----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:18:34]------------------------- 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: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.946332610098177 0.000000000000000 0.000000000000000 b 0.000000000000000 6.126075600000002 0.000000000000000 c -5.902288487356694 0.000000000000000 8.507459873235566 Atomic positions (fractional): *1 O 0.76699831116570 0.80677228487909 0.05364752203123 15.999 2 O 0.23300168883430 0.30677228487909 0.44635247796877 15.999 3 O 0.23300168883430 0.19322771512091 0.94635247796877 15.999 4 O 0.76699831116570 0.69322771512091 0.55364752203123 15.999 *5 O 0.87141735115287 0.28527458563006 0.05958115278202 15.999 6 O 0.12858264884713 0.78527458563006 0.44041884721798 15.999 7 O 0.12858264884713 0.71472541436994 0.94041884721798 15.999 8 O 0.87141735115287 0.21472541436994 0.55958115278202 15.999 *9 O 0.65701693639003 0.45658654608721 0.26285275750675 15.999 10 O 0.34298306360997 0.95658654608722 0.23714724249325 15.999 11 O 0.34298306360997 0.54341345391278 0.73714724249325 15.999 12 O 0.65701693639003 0.04341345391278 0.76285275750675 15.999 *13 Sr 0.23609363798240 0.95081722558723 0.75050668487738 87.620 14 Sr 0.76390636201760 0.45081722558723 0.74949331512262 87.620 15 Sr 0.76390636201760 0.04918277441277 0.24949331512262 87.620 16 Sr 0.23609363798240 0.54918277441277 0.25050668487738 87.620 *17 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 18 Nd 0.50000000000000 0.00000000000000 0.50000000000000 144.242 *19 Bi 0.00000000000000 0.50000000000000 0.50000000000000 208.980 20 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.946332610098177 0.000000000000000 0.000000000000000 b 0.000000000000000 6.126075600000002 0.000000000000000 c -5.902288487356694 0.000000000000000 8.507459873235566 Atomic positions (fractional): *1 O 0.76699831116570 0.80677228487909 0.05364752203123 15.999 > 1 2 O 0.23300168883430 0.30677228487909 0.44635247796877 15.999 > 2 3 O 0.23300168883430 0.19322771512091 0.94635247796877 15.999 > 3 4 O 0.76699831116570 0.69322771512091 0.55364752203123 15.999 > 4 *5 O 0.87141735115287 0.28527458563006 0.05958115278202 15.999 > 5 6 O 0.12858264884713 0.78527458563006 0.44041884721798 15.999 > 6 7 O 0.12858264884713 0.71472541436994 0.94041884721798 15.999 > 7 8 O 0.87141735115287 0.21472541436994 0.55958115278202 15.999 > 8 *9 O 0.65701693639003 0.45658654608721 0.26285275750675 15.999 > 9 10 O 0.34298306360997 0.95658654608722 0.23714724249325 15.999 > 10 11 O 0.34298306360997 0.54341345391278 0.73714724249325 15.999 > 11 12 O 0.65701693639003 0.04341345391278 0.76285275750675 15.999 > 12 *13 Sr 0.23609363798240 0.95081722558723 0.75050668487738 87.620 > 13 14 Sr 0.76390636201760 0.45081722558723 0.74949331512262 87.620 > 14 15 Sr 0.76390636201760 0.04918277441277 0.24949331512262 87.620 > 15 16 Sr 0.23609363798240 0.54918277441277 0.25050668487738 87.620 > 16 *17 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 > 17 18 Nd 0.50000000000000 0.00000000000000 0.50000000000000 144.242 > 18 *19 Bi 0.00000000000000 0.50000000000000 0.50000000000000 208.980 > 19 20 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.892665220196355 0.000000000000000 0.000000000000000 b 0.000000000000000 12.252151200000004 0.000000000000000 c -5.902288487356694 0.000000000000000 8.507459873235566 Atomic positions (fractional): *1 O 0.38349915558285 0.40338614243954 0.05364752203123 15.999 > 1 2 O 0.88349915558285 0.40338614243954 0.05364752203123 15.999 > 1 3 O 0.38349915558285 0.90338614243954 0.05364752203123 15.999 > 1 4 O 0.88349915558285 0.90338614243954 0.05364752203123 15.999 > 1 5 O 0.11650084441715 0.15338614243954 0.44635247796877 15.999 > 2 6 O 0.61650084441715 0.15338614243954 0.44635247796877 15.999 > 2 7 O 0.11650084441715 0.65338614243954 0.44635247796877 15.999 > 2 8 O 0.61650084441715 0.65338614243954 0.44635247796877 15.999 > 2 9 O 0.11650084441715 0.09661385756046 0.94635247796877 15.999 > 3 10 O 0.61650084441715 0.09661385756046 0.94635247796877 15.999 > 3 11 O 0.11650084441715 0.59661385756046 0.94635247796877 15.999 > 3 12 O 0.61650084441715 0.59661385756046 0.94635247796877 15.999 > 3 13 O 0.38349915558285 0.34661385756046 0.55364752203123 15.999 > 4 14 O 0.88349915558285 0.34661385756046 0.55364752203123 15.999 > 4 15 O 0.38349915558285 0.84661385756046 0.55364752203123 15.999 > 4 16 O 0.88349915558285 0.84661385756046 0.55364752203123 15.999 > 4 *17 O 0.43570867557644 0.14263729281503 0.05958115278202 15.999 > 5 18 O 0.93570867557644 0.14263729281503 0.05958115278202 15.999 > 5 19 O 0.43570867557644 0.64263729281503 0.05958115278202 15.999 > 5 20 O 0.93570867557644 0.64263729281503 0.05958115278202 15.999 > 5 21 O 0.06429132442356 0.39263729281503 0.44041884721798 15.999 > 6 22 O 0.56429132442356 0.39263729281503 0.44041884721798 15.999 > 6 23 O 0.06429132442356 0.89263729281503 0.44041884721798 15.999 > 6 24 O 0.56429132442356 0.89263729281503 0.44041884721798 15.999 > 6 25 O 0.06429132442356 0.35736270718497 0.94041884721798 15.999 > 7 26 O 0.56429132442356 0.35736270718497 0.94041884721798 15.999 > 7 27 O 0.06429132442356 0.85736270718497 0.94041884721798 15.999 > 7 28 O 0.56429132442356 0.85736270718497 0.94041884721798 15.999 > 7 29 O 0.43570867557644 0.10736270718497 0.55958115278202 15.999 > 8 30 O 0.93570867557644 0.10736270718497 0.55958115278202 15.999 > 8 31 O 0.43570867557644 0.60736270718497 0.55958115278202 15.999 > 8 32 O 0.93570867557644 0.60736270718497 0.55958115278202 15.999 > 8 *33 O 0.32850846819501 0.22829327304361 0.26285275750675 15.999 > 9 34 O 0.82850846819501 0.22829327304361 0.26285275750675 15.999 > 9 35 O 0.32850846819501 0.72829327304361 0.26285275750675 15.999 > 9 36 O 0.82850846819501 0.72829327304361 0.26285275750675 15.999 > 9 37 O 0.17149153180499 0.47829327304361 0.23714724249325 15.999 > 10 38 O 0.67149153180499 0.47829327304361 0.23714724249325 15.999 > 10 39 O 0.17149153180499 0.97829327304361 0.23714724249325 15.999 > 10 40 O 0.67149153180499 0.97829327304361 0.23714724249325 15.999 > 10 41 O 0.17149153180499 0.27170672695639 0.73714724249325 15.999 > 11 42 O 0.67149153180499 0.27170672695639 0.73714724249325 15.999 > 11 43 O 0.17149153180499 0.77170672695639 0.73714724249325 15.999 > 11 44 O 0.67149153180499 0.77170672695639 0.73714724249325 15.999 > 11 45 O 0.32850846819501 0.02170672695639 0.76285275750675 15.999 > 12 46 O 0.82850846819501 0.02170672695639 0.76285275750675 15.999 > 12 47 O 0.32850846819501 0.52170672695639 0.76285275750675 15.999 > 12 48 O 0.82850846819501 0.52170672695639 0.76285275750675 