 3.156 1.541 ( 0.137 1.331 -2.396) 2.744 1.637 ( 3.868 2.574 1.279) 4.819 1.667 ( 4.237 -0.568 1.054) 4.403 1.735 ( -0.118 1.685 1.943) 2.575 1.776 ( 0.295 -1.994 2.178) 2.967 1.916 ( -5.068 -0.840 3.452) 6.189 1.958 ( 2.729 0.453 3.488) 4.452 2.048 ( 2.255 -0.305 -0.141) 2.280 2.112 ( -4.367 0.341 1.611) 4.667 2.343 ( 7.575 -0.072 -2.263) 7.906 2.485 ( 3.965 0.018 0.250) 3.973 2.910 ( 0.572 0.087 2.295) 2.366 3.111 ( -3.433 1.096 -2.179) 4.212 3.412 ( -2.497 -0.300 3.470) 4.286 3.614 ( -4.573 -0.630 -4.088) 6.166 5.810 ( -1.717 -0.060 2.110) 2.721 5.926 ( -0.590 0.195 -1.934) 2.032 6.122 ( -1.785 -0.247 1.911) 2.626 6.326 ( 2.888 0.129 0.862) 3.016 6.475 ( -1.516 0.736 -0.332) 1.718 6.549 ( 2.159 -0.471 -3.170) 3.864 7.042 ( -0.358 0.024 -1.550) 1.591 7.071 ( -0.360 0.024 1.469) 1.513 ======================= Grid point 337 (160/160) ======================= q-point: (-0.11 -0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -2.455 -0.000 8.946) 9.276 0.547 ( -5.792 -0.000 7.344) 9.353 0.872 ( -3.627 -0.000 -2.411) 4.355 0.902 ( 2.639 0.000 -1.968) 3.292 1.224 ( -1.928 -0.000 0.725) 2.060 1.273 ( 2.089 0.000 -1.288) 2.455 1.300 ( 5.062 0.000 -7.673) 9.192 1.505 ( -1.334 -0.000 -3.519) 3.763 1.683 ( -0.246 -0.000 5.502) 5.507 1.757 ( 5.309 0.000 1.129) 5.428 1.802 ( 4.413 0.000 1.085) 4.544 1.826 ( 0.777 0.000 5.524) 5.579 1.846 ( -1.338 -0.000 0.594) 1.464 1.976 ( -4.176 -0.000 -0.660) 4.227 2.082 ( 1.735 0.000 -1.176) 2.096 2.128 ( 6.438 0.000 1.518) 6.615 2.473 ( 8.224 0.000 0.363) 8.232 2.498 ( -2.927 -0.000 1.729) 3.400 2.974 ( -9.366 -0.000 -4.489) 10.386 2.997 ( 7.717 0.000 1.376) 7.839 3.402 ( -2.335 -0.000 4.376) 4.960 3.480 ( -7.217 -0.000 -4.800) 8.668 5.790 ( -1.926 -0.000 1.765) 2.612 5.901 ( -0.809 -0.000 -2.194) 2.338 6.114 ( -0.949 -0.000 2.946) 3.095 6.351 ( -0.543 -0.000 -2.197) 2.263 6.464 ( 0.556 0.000 1.384) 1.491 6.562 ( 2.026 0.000 -3.384) 3.944 7.029 ( 0.037 0.000 -1.288) 1.289 7.067 ( -1.255 -0.000 1.277) 1.790 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/17010 10.0 12.311 9.506 9.177 -0.000 -2.794 -0.000 3/17010 20.0 4.609 2.867 3.117 -0.000 -1.190 -0.000 3/17010 30.0 3.006 1.624 1.855 -0.000 -0.745 -0.000 3/17010 40.0 2.320 1.143 1.339 -0.000 -0.541 -0.000 3/17010 50.0 1.914 0.889 1.058 -0.000 -0.424 -0.000 3/17010 60.0 1.636 0.730 0.879 -0.000 -0.347 -0.000 3/17010 70.0 1.429 0.621 0.755 -0.000 -0.294 -0.000 3/17010 80.0 1.269 0.541 0.663 -0.000 -0.255 -0.000 3/17010 90.0 1.142 0.480 0.592 -0.000 -0.224 -0.000 3/17010 