15.999 > 12 *49 Sr 0.11804681899120 0.47540861279362 0.75050668487738 87.620 > 13 50 Sr 0.61804681899120 0.47540861279362 0.75050668487738 87.620 > 13 51 Sr 0.11804681899120 0.97540861279362 0.75050668487738 87.620 > 13 52 Sr 0.61804681899120 0.97540861279362 0.75050668487738 87.620 > 13 53 Sr 0.38195318100880 0.22540861279362 0.74949331512262 87.620 > 14 54 Sr 0.88195318100880 0.22540861279362 0.74949331512262 87.620 > 14 55 Sr 0.38195318100880 0.72540861279362 0.74949331512262 87.620 > 14 56 Sr 0.88195318100880 0.72540861279362 0.74949331512262 87.620 > 14 57 Sr 0.38195318100880 0.02459138720638 0.24949331512262 87.620 > 15 58 Sr 0.88195318100880 0.02459138720638 0.24949331512262 87.620 > 15 59 Sr 0.38195318100880 0.52459138720638 0.24949331512262 87.620 > 15 60 Sr 0.88195318100880 0.52459138720638 0.24949331512262 87.620 > 15 61 Sr 0.11804681899120 0.27459138720638 0.25050668487738 87.620 > 16 62 Sr 0.61804681899120 0.27459138720638 0.25050668487738 87.620 > 16 63 Sr 0.11804681899120 0.77459138720638 0.25050668487738 87.620 > 16 64 Sr 0.61804681899120 0.77459138720638 0.25050668487738 87.620 > 16 *65 Nd 0.25000000000000 0.25000000000000 0.00000000000000 144.242 > 17 66 Nd 0.75000000000000 0.25000000000000 0.00000000000000 144.242 > 17 67 Nd 0.25000000000000 0.75000000000000 0.00000000000000 144.242 > 17 68 Nd 0.75000000000000 0.75000000000000 0.00000000000000 144.242 > 17 69 Nd 0.25000000000000 0.00000000000000 0.50000000000000 144.242 > 18 70 Nd 0.75000000000000 0.00000000000000 0.50000000000000 144.242 > 18 71 Nd 0.25000000000000 0.50000000000000 0.50000000000000 144.242 > 18 72 Nd 0.75000000000000 0.50000000000000 0.50000000000000 144.242 > 18 *73 Bi 0.00000000000000 0.25000000000000 0.50000000000000 208.980 > 19 74 Bi 0.50000000000000 0.25000000000000 0.50000000000000 208.980 > 19 75 Bi 0.00000000000000 0.75000000000000 0.50000000000000 208.980 > 19 76 Bi 0.50000000000000 0.75000000000000 0.50000000000000 208.980 > 19 77 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 20 78 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 20 79 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 20 80 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8012161 0.0000000 0.0064339 0.0000000 4.9084926 0.0000000 0.0064376 0.0000000 4.7224941 -------------------------- Born effective charges -------------------------- 1 O -2.6442712 -0.7756809 0.0556497 -0.7885258 -2.6922929 -0.0653171 0.0259410 -0.0212489 -1.8464563 2 O -2.6442712 0.7756809 0.0556497 0.7885258 -2.6922929 0.0653171 0.0259410 0.0212489 -1.8464563 3 O -2.6442712 -0.7756809 0.0556497 -0.7885258 -2.6922929 -0.0653171 0.0259410 -0.0212489 -1.8464563 4 O -2.6442712 0.7756809 0.0556497 0.7885258 -2.6922929 0.0653171 0.0259410 0.0212489 -1.8464563 5 O -2.4955700 0.7347698 0.0909891 0.7641324 -2.8149610 -0.1431358 0.0410435 -0.1858756 -1.8289359 6 O -2.4955700 -0.7347698 0.0909891 -0.7641324 -2.8149610 0.1431358 0.0410435 0.1858756 -1.8289359 7 O -2.4955700 0.7347698 0.0909891 0.7641324 -2.8149610 -0.1431358 0.0410435 -0.1858756 -1.8289359 8 O -2.4955700 -0.7347698 0.0909891 -0.7641324 -2.8149610 0.1431358 0.0410435 0.1858756 -1.8289359 9 O -2.0171541 0.0754597 -0.1108819 0.2054473 -1.7787855 -0.0410400 -0.0934835 -0.0123274 -3.3410869 10 O -2.0171541 -0.0754597 -0.1108819 -0.2054473 -1.7787855 0.0410400 -0.0934835 0.0123274 -3.3410869 11 O -2.0171541 0.0754597 -0.1108819 0.2054473 -1.7787855 -0.0410400 -0.0934835 -0.0123274 -3.3410869 12 O -2.0171541 -0.0754597 -0.1108819 -0.2054473 -1.7787855 0.0410400 -0.0934835 0.0123274 -3.3410869 13 Sr 2.5128179 -0.1094979 -0.0727462 -0.2150023 2.4910098 -0.0084971 0.0406847 0.0759555 2.3578020 14 Sr 2.5128179 0.1094979 -0.0727462 0.2150023 2.4910098 0.0084971 0.0406847 -0.0759555 2.3578020 15 Sr 2.5128179 -0.1094979 -0.0727462 -0.2150023 2.4910098 -0.0084971 0.0406847 0.0759555 2.3578020 16 Sr 2.5128179 0.1094979 -0.0727462 0.2150023 2.4910098 0.0084971 0.0406847 -0.0759555 2.3578020 17 Nd 4.4366766 0.3690335 0.6269890 -0.2780066 4.5989462 -0.1221655 -0.4573217 -0.3117192 4.4384767 18 Nd 4.4366766 -0.3690335 0.6269890 0.2780066 4.5989462 0.1221655 -0.4573217 0.3117192 4.4384767 19 Bi 4.8516782 0.3076687 -0.5530105 -0.2771697 4.9911128 0.0842337 0.4289504 0.2023039 4.8788773 20 Bi 4.8516782 -0.3076687 -0.5530105 0.2771697 4.9911128 -0.0842337 0.4289504 -0.2023039 4.8788773 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 392), data: True |-- (404, 393), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.265 Solver_block: 200 / 640 - Time: 2.210 Solver_block: 300 / 640 - Time: 2.227 Solver_block: 400 / 640 - Time: 2.242 Solver_block: 500 / 640 - Time: 2.219 Solver_block: 600 / 640 - Time: 2.180 Solver_block: 640 / 640 - Time: 0.946 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.618 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 392), data: True |-- (404, 393), data: True |-- (404, 392), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 05:19:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:19:28]------------------------- 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): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.946332610098177 0.000000000000000 0.000000000000000 b 0.000000000000000 6.126075600000002 0.000000000000000 c -5.902288487356694 0.000000000000000 8.507459873235566 Atomic positions (fractional): 1 O 0.76699831116570 0.80677228487909 0.05364752203123 15.999 2 O 0.23300168883430 0.30677228487909 0.44635247796877 15.999 3 O 0.23300168883430 0.19322771512091 0.94635247796877 15.999 4 O 0.76699831116570 0.69322771512091 0.55364752203123 15.999 5 O 0.87141735115287 0.28527458563006 0.05958115278202 15.999 6 O 0.12858264884713 0.78527458563006 0.44041884721798 15.999 7 O 0.12858264884713 0.71472541436994 0.94041884721798 15.999 8 O 0.87141735115287 0.21472541436994 0.55958115278202 15.999 9 O 0.65701693639003 0.45658654608721 0.26285275750675 15.999 10 O 0.34298306360997 0.95658654608722 0.23714724249325 15.999 11 O 0.34298306360997 0.54341345391278 0.73714724249325 15.999 12 O 0.65701693639003 0.04341345391278 0.76285275750675 15.999 13 Sr 0.23609363798240 0.95081722558723 0.75050668487738 87.620 14 Sr 0.76390636201760 0.45081722558723 0.74949331512262 87.620 15 Sr 0.76390636201760 0.04918277441277 0.24949331512262 87.620 16 Sr 0.23609363798240 0.54918277441277 0.25050668487738 87.620 17 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 18 Nd 0.50000000000000 0.00000000000000 0.50000000000000 144.242 19 Bi 0.00000000000000 0.50000000000000 0.50000000000000 208.980 20 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.892665220196355 0.000000000000000 0.000000000000000 b 0.000000000000000 12.252151200000004 0.000000000000000 c -5.902288487356694 0.000000000000000 8.507459873235566 Atomic positions (fractional): 1 O 0.38349915558285 0.40338614243954 0.05364752203123 15.999 > 1 2 O 0.88349915558285 0.40338614243954 0.05364752203123 15.999 > 1 3 O 0.38349915558285 0.90338614243954 0.05364752203123 15.999 > 1 4 O 0.88349915558285 0.90338614243954 0.05364752203123 15.999 > 1 5 O 0.11650084441715 0.15338614243954 0.44635247796877 15.999 > 5 6 O 0.61650084441715 0.15338614243954 0.44635247796877 15.999 > 5 7 O 0.11650084441715 0.65338614243954 0.44635247796877 15.999 > 5 8 O 0.61650084441715 0.65338614243954 0.44635247796877 15.999 > 5 9 O 0.11650084441715 0.09661385756046 0.94635247796877 15.999 > 9 10 O 0.61650084441715 0.09661385756046 0.94635247796877 15.999 > 9 11 O 0.11650084441715 0.59661385756046 0.94635247796877 15.999 > 9 12 O 0.61650084441715 0.59661385756046 0.94635247796877 15.999 > 9 13 O 0.38349915558285 0.34661385756046 0.55364752203123 15.999 > 13 14 O 0.88349915558285 0.34661385756046 0.55364752203123 15.999 > 13 15 O 0.38349915558285 0.84661385756046 0.55364752203123 15.999 > 13 16 O 0.88349915558285 0.84661385756046 0.55364752203123 15.999 > 13 17 O 0.43570867557644 0.14263729281503 0.05958115278202 15.999 > 17 18 O 0.93570867557644 0.14263729281503 0.05958115278202 15.999 > 17 19 O 0.43570867557644 0.64263729281503 0.05958115278202 15.999 > 17 20 O 0.93570867557644 0.64263729281503 0.05958115278202 15.999 > 17 21 O 0.06429132442356 0.39263729281503 0.44041884721798 15.999 > 21 22 O 0.56429132442356 0.39263729281503 0.44041884721798 15.999 > 21 23 O 0.06429132442356 0.89263729281503 0.44041884721798 15.999 > 21 24 O 0.56429132442356 0.89263729281503 0.44041884721798 15.999 > 21 25 O 0.06429132442356 0.35736270718497 0.94041884721798 15.999 > 25 26 O 0.56429132442356 0.35736270718497 0.94041884721798 15.999 > 25 27 O 0.06429132442356 0.85736270718497 0.94041884721798 15.999 > 25 28 O 0.56429132442356 0.85736270718497 0.94041884721798 15.999 > 25 29 O 0.43570867557644 0.10736270718497 0.55958115278202 15.999 > 29 30 O 0.93570867557644 0.10736270718497 0.55958115278202 15.999 > 29 31 O 0.43570867557644 0.60736270718497 0.55958115278202 15.999 > 29 32 O 0.93570867557644 0.60736270718497 0.55958115278202 15.999 > 29 33 O 0.32850846819501 0.22829327304361 0.26285275750675 15.999 > 33 34 O 0.82850846819501 0.22829327304361 0.26285275750675 15.999 > 33 35 O 0.32850846819501 0.72829327304361 0.26285275750675 15.999 > 33 36 O 0.82850846819501 0.72829327304361 0.26285275750675 15.999 > 33 37 O 0.17149153180499 0.47829327304361 0.23714724249325 15.999 > 37 38 O 0.67149153180499 0.47829327304361 0.23714724249325 15.999 > 37 39 O 0.17149153180499 0.97829327304361 0.23714724249325 15.999 > 37 40 O 0.67149153180499 0.97829327304361 0.23714724249325 15.999 > 37 41 O 0.17149153180499 0.27170672695639 0.73714724249325 15.999 > 41 42 O 0.67149153180499 0.27170672695639 0.73714724249325 15.999 > 41 43 O 0.17149153180499 0.77170672695639 0.73714724249325 15.999 > 41 44 O 0.67149153180499 0.77170672695639 0.73714724249325 15.999 > 41 45 O 0.32850846819501 0.02170672695639 0.76285275750675 15.999 > 45 46 O 0.82850846819501 0.02170672695639 0.76285275750675 15.999 > 45 47 O 0.32850846819501 0.52170672695639 0.76285275750675 15.999 > 45 48 O 0.82850846819501 0.52170672695639 0.76285275750675 15.999 > 45 49 Sr 0.11804681899120 0.47540861279362 0.75050668487738 87.620 > 49 50 Sr 0.61804681899120 0.47540861279362 0.75050668487738 87.620 > 49 51 Sr 0.11804681899120 0.97540861279362 0.75050668487738 87.620 > 49 52 Sr 0.61804681899120 0.97540861279362 0.75050668487738 87.620 > 49 53 Sr 0.38195318100880 0.22540861279362 0.74949331512262 87.620 > 53 54 Sr 0.88195318100880 0.22540861279362 0.74949331512262 87.620 > 53 55 Sr 0.38195318100880 0.72540861279362 0.74949331512262 87.620 > 53 56 Sr 0.88195318100880 0.72540861279362 0.74949331512262 87.620 > 53 57 Sr 0.38195318100880 0.02459138720638 0.24949331512262 87.620 > 57 58 Sr 0.88195318100880 0.02459138720638 0.24949331512262 87.620 > 57 59 Sr 0.38195318100880 0.52459138720638 0.24949331512262 87.620 > 57 60 Sr 0.88195318100880 0.52459138720638 0.24949331512262 87.620 > 57 61 Sr 0.11804681899120 0.27459138720638 0.25050668487738 87.620 > 61 62 Sr 0.61804681899120 0.27459138720638 0.25050668487738 87.620 > 61 63 Sr 0.11804681899120 0.77459138720638 0.25050668487738 87.620 > 61 64 Sr 0.61804681899120 0.77459138720638 0.25050668487738 87.620 > 61 65 Nd 0.25000000000000 0.25000000000000 0.00000000000000 144.242 > 65 66 Nd 0.75000000000000 0.25000000000000 0.00000000000000 144.242 > 65 67 Nd 0.25000000000000 0.75000000000000 0.00000000000000 144.242 > 65 68 Nd 0.75000000000000 0.75000000000000 0.00000000000000 144.242 > 65 69 Nd 0.25000000000000 0.00000000000000 0.50000000000000 144.242 > 69 70 Nd 0.75000000000000 0.00000000000000 0.50000000000000 144.242 > 69 71 Nd 0.25000000000000 0.50000000000000 0.50000000000000 144.242 > 69 72 Nd 0.75000000000000 0.50000000000000 0.50000000000000 144.242 > 69 73 Bi 0.00000000000000 0.25000000000000 0.50000000000000 208.980 > 73 74 Bi 0.50000000000000 0.25000000000000 0.50000000000000 208.980 > 73 75 Bi 0.00000000000000 0.75000000000000 0.50000000000000 208.980 > 73 76 Bi 0.50000000000000 0.75000000000000 0.50000000000000 208.980 > 73 77 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 77 78 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 77 79 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 77 80 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8012161 0.0000000 0.0064339 0.0000000 4.9084926 0.0000000 0.0064376 0.0000000 4.7224941 -------------------------- Born effective charges -------------------------- 1 O -2.6442712 -0.7756809 0.0556497 -0.7885258 -2.6922929 -0.0653171 0.0259410 -0.0212489 -1.8464563 2 O -2.6442712 0.7756809 0.0556497 0.7885258 -2.6922929 0.0653171 0.0259410 0.0212489 -1.8464563 3 O -2.6442712 -0.7756809 0.0556497 -0.7885258 -2.6922929 -0.0653171 0.0259410 -0.0212489 -1.8464563 4 O -2.6442712 0.7756809 0.0556497 0.7885258 -2.6922929 0.0653171 0.0259410 0.0212489 -1.8464563 5 O -2.4955700 0.7347698 0.0909891 0.7641324 -2.8149610 -0.1431358 0.0410435 -0.1858756 -1.8289359 6 O -2.4955700 -0.7347698 0.0909891 -0.7641324 -2.8149610 0.1431358 0.0410435 0.1858756 -1.8289359 7 O -2.4955700 0.7347698 0.0909891 0.7641324 -2.8149610 -0.1431358 0.0410435 -0.1858756 -1.8289359 8 O -2.4955700 -0.7347698 0.0909891 -0.7641324 -2.8149610 0.1431358 0.0410435 0.1858756 -1.8289359 