100.0 1.037 0.431 0.536 -0.000 -0.201 -0.000 3/17010 110.0 0.950 0.392 0.490 -0.000 -0.181 -0.000 3/17010 120.0 0.877 0.359 0.451 -0.000 -0.165 -0.000 3/17010 130.0 0.814 0.331 0.419 -0.000 -0.152 -0.000 3/17010 140.0 0.759 0.308 0.391 -0.000 -0.140 -0.000 3/17010 150.0 0.712 0.287 0.366 -0.000 -0.131 -0.000 3/17010 160.0 0.669 0.270 0.345 -0.000 -0.122 -0.000 3/17010 170.0 0.632 0.254 0.326 -0.000 -0.115 -0.000 3/17010 180.0 0.599 0.240 0.309 -0.000 -0.108 -0.000 3/17010 190.0 0.569 0.227 0.293 -0.000 -0.102 -0.000 3/17010 200.0 0.541 0.216 0.280 -0.000 -0.097 -0.000 3/17010 210.0 0.517 0.206 0.267 -0.000 -0.092 -0.000 3/17010 220.0 0.494 0.197 0.256 -0.000 -0.088 -0.000 3/17010 230.0 0.474 0.188 0.245 -0.000 -0.084 -0.000 3/17010 240.0 0.455 0.180 0.236 -0.000 -0.080 -0.000 3/17010 250.0 0.437 0.173 0.227 -0.000 -0.077 -0.000 3/17010 260.0 0.421 0.167 0.219 -0.000 -0.074 -0.000 3/17010 270.0 0.406 0.160 0.211 -0.000 -0.071 -0.000 3/17010 280.0 0.392 0.155 0.204 -0.000 -0.068 -0.000 3/17010 290.0 0.379 0.149 0.197 -0.000 -0.066 -0.000 3/17010 300.0 0.366 0.145 0.191 -0.000 -0.064 -0.000 3/17010 310.0 0.355 0.140 0.185 -0.000 -0.061 -0.000 3/17010 320.0 0.344 0.136 0.180 -0.000 -0.059 -0.000 3/17010 330.0 0.334 0.132 0.174 -0.000 -0.058 -0.000 3/17010 340.0 0.324 0.128 0.169 -0.000 -0.056 -0.000 3/17010 350.0 0.315 0.124 0.165 -0.000 -0.054 -0.000 3/17010 360.0 0.307 0.121 0.160 -0.000 -0.053 -0.000 3/17010 370.0 0.299 0.117 0.156 -0.000 -0.051 -0.000 3/17010 380.0 0.291 0.114 0.152 -0.000 -0.050 -0.000 3/17010 390.0 0.284 0.111 0.149 -0.000 -0.049 -0.000 3/17010 400.0 0.277 0.109 0.145 -0.000 -0.047 -0.000 3/17010 410.0 0.270 0.106 0.142 -0.000 -0.046 -0.000 3/17010 420.0 0.264 0.104 0.139 -0.000 -0.045 -0.000 3/17010 430.0 0.258 0.101 0.135 -0.000 -0.044 -0.000 3/17010 440.0 0.252 0.099 0.132 -0.000 -0.043 -0.000 3/17010 450.0 0.247 0.097 0.130 -0.000 -0.042 -0.000 3/17010 460.0 0.242 0.095 0.127 -0.000 -0.041 -0.000 3/17010 470.0 0.237 0.093 0.124 -0.000 -0.040 -0.000 3/17010 480.0 0.232 0.091 0.122 -0.000 -0.039 -0.000 3/17010 490.0 0.227 0.089 0.120 -0.000 -0.038 -0.000 3/17010 500.0 0.223 0.087 0.117 -0.000 -0.038 -0.000 3/17010 510.0 0.218 0.085 0.115 -0.000 -0.037 -0.000 3/17010 520.0 0.214 0.084 0.113 -0.000 -0.036 -0.000 3/17010 530.0 0.210 0.082 0.111 -0.000 -0.035 -0.000 3/17010 540.0 0.206 0.081 0.109 -0.000 -0.035 -0.000 3/17010 550.0 0.203 0.079 0.107 -0.000 -0.034 -0.000 3/17010 560.0 0.199 0.078 0.105 -0.000 -0.034 -0.000 3/17010 570.0 0.196 