9 O -2.0171541 0.0754597 -0.1108819 0.2054473 -1.7787855 -0.0410400 -0.0934835 -0.0123274 -3.3410869 10 O -2.0171541 -0.0754597 -0.1108819 -0.2054473 -1.7787855 0.0410400 -0.0934835 0.0123274 -3.3410869 11 O -2.0171541 0.0754597 -0.1108819 0.2054473 -1.7787855 -0.0410400 -0.0934835 -0.0123274 -3.3410869 12 O -2.0171541 -0.0754597 -0.1108819 -0.2054473 -1.7787855 0.0410400 -0.0934835 0.0123274 -3.3410869 13 Sr 2.5128179 -0.1094979 -0.0727462 -0.2150023 2.4910098 -0.0084971 0.0406847 0.0759555 2.3578020 14 Sr 2.5128179 0.1094979 -0.0727462 0.2150023 2.4910098 0.0084971 0.0406847 -0.0759555 2.3578020 15 Sr 2.5128179 -0.1094979 -0.0727462 -0.2150023 2.4910098 -0.0084971 0.0406847 0.0759555 2.3578020 16 Sr 2.5128179 0.1094979 -0.0727462 0.2150023 2.4910098 0.0084971 0.0406847 -0.0759555 2.3578020 17 Nd 4.4366766 0.3690335 0.6269890 -0.2780066 4.5989462 -0.1221655 -0.4573217 -0.3117192 4.4384767 18 Nd 4.4366766 -0.3690335 0.6269890 0.2780066 4.5989462 0.1221655 -0.4573217 0.3117192 4.4384767 19 Bi 4.8516782 0.3076687 -0.5530105 -0.2771697 4.9911128 0.0842337 0.4289504 0.2023039 4.8788773 20 Bi 4.8516782 -0.3076687 -0.5530105 0.2771697 4.9911128 -0.0842337 0.4289504 -0.2023039 4.8788773 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 17, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 33, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 65, 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000013 (zx) 0.00000013 (zx) 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 05:19:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:19:45]------------------------- 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): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.946332610098177 0.000000000000000 0.000000000000000 b 0.000000000000000 6.126075600000002 0.000000000000000 c -5.902288487356694 0.000000000000000 8.507459873235566 Atomic positions (fractional): 1 O 0.76699831116570 0.80677228487909 0.05364752203123 15.999 2 O 0.23300168883430 0.30677228487909 0.44635247796877 15.999 3 O 0.23300168883430 0.19322771512091 0.94635247796877 15.999 4 O 0.76699831116570 0.69322771512091 0.55364752203123 15.999 5 O 0.87141735115287 0.28527458563006 0.05958115278202 15.999 6 O 0.12858264884713 0.78527458563006 0.44041884721798 15.999 7 O 0.12858264884713 0.71472541436994 0.94041884721798 15.999 8 O 0.87141735115287 0.21472541436994 0.55958115278202 15.999 9 O 0.65701693639003 0.45658654608721 0.26285275750675 15.999 10 O 0.34298306360997 0.95658654608722 0.23714724249325 15.999 11 O 0.34298306360997 0.54341345391278 0.73714724249325 15.999 12 O 0.65701693639003 0.04341345391278 0.76285275750675 15.999 13 Sr 0.23609363798240 0.95081722558723 0.75050668487738 87.620 14 Sr 0.76390636201760 0.45081722558723 0.74949331512262 87.620 15 Sr 0.76390636201760 0.04918277441277 0.24949331512262 87.620 16 Sr 0.23609363798240 0.54918277441277 0.25050668487738 87.620 17 Nd 0.50000000000000 0.50000000000000 0.00000000000000 144.242 18 Nd 0.50000000000000 0.00000000000000 0.50000000000000 144.242 19 Bi 0.00000000000000 0.50000000000000 0.50000000000000 208.980 20 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.892665220196355 0.000000000000000 0.000000000000000 b 0.000000000000000 12.252151200000004 0.000000000000000 c -5.902288487356694 0.000000000000000 8.507459873235566 Atomic positions (fractional): 1 O 0.38349915558285 0.40338614243954 0.05364752203123 15.999 > 1 2 O 0.88349915558285 0.40338614243954 0.05364752203123 15.999 > 1 3 O 0.38349915558285 0.90338614243954 0.05364752203123 15.999 > 1 4 O 0.88349915558285 0.90338614243954 0.05364752203123 15.999 > 1 5 O 0.11650084441715 0.15338614243954 0.44635247796877 15.999 > 5 6 O 0.61650084441715 0.15338614243954 0.44635247796877 15.999 > 5 7 O 0.11650084441715 0.65338614243954 0.44635247796877 15.999 > 5 8 O 0.61650084441715 0.65338614243954 0.44635247796877 15.999 > 5 9 O 0.11650084441715 0.09661385756046 0.94635247796877 15.999 > 9 10 O 0.61650084441715 0.09661385756046 0.94635247796877 15.999 > 9 11 O 0.11650084441715 0.59661385756046 0.94635247796877 15.999 > 9 12 O 0.61650084441715 0.59661385756046 0.94635247796877 15.999 > 9 13 O 0.38349915558285 0.34661385756046 0.55364752203123 15.999 > 13 14 O 0.88349915558285 0.34661385756046 0.55364752203123 15.999 > 13 15 O 0.38349915558285 0.84661385756046 0.55364752203123 15.999 > 13 16 O 0.88349915558285 0.84661385756046 0.55364752203123 15.999 > 13 17 O 0.43570867557644 0.14263729281503 0.05958115278202 15.999 > 17 18 O 0.93570867557644 0.14263729281503 0.05958115278202 15.999 > 17 19 O 0.43570867557644 0.64263729281503 0.05958115278202 15.999 > 17 20 O 0.93570867557644 0.64263729281503 0.05958115278202 15.999 > 17 21 O 0.06429132442356 0.39263729281503 0.44041884721798 15.999 > 21 22 O 0.56429132442356 0.39263729281503 0.44041884721798 15.999 > 21 23 O 0.06429132442356 0.89263729281503 0.44041884721798 15.999 > 21 24 O 0.56429132442356 0.89263729281503 0.44041884721798 15.999 > 21 25 O 0.06429132442356 0.35736270718497 0.94041884721798 15.999 > 25 26 O 0.56429132442356 0.35736270718497 0.94041884721798 15.999 > 25 27 O 0.06429132442356 0.85736270718497 0.94041884721798 15.999 > 25 28 O 0.56429132442356 0.85736270718497 0.94041884721798 15.999 > 25 29 O 0.43570867557644 0.10736270718497 0.55958115278202 15.999 > 29 30 O 0.93570867557644 0.10736270718497 0.55958115278202 15.999 > 29 31 O 0.43570867557644 0.60736270718497 0.55958115278202 15.999 > 29 32 O 0.93570867557644 0.60736270718497 0.55958115278202 15.999 > 29 33 O 0.32850846819501 0.22829327304361 0.26285275750675 15.999 > 33 34 O 0.82850846819501 0.22829327304361 0.26285275750675 15.999 > 33 35 O 0.32850846819501 0.72829327304361 0.26285275750675 15.999 > 33 36 O 0.82850846819501 0.72829327304361 0.26285275750675 15.999 > 33 37 O 0.17149153180499 0.47829327304361 0.23714724249325 15.999 > 37 38 O 0.67149153180499 0.47829327304361 0.23714724249325 15.999 > 37 39 O 0.17149153180499 0.97829327304361 0.23714724249325 15.999 > 37 40 O 0.67149153180499 0.97829327304361 0.23714724249325 15.999 > 37 41 O 0.17149153180499 0.27170672695639 0.73714724249325 15.999 > 41 42 O 0.67149153180499 0.27170672695639 0.73714724249325 15.999 > 41 43 O 0.17149153180499 0.77170672695639 0.73714724249325 15.999 > 41 44 O 0.67149153180499 0.77170672695639 0.73714724249325 15.999 > 41 45 O 0.32850846819501 0.02170672695639 0.76285275750675 15.999 > 45 46 O 0.82850846819501 0.02170672695639 0.76285275750675 15.999 > 45 47 O 0.32850846819501 0.52170672695639 0.76285275750675 15.999 > 45 48 O 0.82850846819501 0.52170672695639 0.76285275750675 15.999 > 45 49 Sr 0.11804681899120 0.47540861279362 0.75050668487738 87.620 > 49 50 Sr 0.61804681899120 0.47540861279362 0.75050668487738 87.620 > 49 51 Sr 0.11804681899120 0.97540861279362 0.75050668487738 87.620 > 49 52 Sr 0.61804681899120 0.97540861279362 0.75050668487738 87.620 > 49 53 Sr 0.38195318100880 0.22540861279362 0.74949331512262 87.620 > 53 54 Sr 0.88195318100880 0.22540861279362 0.74949331512262 87.620 > 53 55 Sr 0.38195318100880 0.72540861279362 0.74949331512262 87.620 > 53 56 Sr 0.88195318100880 0.72540861279362 0.74949331512262 87.620 > 53 57 Sr 0.38195318100880 0.02459138720638 0.24949331512262 87.620 > 57 58 Sr 0.88195318100880 0.02459138720638 0.24949331512262 87.620 > 57 59 Sr 0.38195318100880 0.52459138720638 0.24949331512262 87.620 > 57 60 Sr 0.88195318100880 0.52459138720638 0.24949331512262 87.620 > 57 61 Sr 0.11804681899120 0.27459138720638 0.25050668487738 87.620 > 61 62 Sr 0.61804681899120 0.27459138720638 0.25050668487738 87.620 > 61 63 Sr 0.11804681899120 0.77459138720638 0.25050668487738 87.620 > 61 64 Sr 0.61804681899120 0.77459138720638 0.25050668487738 87.620 > 61 65 Nd 0.25000000000000 0.25000000000000 0.00000000000000 144.242 > 65 66 Nd 0.75000000000000 0.25000000000000 0.00000000000000 144.242 > 65 67 Nd 0.25000000000000 0.75000000000000 0.00000000000000 144.242 > 65 68 Nd 0.75000000000000 0.75000000000000 0.00000000000000 144.242 > 65 69 Nd 0.25000000000000 0.00000000000000 0.50000000000000 144.242 > 69 70 Nd 0.75000000000000 0.00000000000000 0.50000000000000 144.242 > 69 71 Nd 0.25000000000000 0.50000000000000 0.50000000000000 144.242 > 69 72 Nd 0.75000000000000 0.50000000000000 0.50000000000000 144.242 > 69 73 Bi 0.00000000000000 0.25000000000000 0.50000000000000 208.980 > 73 74 Bi 0.50000000000000 0.25000000000000 0.50000000000000 208.980 > 73 75 Bi 0.00000000000000 0.75000000000000 0.50000000000000 208.980 > 73 76 Bi 0.50000000000000 0.75000000000000 0.50000000000000 208.980 > 73 77 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 77 78 Bi 0.50000000000000 0.00000000000000 0.00000000000000 208.980 > 77 79 Bi 0.00000000000000 0.50000000000000 0.00000000000000 208.980 > 77 80 Bi 0.50000000000000 0.50000000000000 0.00000000000000 208.980 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8012161 0.0000000 0.0064339 0.0000000 4.9084926 0.0000000 0.0064376 0.0000000 4.7224941 -------------------------- Born effective charges -------------------------- 1 O -2.6442712 -0.7756809 0.0556497 -0.7885258 -2.6922929 -0.0653171 0.0259410 -0.0212489 -1.8464563 2 O -2.6442712 0.7756809 0.0556497 0.7885258 -2.6922929 0.0653171 0.0259410 0.0212489 -1.8464563 3 O -2.6442712 -0.7756809 0.0556497 -0.7885258 -2.6922929 -0.0653171 0.0259410 -0.0212489 -1.8464563 4 O -2.6442712 0.7756809 0.0556497 0.7885258 -2.6922929 0.0653171 0.0259410 0.0212489 -1.8464563 5 O -2.4955700 0.7347698 0.0909891 0.7641324 -2.8149610 -0.1431358 0.0410435 -0.1858756 -1.8289359 6 O -2.4955700 -0.7347698 0.0909891 -0.7641324 -2.8149610 0.1431358 0.0410435 0.1858756 -1.8289359 7 O -2.4955700 0.7347698 0.0909891 0.7641324 -2.8149610 -0.1431358 0.0410435 -0.1858756 -1.8289359 8 O -2.4955700 -0.7347698 0.0909891 -0.7641324 -2.8149610 0.1431358 0.0410435 0.1858756 -1.8289359 9 O -2.0171541 0.0754597 -0.1108819 0.2054473 -1.7787855 -0.0410400 -0.0934835 -0.0123274 -3.3410869 10 O -2.0171541 -0.0754597 -0.1108819 -0.2054473 -1.7787855 0.0410400 -0.0934835 0.0123274 -3.3410869 11 O -2.0171541 0.0754597 -0.1108819 0.2054473 -1.7787855 -0.0410400 -0.0934835 -0.0123274 -3.3410869 12 O -2.0171541 -0.0754597 -0.1108819 -0.2054473 -1.7787855 0.0410400 -0.0934835 0.0123274 -3.3410869 13 Sr 2.5128179 -0.1094979 -0.0727462 -0.2150023 2.4910098 -0.0084971 0.0406847 0.0759555 2.3578020 14 Sr 2.5128179 0.1094979 -0.0727462 0.2150023 2.4910098 0.0084971 0.0406847 -0.0759555 2.3578020 15 Sr 2.5128179 -0.1094979 -0.0727462 -0.2150023 2.4910098 -0.0084971 0.0406847 0.0759555 2.3578020 16 Sr 2.5128179 0.1094979 -0.0727462 0.2150023 2.4910098 0.0084971 0.0406847 -0.0759555 2.3578020 17 Nd 4.4366766 0.3690335 0.6269890 -0.2780066 4.5989462 -0.1221655 -0.4573217 -0.3117192 4.4384767 18 Nd 4.4366766 -0.3690335 0.6269890 0.2780066 4.5989462 0.1221655 -0.4573217 0.3117192 4.4384767 19 Bi 4.8516782 0.3076687 -0.5530105 -0.2771697 4.9911128 0.0842337 0.4289504 0.2023039 4.8788773 20 Bi 4.8516782 -0.3076687 -0.5530105 0.2771697 4.9911128 -0.0842337 0.4289504 -0.2023039 4.8788773 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 10 8 6 ] 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: 0.61, Number of G-points: 315, Lambda: 0.14 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 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 2.050 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.328 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.481 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 7.610 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 8.339 ( 0.000 0.000 0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.398 ( 0.000 0.000 0.000) 0.000 9.539 ( 0.000 0.000 0.000) 0.000 9.886 ( 0.000 0.000 0.000) 0.000 10.142 ( 0.000 0.000 0.000) 0.000 10.517 ( 0.000 0.000 0.000) 0.000 10.553 ( 0.000 0.000 0.000) 0.000 10.646 ( 0.000 0.000 0.000) 0.000 11.685 ( 0.000 0.000 0.000) 0.000 11.728 ( 0.000 0.000 0.000) 0.000 14.782 ( 0.000 0.000 0.000) 0.000 14.868 ( 0.000 0.000 0.000) 0.000 15.086 ( 0.000 0.000 0.000) 0.000 15.118 ( 0.000 0.000 0.000) 0.000 15.145 ( 0.000 0.000 0.000) 0.000 15.455 ( 0.000 0.000 0.000) 0.000 15.488 ( 0.000 0.000 0.000) 0.000 15.566 ( 0.000 0.000 0.000) 0.000 15.682 ( 0.000 0.000 0.000) 0.000 18.173 ( 0.000 0.000 0.000) 0.000 18.981 ( 0.000 0.000 0.000) 0.000 19.026 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/160) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 22.258 0.000 16.442) 27.673 0.637 ( 24.500 0.000 18.094) 30.457 1.077 ( 40.621 0.000 31.441) 51.367 2.060 ( 1.624 0.000 -4.484) 4.769 2.354 ( -4.316 0.000 2.406) 4.941 2.533 ( -1.412 0.000 -7.150) 7.288 2.739 ( -4.201 0.000 2.863) 5.084 3.002 ( -2.578 0.000 -6.008) 6.538 3.078 ( -4.224 0.000 15.793) 16.348 3.098 ( -14.147 0.000 -4.480) 14.839 3.119 ( 4.529 0.000 2.523) 5.184 3.361 ( -7.713 0.000 7.125) 10.501 3.501 ( -2.073 0.000 5.428) 5.811 3.562 ( -11.455 0.000 20.182) 23.206 3.628 ( 0.199 0.000 6.005) 6.008 3.979 ( -0.020 0.000 -12.704) 12.704 4.132 ( -3.752 0.000 -3.197) 4.930 4.246 ( 6.739 0.000 -3.393) 7.545 4.361 ( 6.040 0.000 -8.715) 10.604 4.527 ( -3.156 0.000 -1.769) 3.618 4.851 ( -5.078 0.000 8.663) 10.042 5.111 ( -16.788 0.000 -7.373) 18.336 5.217 ( 1.774 