0.077 0.103 -0.000 -0.033 -0.000 3/17010 580.0 0.192 0.075 0.102 -0.000 -0.032 -0.000 3/17010 590.0 0.189 0.074 0.100 -0.000 -0.032 -0.000 3/17010 600.0 0.186 0.073 0.098 -0.000 -0.031 -0.000 3/17010 610.0 0.183 0.072 0.097 -0.000 -0.031 -0.000 3/17010 620.0 0.180 0.070 0.095 -0.000 -0.030 -0.000 3/17010 630.0 0.177 0.069 0.094 -0.000 -0.030 -0.000 3/17010 640.0 0.175 0.068 0.092 -0.000 -0.029 -0.000 3/17010 650.0 0.172 0.067 0.091 -0.000 -0.029 -0.000 3/17010 660.0 0.169 0.066 0.090 -0.000 -0.028 -0.000 3/17010 670.0 0.167 0.065 0.088 -0.000 -0.028 -0.000 3/17010 680.0 0.165 0.064 0.087 -0.000 -0.027 -0.000 3/17010 690.0 0.162 0.063 0.086 -0.000 -0.027 -0.000 3/17010 700.0 0.160 0.062 0.085 -0.000 -0.027 -0.000 3/17010 710.0 0.158 0.062 0.084 -0.000 -0.026 -0.000 3/17010 720.0 0.156 0.061 0.082 -0.000 -0.026 -0.000 3/17010 730.0 0.153 0.060 0.081 -0.000 -0.026 -0.000 3/17010 740.0 0.151 0.059 0.080 -0.000 -0.025 -0.000 3/17010 750.0 0.149 0.058 0.079 -0.000 -0.025 -0.000 3/17010 760.0 0.148 0.057 0.078 -0.000 -0.025 -0.000 3/17010 770.0 0.146 0.057 0.077 -0.000 -0.024 -0.000 3/17010 780.0 0.144 0.056 0.076 -0.000 -0.024 -0.000 3/17010 790.0 0.142 0.055 0.075 -0.000 -0.024 -0.000 3/17010 800.0 0.140 0.055 0.074 -0.000 -0.023 -0.000 3/17010 810.0 0.139 0.054 0.074 -0.000 -0.023 -0.000 3/17010 820.0 0.137 0.053 0.073 -0.000 -0.023 -0.000 3/17010 830.0 0.135 0.053 0.072 -0.000 -0.022 -0.000 3/17010 840.0 0.134 0.052 0.071 -0.000 -0.022 -0.000 3/17010 850.0 0.132 0.051 0.070 -0.000 -0.022 -0.000 3/17010 860.0 0.131 0.051 0.069 -0.000 -0.022 -0.000 3/17010 870.0 0.129 0.050 0.069 -0.000 -0.021 -0.000 3/17010 880.0 0.128 0.050 0.068 -0.000 -0.021 -0.000 3/17010 890.0 0.126 0.049 0.067 -0.000 -0.021 -0.000 3/17010 900.0 0.125 0.049 0.066 -0.000 -0.021 -0.000 3/17010 910.0 0.123 0.048 0.066 -0.000 -0.020 -0.000 3/17010 920.0 0.122 0.048 0.065 -0.000 -0.020 -0.000 3/17010 930.0 0.121 0.047 0.064 -0.000 -0.020 -0.000 3/17010 940.0 0.120 0.047 0.064 -0.000 -0.020 -0.000 3/17010 950.0 0.118 0.046 0.063 -0.000 -0.020 -0.000 3/17010 960.0 0.117 0.046 0.062 -0.000 -0.019 -0.000 3/17010 970.0 0.116 0.045 0.062 -0.000 -0.019 -0.000 3/17010 980.0 0.115 0.045 0.061 -0.000 -0.019 -0.000 3/17010 990.0 0.114 0.044 0.060 -0.000 -0.019 -0.000 3/17010 1000.0 0.112 0.044 0.060 -0.000 -0.019 -0.000 3/17010 Thermal conductivity related properties were written into "kappa-m997.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:53:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|