0.000 7.685) 7.887 5.379 ( 16.728 0.000 1.970) 16.843 5.649 ( -1.941 0.000 -5.971) 6.278 5.763 ( 1.668 0.000 2.637) 3.120 5.823 ( 0.267 0.000 -7.635) 7.639 6.004 ( -2.939 0.000 -9.065) 9.530 6.141 ( -1.918 0.000 8.593) 8.804 6.558 ( 0.515 0.000 2.143) 2.204 6.601 ( -4.834 0.000 -2.588) 5.483 6.981 ( 5.368 0.000 3.348) 6.326 7.600 ( -0.957 0.000 -0.422) 1.046 7.707 ( 1.748 0.000 -2.194) 2.805 7.787 ( 2.389 0.000 5.362) 5.870 8.403 ( 5.791 0.000 2.577) 6.338 8.514 ( -1.809 0.000 -9.817) 9.982 8.976 ( -12.752 0.000 14.160) 19.055 9.177 ( 3.191 0.000 1.932) 3.730 9.528 ( -0.656 0.000 -0.463) 0.803 9.896 ( -1.764 0.000 4.106) 4.469 10.051 ( -6.174 0.000 -1.382) 6.327 10.419 ( -8.957 0.000 -2.598) 9.327 10.538 ( -4.177 0.000 0.554) 4.213 10.787 ( 13.465 0.000 3.219) 13.844 11.558 ( 22.467 0.000 -25.216) 33.773 11.683 ( 2.557 0.000 -3.916) 4.677 11.768 ( 5.224 0.000 -1.552) 5.449 14.703 ( -3.406 0.000 -8.752) 9.392 14.758 ( -18.756 0.000 5.474) 19.539 15.011 ( -8.746 0.000 -5.646) 10.410 15.040 ( -11.524 0.000 2.956) 11.897 15.389 ( -2.586 0.000 12.275) 12.544 15.409 ( -2.079 0.000 1.879) 2.802 15.654 ( 4.820 0.000 9.425) 10.586 15.675 ( 7.660 0.000 1.875) 7.886 18.198 ( 3.229 0.000 -0.590) 3.283 18.236 ( 11.301 0.000 -14.264) 18.198 18.975 ( -1.418 0.000 1.047) 1.763 19.019 ( -1.858 0.000 1.436) 2.349 ======================= Grid point 2 (3/160) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 19.888 0.000 15.545) 25.242 1.233 ( 21.928 0.000 16.640) 27.527 1.941 ( -2.906 0.000 -11.097) 11.471 2.061 ( 35.002 0.000 24.708) 42.844 2.266 ( -0.757 0.000 -9.313) 9.343 2.495 ( -0.194 0.000 -4.558) 4.562 2.736 ( -2.859 0.000 6.678) 7.264 2.770 ( -14.627 0.000 -1.565) 14.711 2.856 ( -1.766 0.000 -8.402) 8.586 3.139 ( -17.215 0.000 10.416) 20.120 3.241 ( 2.995 0.000 2.735) 4.056 3.291 ( -4.952 0.000 16.589) 17.312 3.447 ( -19.863 0.000 0.707) 19.876 3.604 ( 3.412 0.000 12.191) 12.660 3.747 ( 3.411 0.000 3.747) 5.067 3.866 ( 1.247 0.000 -2.607) 2.890 4.000 ( -1.515 0.000 -10.031) 10.144 4.288 ( 0.207 0.000 -7.708) 7.710 4.340 ( 4.422 0.000 0.820) 4.498 4.565 ( 9.737 0.000 -5.138) 11.010 4.724 ( -12.839 0.000 -10.190) 16.392 4.882 ( -6.054 0.000 7.367) 9.535 5.321 ( -0.257 0.000 10.616) 10.619 5.404 ( -11.946 0.000 -10.022) 15.594 5.705 ( 8.333 0.000 2.270) 8.637 5.760 ( 7.355 0.000 -5.915) 9.438 5.802 ( -0.400 0.000 -1.283) 1.344 5.906 ( -0.579 0.000 -2.995) 3.051 6.123 ( -10.130 0.000 3.563) 10.738 6.520 ( 0.372 0.000 0.012) 0.372 6.569 ( 0.166 0.000 -1.404) 1.414 7.087 ( 3.795 0.000 0.240) 3.802 7.565 ( -2.124 0.000 -1.394) 2.541 7.723 ( 4.104 0.000 -4.104) 5.804 7.933 ( 4.573 0.000 9.232) 10.302 8.346 ( -4.240 0.000 -8.211) 9.241 8.587 ( 10.674 0.000 4.428) 11.556 8.939 ( -6.014 0.000 6.929) 9.175 9.248 ( 2.626 0.000 1.919) 3.252 9.522 ( 0.632 0.000 0.431) 0.764 9.908 ( -4.947 0.000 6.152) 7.895 9.935 ( -6.491 0.000 -0.311) 6.498 10.199 ( -10.664 0.000 -4.451) 11.555 10.443 ( -5.481 0.000 -2.064) 5.857 11.089 ( 15.160 0.000 5.156) 16.012 11.662 ( 11.840 0.000 -7.503) 14.017 11.676 ( 3.509 0.000 -6.312) 7.222 11.845 ( 6.149 0.000 -2.228) 6.540 14.489 ( -6.151 0.000 -12.343) 13.791 14.505 ( -15.030 0.000 1.118) 15.072 14.759 ( -13.155 0.000 -3.096) 13.515 14.797 ( -16.568 0.000 -2.479) 16.753 15.485 ( 1.939 0.000 10.093) 10.277 15.501 ( 4.854 0.000 1.447) 5.065 15.817 ( 5.937 0.000 2.115) 6.302 15.819 ( 3.164 0.000 7.227) 7.889 18.256 ( 5.031 0.000 -1.832) 5.354 18.270 ( 6.813 0.000 -6.231) 9.233 18.955 ( -2.860 0.000 1.421) 3.194 18.995 ( -3.415 0.000 2.000) 3.958 ======================= Grid point 3 (4/160) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 13.700 0.000 12.830) 18.770 1.736 ( 11.954 0.000 8.138) 14.461 1.795 ( 3.544 0.000 -2.461) 4.315 2.108 ( -1.703 0.000 -11.078) 11.208 2.266 ( -11.134 0.000 -7.160) 13.238 2.638 ( 8.001 0.000 -3.002) 8.546 2.715 ( -0.937 0.000 3.612) 3.731 2.772 ( -2.884 0.000 5.114) 5.871 2.885 ( 7.121 0.000 8.193) 10.855 2.892 ( -17.422 0.000 3.969) 17.868 2.997 ( -20.454 0.000 -7.427) 21.761 3.361 ( 10.887 0.000 5.364) 12.137 3.397 ( -5.615 0.000 7.478) 9.351 3.793 ( -0.016 0.000 1.883) 1.883 3.854 ( 2.015 0.000 11.311) 11.489 3.912 ( 2.831 0.000 -5.368) 6.068 3.960 ( 10.715 0.000 7.878) 13.299 4.234 ( 3.030 0.000 -5.172) 5.994 4.394 ( -0.170 0.000 2.750) 2.755 4.425 ( -10.126 0.000 -6.196) 11.871 4.685 ( 11.710 0.000 -6.765) 13.523 4.845 ( -4.268 0.000 0.363) 4.284 5.084 ( -10.676 0.000 -10.712) 15.124 5.440 ( -2.559 0.000 8.149) 8.541 5.622 ( -8.672 0.000 1.581) 8.815 5.708 ( -7.288 0.000 -3.659) 8.155 5.876 ( -1.291 0.000 -2.144) 2.503 5.896 ( 0.427 0.000 0.845) 0.947 5.993 ( -0.191 0.000 -1.533) 1.545 6.529 ( -1.117 0.000 -3.695) 3.861 6.646 ( 9.415 0.000 5.157) 10.735 7.123 ( 0.528 0.000 0.713) 0.887 7.493 ( -3.294 0.000 -3.104) 4.526 7.715 ( 1.414 0.000 -6.215) 6.374 8.144 ( 6.758 0.000 9.943) 12.022 8.218 ( -1.113 0.000 -5.165) 5.284 8.830 ( 10.848 0.000 4.435) 11.719 8.950 ( 0.442 0.000 3.736) 3.762 9.310 ( 1.671 0.000 2.259) 2.810 9.582 ( 4.306 0.000 3.046) 5.275 9.797 ( -12.873 0.000 -0.869) 12.902 9.813 ( -7.668 0.000 -0.569) 7.689 10.046 ( -3.810 0.000 0.903) 3.916 10.325 ( -4.882 0.000 -2.470) 5.471 11.384 ( 12.718 0.000 4.174) 13.386 11.651 ( 2.898 0.000 -7.002) 7.578 11.761 ( 5.960 0.000 -1.758) 6.213 11.915 ( 4.446 0.000 -1.352) 4.647 14.244 ( -5.716 0.000 -11.276) 12.642 14.299 ( -9.892 0.000 -0.157) 9.893 14.480 ( -14.521 0.000 -4.835) 15.305 14.528 ( -10.847 0.000 -1.225) 10.916 15.572 ( 3.966 0.000 -1.936) 4.413 15.660 ( 1.474 0.000 13.097) 13.180 15.917 ( 3.680 0.000 1.097) 3.840 15.931 ( 1.479 0.000 5.403) 5.602 18.316 ( 5.049 0.000 -3.109) 5.929 18.320 ( 5.771 0.000 -2.870) 6.445 18.913 ( -3.731 0.000 1.070) 3.881 18.950 ( -4.346 0.000 1.606) 4.633 ======================= Grid point 4 (5/160) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -4.280 0.000 -4.891) 6.499 1.800 ( -0.168 0.000 2.508) 2.514 1.994 ( -1.788 0.000 -1.931) 2.632 2.034 ( 4.337 0.000 -0.866) 4.422 2.229 ( 7.318 0.000 9.718) 12.166 2.530 ( -6.628 0.000 -11.151) 12.972 2.550 ( -15.623 0.000 0.157) 15.624 2.677 ( 3.814 0.000 -1.675) 4.166 2.854 ( 4.077 0.000 2.157) 4.612 2.864 ( 0.097 0.000 1.329) 1.333 2.947 ( -7.285 0.000 5.199) 8.950 3.252 ( -8.469 0.000 -7.106) 11.056 3.705 ( 14.274 0.000 1.921) 14.403 3.828 ( -1.371 0.000 3.411) 3.676 3.934 ( -1.348 0.000 8.431) 8.538 3.937 ( 2.980 0.000 0.171) 2.985 4.248 ( 0.569 0.000 -0.514) 0.767 4.278 ( 6.691 0.000 -1.724) 6.909 4.377 ( 12.465 0.000 12.914) 17.949 4.413 ( -1.431 0.000 2.575) 2.946 4.758 ( -2.742 0.000 -4.211) 5.026 4.783 ( 9.835 0.000 -7.340) 12.272 4.825 ( -6.726 0.000 -6.130) 9.100 5.245 ( -19.202 0.000 1.402) 19.253 5.476 ( -12.411 0.000 -6.716) 14.111 5.636 ( 0.431 0.000 4.123) 4.145 5.841 ( -0.698 0.000 2.673) 2.762 5.923 ( 0.809 0.000 1.333) 1.559 5.987 ( 1.215 0.000 -3.514) 3.718 6.462 ( -1.716 0.000 -2.693) 3.193 6.878 ( 8.532 0.000 5.788) 10.310 7.135 ( -0.299 0.000 1.206) 1.242 7.388 ( -3.612 0.000 -4.240) 5.570 7.642 ( -1.024 0.000 -4.930) 5.035 8.176 ( 0.597 0.000 -2.457) 2.529 8.369 ( 7.007 0.000 6.983) 9.893 9.034 ( 7.804 0.000 3.926) 8.735 9.042 ( 5.793 0.000 1.973) 6.120 9.344 ( -1.025 0.000 1.769) 2.045 9.531 ( -12.399 0.000 -5.027) 13.379 9.673 ( -6.714 0.000 -1.170) 6.815 9.719 ( 5.350 0.000 3.577) 6.436 10.024 ( -2.354 0.000 2.325) 3.309 10.235 ( -2.763 0.000 -1.519) 3.154 11.599 ( 8.097 0.000 2.123) 8.371 11.616 ( 1.473 0.000 -4.884) 5.101 11.812 ( 1.216 0.000 0.029) 1.217 11.961 ( 2.152 0.000 -0.315) 2.175 14.058 ( -3.284 0.000 -6.885) 7.628 14.174 ( -4.545 0.000 -0.436) 4.566 14.236 ( -8.143 0.000 -3.235) 8.762 14.377 ( -6.066 0.000 -0.023) 6.066 15.597 ( 1.980 0.000 -1.966) 2.790 15.803 ( -0.483 0.000 9.056) 9.069 15.971 ( 2.145 0.000 0.099) 2.148 15.997 ( 0.593 0.000 3.013) 3.070 18.361 ( 3.073 0.000 -1.289) 3.333 18.381 ( 4.752 0.000 -2.287) 5.274 18.862 ( -2.941 0.000 0.468) 2.978 18.894 ( -3.659 0.000 0.860) 3.759 ======================= Grid point 5 (6/160) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 -0.000) 0.000 2.096 ( -0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.742 ( -0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 -0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.376 ( -0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 -0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.741 ( 0.000 0.000 -0.000) 0.000 4.791 ( -0.000 0.000 0.000) 0.000 4.839 ( -0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 -0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 7.003 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.314 ( 0.000 0.000 -0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 8.168 ( 0.000 0.000 0.000) 0.000 8.483 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.166 ( -0.000 0.000 -0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 9.341 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 9.795 ( 0.000 0.000 0.000) 0.000 10.016 ( 0.000 0.000 0.000) 0.000 10.202 ( 0.000 0.000 0.000) 0.000 11.598 ( 0.000 0.000 0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 11.815 ( 0.000 0.000 0.000) 0.000 11.977 ( 0.000 0.000 0.000) 0.000 13.988 ( 0.000 0.000 0.000) 0.000 14.133 ( 0.000 0.000 0.000) 0.000 14.147 ( 0.000 0.000 0.000) 0.000 14.326 ( 0.000 0.000 0.000) 0.000 15.601 ( 0.000 0.000 0.000) 0.000 15.851 ( 0.000 0.000 0.000) 0.000 15.991 ( 0.000 0.000 0.000) 0.000 16.020 ( 0.000 0.000 0.000) 0.000 18.381 ( 0.000 0.000 0.000) 0.000 18.411 ( 0.000 0.000 0.000) 0.000 18.838 ( 0.000 0.000 0.000) 0.000 18.865 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/160) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 0.000 28.292 0.000) 28.292 0.673 ( 0.000 32.011 0.000) 32.011 1.132 ( 0.000 53.899 0.000) 53.899 2.155 ( 0.000 9.251 0.000) 9.251 2.345 ( 0.000 9.365 0.000) 9.365 2.675 ( 0.000 -4.099 0.000) 4.099 2.725 ( 0.000 -3.553 0.000) 3.553 2.829 ( 0.000 -10.814 0.000) 10.814 3.041 ( 0.000 -3.206 0.000) 3.206 3.085 ( 0.000 -9.153 0.000) 9.153 3.136 ( 0.000 0.434 0.000) 0.434 3.348 ( 0.000 0.727 0.000) 0.727 3.369 ( 0.000 -10.366 0.000) 10.366 3.418 ( 0.000 8.438 0.000) 8.438 3.632 ( 0.000 -0.835 0.000) 0.835 3.967 ( 0.000 1.532 0.000) 1.532 4.145 ( 0.000 -3.028 0.000) 3.028 4.199 ( 0.000 -12.047 0.000) 12.047 4.561 ( 0.000 7.881 0.000) 7.881 4.640 ( 0.000 0.027 0.000) 0.027 4.832 ( 0.000 7.697 0.000) 7.697 4.936 ( 0.000 -3.486 0.000) 3.486 4.996 ( 0.000 -6.624 0.000) 6.624 5.407 ( 0.000 2.204 0.000) 2.204 5.467 ( 0.000 -5.690 0.000) 5.690 5.707 ( 0.000 -0.742 0.000) 0.742 5.915 ( 0.000 -0.427 0.000) 0.427 6.111 ( 0.000 0.713 0.000) 0.713 6.201 ( 0.000 5.284 0.000) 5.284 6.468 ( 0.000 -1.742 0.000) 1.742 6.681 ( 0.000 13.546 0.000) 13.546 6.825 ( 0.000 8.552 0.000) 8.552 7.563 ( 0.000 -4.398 0.000) 4.398 7.609 ( 0.000 -8.440 0.000) 8.440 8.325 ( 0.000 1.711 0.000) 1.711 8.393 ( 0.000 -4.942 0.000) 4.942 8.995 ( 0.000 4.501 0.000) 4.501 9.090 ( 0.000 -2.306 0.000) 2.306 9.373 ( 0.000 -0.801 0.000) 0.801 9.619 ( 0.000 6.039 0.000) 6.039 9.664 ( 0.000 -0.122 0.000) 0.122 10.048 ( 0.000 -7.488 0.000) 7.488 10.509 ( 0.000 -4.018 0.000) 4.018 10.577 ( 0.000 -2.514 0.000) 2.514 10.620 ( 0.000 8.510 0.000) 8.510 10.679 ( 0.000 5.420 0.000) 5.420 11.703 ( 0.000 1.494 0.000) 1.494 11.871 ( 0.000 -1.752 0.000) 1.752 14.811 ( 0.000 0.689 0.000) 0.689 14.861 ( 0.000 -1.023 0.000) 1.023 15.058 ( 0.000 -8.896 0.000) 8.896 15.081 ( 0.000 -1.250 0.000) 1.250 15.152 ( 0.000 -15.451 0.000) 15.451 15.334 ( 0.000 -5.604 0.000) 5.604 15.749 ( 0.000 11.326 0.000) 11.326 15.833 ( 0.000 9.349 0.000) 9.349 18.197 ( 0.000 2.396 0.000) 2.396 18.412 ( 0.000 -0.336 0.000) 0.336 18.995 ( 0.000 1.114 0.000) 1.114 19.009 ( 0.000 -1.603 0.000) 1.603 ======================= Grid point 12 (8/160) ======================= q-point: ( 0.10 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 14.888 19.727 8.350) 26.087 0.833 ( 9.800 19.148 18.408) 28.311 1.578 ( 28.965 38.097 18.382) 51.267 2.137 ( 0.265 6.310 -6.333) 8.944 2.355 ( 1.764 1.957 -2.782) 3.831 2.565 ( -5.756 -1.102 -6.541) 8.783 2.709 ( -3.566 -1.779 5.691) 6.947 2.858 ( -0.630 -8.954 3.375) 9.589 3.023 ( -0.403 -4.629 3.171) 5.625 3.073 ( -2.696 -1.665 -4.056) 5.147 3.143 ( -11.769 -1.528 12.822) 17.471 3.321 ( -8.204 -5.572 3.729) 10.595 3.400 ( -1.824 -5.655 10.399) 11.977 3.459 ( -1.573 0.084 4.613) 4.874 3.671 ( 4.170 1.723 3.338) 5.612 3.942 ( -1.086 -3.347 -4.111) 5.411 4.059 ( -5.811 -3.900 -3.388) 7.775 4.270 ( 8.037 -4.539 -4.879) 10.440 4.486 ( -1.823 7.808 -5.382) 9.657 4.612 ( 1.162 8.164 -3.261) 8.868 4.795 ( -3.790 -3.809 3.036) 6.172 4.905 ( -2.564 -9.054 -6.136) 11.234 5.204 ( 9.099 -3.275 4.197) 10.542 5.440 ( 1.795 -1.732 2.451) 3.497 5.551 ( 2.271 -7.027 3.115) 8.015 5.653 ( -2.191 0.061 -1.697) 2.772 5.855 ( -0.423 1.022 -6.121) 6.220 6.006 ( -4.685 2.447 -1.626) 5.530 6.147 ( -3.025 -0.998 6.000) 6.793 6.650 ( -3.062 9.752 -0.586) 10.239 6.759 ( 5.990 9.936 2.000) 11.773 6.870 ( 12.155 -0.225 2.674) 12.448 7.555 ( -4.281 -6.397 -0.973) 7.758 7.590 ( 1.153 -4.076 2.096) 4.727 8.266 ( -8.504 11.152 -5.453) 15.047 8.340 ( 1.934 -3.017 -2.328) 4.273 8.672 ( -6.398 14.065 -14.686) 21.317 9.051 ( -16.324 7.066 12.142) 21.536 9.178 ( 3.896 0.538 2.491) 4.655 9.538 ( -0.042 0.722 -1.812) 1.951 9.858 ( 0.684 -2.446 3.977) 4.719 9.987 ( -5.658 -5.802 0.157) 8.105 10.382 ( -7.708 -3.035 -5.502) 9.945 10.526 ( -5.741 -2.215 1.884) 6.435 10.826 ( 12.720 4.110 4.629) 14.146 11.196 ( 30.167 -13.369 1.023) 33.013 11.715 ( 3.052 1.684 -2.428) 4.247 11.834 ( 1.370 0.269 -5.359) 5.538 14.653 ( -7.691 -0.826 -8.844) 11.749 14.773 ( -3.937 -0.779 -5.477) 6.790 14.961 ( -5.160 0.758 -6.625) 8.431 15.139 ( 2.867 -14.240 2.424) 14.726 15.295 ( -4.784 4.914 5.576) 8.839 15.426 ( 6.596 -11.950 9.866) 16.842 15.562 ( -15.767 7.169 2.165) 17.455 15.814 ( 1.434 9.820 4.734) 10.996 18.160 ( 0.314 2.664 -3.223) 4.193 18.412 ( 6.513 5.120 -7.323) 11.057 18.987 ( -1.391 0.956 0.936) 1.930 19.005 ( -1.667 -1.476 1.247) 2.552 ======================= Grid point 13 (9/160) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 17.839 10.023 12.275) 23.862 1.272 ( 16.748 5.263 16.874) 24.350 1.978 ( -3.505 2.407 -11.788) 12.532 2.299 ( 25.554 17.619 16.795) 35.292 2.330 ( -1.418 5.122 -7.595) 9.270 2.464 ( 0.898 -0.560 -2.490) 2.706 2.692 ( -5.185 -2.084 2.020) 5.942 2.782 ( -5.959 -0.738 0.724) 6.047 2.885 ( -5.580 3.382 -3.306) 7.314 3.095 ( -9.209 -3.971 7.172) 12.330 3.151 ( -3.022 -7.613 6.376) 10.380 3.312 ( -1.710 -0.413 16.927) 17.018 3.364 ( -15.307 -5.460 2.514) 16.445 3.476 ( -0.234 -7.270 6.668) 9.867 3.788 ( -0.267 -2.648 -1.890) 3.264 3.841 ( 4.835 3.892 -4.225) 7.508 3.933 ( -2.578 -4.948 -4.791) 7.354 4.345 ( 1.948 -2.747 0.225) 3.375 4.402 ( 1.727 7.215 -5.416) 9.185 4.610 ( -1.487 2.876 -5.968) 6.790 4.705 ( -0.574 2.643 -8.255) 8.687 4.810 ( -5.000 -6.494 8.020) 11.467 5.336 ( 0.937 -0.431 5.206) 5.308 5.386 ( -9.446 -1.691 -4.323) 10.525 5.541 ( 1.087 -8.813 1.610) 9.025 5.644 ( 2.820 -6.845 -5.791) 9.399 5.822 ( -1.265 -1.927 -2.497) 3.398 6.026 ( -2.148 4.283 1.674) 5.075 6.148 ( 2.741 4.010 4.552) 6.657 6.560 ( -3.445 9.343 -1.961) 10.149 6.804 ( 1.544 15.350 -0.066) 15.428 7.090 ( 7.176 0.321 0.361) 7.192 7.502 ( -0.766 -5.949 -0.028) 5.998 7.642 ( 2.385 -3.310 1.189) 4.250 8.133 ( -1.335 10.281 -1.657) 10.499 8.292 ( -0.636 -2.221 -6.298) 6.709 8.646 ( 6.924 5.066 2.409) 8.912 8.969 ( -7.415 2.890 6.429) 10.230 9.264 ( 2.990 1.716 2.228) 4.104 9.519 ( 0.245 -0.467 -0.937) 1.075 9.861 ( -5.173 -4.286 1.771) 6.948 9.919 ( -5.236 -1.284 5.056) 7.391 10.163 ( -8.855 -3.023 -6.139) 11.191 10.424 ( -6.460 -2.296 -1.233) 6.966 11.118 ( 13.886 2.759 5.492) 15.186 11.536 ( 13.746 -6.845 -2.251) 15.520 11.734 ( 4.479 2.460 -5.554) 7.547 11.836 ( 4.664 -1.149 -2.906) 5.614 14.433 ( -6.697 0.121 -7.745) 10.240 14.583 ( -6.687 -2.326 -9.588) 11.919 14.741 ( -13.169 9.709 -2.640) 16.573 15.045 ( -19.702 13.882 -0.527) 24.107 15.283 ( 8.988 -13.250 2.947) 16.280 15.513 ( 0.930 -2.035 5.289) 5.743 15.667 ( 4.969 -11.156 8.538) 14.902 15.912 ( 2.470 4.724 4.813) 7.182 18.152 ( 2.867 0.194 -3.038) 4.182 18.454 ( 6.374 6.666 -4.906) 10.447 18.962 ( -3.446 0.576 1.462) 3.787 18.987 ( -2.254 -0.786 1.755) 2.963 ======================= Grid point 14 (10/160) ======================= q-point: ( 0.30 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 9.503 2.879 11.177) 14.950 1.754 ( 17.317 1.260 11.973) 21.090 1.820 ( -1.182 3.040 -5.239) 6.171 2.195 ( -1.596 6.442 -9.139) 11.295 2.257 ( -9.247 -0.361 -6.606) 11.370 2.646 ( 4.155 0.928 -5.805) 7.199 2.696 ( 4.091 -1.711 1.223) 4.600 2.795 ( -4.474 1.891 2.180) 5.324 2.866 ( -10.910 -1.330 4.463) 11.862 2.904 ( -7.458 -1.307 6.475) 9.963 2.986 ( -18.805 0.418 -4.868) 19.429 3.310 ( 9.702 -3.365 6.387) 12.093 3.473 ( -0.205 5.983 8.178) 10.135 3.624 ( 5.607 -13.986 7.420) 16.796 3.758 ( 2.704 -8.496 -1.750) 9.087 3.863 ( 0.010 -1.620 8.085) 8.245 3.965 ( 6.305 4.090 -2.674) 7.977 4.316 ( -1.126 0.525 -2.525) 2.814 4.388 ( -5.298 -5.243 -3.630) 8.291 4.459 ( -0.454 4.837 1.761) 5.167 4.680 ( 1.669 4.744 -6.380) 8.124 4.833 ( 0.694 -2.486 -0.261) 2.595 5.157 ( -7.349 5.952 -4.677) 10.550 5.407 ( -3.932 -4.862 3.461) 7.147 5.548 ( -1.649 -5.599 3.175) 6.645 5.616 ( -1.137 -4.517 -2.595) 5.332 5.721 ( -5.955 -7.087 -1.098) 9.321 5.895 ( -7.033 -0.320 -1.852) 7.280 6.308 ( 4.316 17.983 1.489) 18.554 6.539 ( 2.984 4.505 -1.128) 5.520 6.829 ( 2.250 13.190 1.355) 13.449 7.165 ( 2.310 3.987 1.428) 4.824 7.471 ( -2.208 -2.427 -2.394) 4.061 7.682 ( 3.337 -2.390 -4.212) 5.882 8.137 ( 0.349 -1.159 1.374) 1.831 8.259 ( 3.172 3.941 -0.477) 5.081 8.839 ( 9.350 0.971 4.253) 10.317 8.954 ( -0.886 0.462 3.493) 3.634 9.326 ( 1.174 1.490 2.081) 2.816 9.549 ( 3.210 -3.062 1.334) 4.632 9.740 ( -10.578 -4.192 -0.807) 11.407 9.832 ( -8.305 0.890 -0.017) 8.353 10.031 ( -2.551 -1.413 0.788) 3.021 10.301 ( -5.179 -2.458 -2.097) 6.105 11.393 ( 11.324 0.982 4.282) 12.146 11.641 ( 4.605 -1.185 -5.084) 6.961 11.765 ( 4.885 0.712 -1.933) 5.301 11.894 ( 4.787 -1.735 -1.851) 5.418 14.252 ( -3.479 2.862 -8.444) 9.571 14.373 ( -5.866 -0.124 -6.923) 9.075 14.497 ( -12.476 11.679 -0.795) 17.108 14.723 ( -15.971 12.781 -1.705) 20.527 15.468 ( 9.150 -9.858 0.237) 13.452 15.614 ( 2.004 -2.871 7.901) 8.642 15.805 ( 1.480 -7.842 6.299) 10.167 15.986 ( 0.596 1.031 2.902) 3.137 18.184 ( 4.382 -2.067 -1.875) 5.194 18.492 ( 3.837 5.956 -4.155) 8.213 18.912 ( -4.082 0.460 1.549) 4.390 18.967 ( -2.368 0.901 1.284) 2.840 ======================= Grid point 15 (11/160) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -5.166 0.392 -1.642) 5.434 1.848 ( 0.106 4.097 3.471) 5.371 2.050 ( 4.165 3.010 -2.018) 5.521 2.083 ( 0.479 6.787 -3.952) 7.868 2.240 ( 6.293 0.304 9.988) 11.809 2.528 ( -8.573 0.018 -7.587) 11.448 2.584 ( -12.897 2.811 -1.497) 13.284 2.658 ( 3.097 -2.616 -1.724) 4.406 2.776 ( -2.338 -5.713 -3.281) 6.990 2.860 ( 6.790 -0.966 -2.695) 7.369 2.941 ( -5.913 0.661 9.796) 11.461 3.257 ( -7.880 -0.739 -5.450) 9.610 3.697 ( 11.285 -1.326 1.612) 11.477 3.767 ( 0.954 -7.970 2.356) 8.365 3.817 ( 4.025 -8.499 5.043) 10.671 4.007 ( 2.796 4.747 -1.911) 5.831 4.059 ( 3.004 -4.897 12.973) 14.188 4.213 ( -4.496 -2.642 -0.245) 5.221 4.333 ( -1.740 -8.685 0.501) 8.872 4.527 ( 1.254 -10.523 -6.238) 12.297 4.631 ( 3.985 8.547 0.089) 9.431 4.801 ( -0.506 4.373 0.130) 4.405 5.066 ( 2.032 11.573 -4.345) 12.528 5.241 ( -13.946 0.060 1.817) 14.064 5.474 ( -7.872 -1.277 -5.055) 9.442 5.620 ( 0.064 -1.010 2.688) 2.872 5.677 ( -0.108 -8.802 1.303) 8.899 5.812 ( -1.309 -3.030 0.283) 3.313 6.329 ( -0.212 19.073 -0.365) 19.078 6.549 ( 0.096 7.387 -2.275) 7.730 6.952 ( 6.029 6.798 5.408) 10.574 7.200 ( -0.368 5.729 -0.053) 5.741 7.396 ( -2.007 0.912 -2.234) 3.139 7.647 ( 0.430 0.276 -5.657) 5.680 8.158 ( 1.150 -1.497 -0.259) 1.906 8.367 ( 4.964 -0.185 4.297) 6.568 9.016 ( 4.629 -1.980 3.623) 6.203 9.028 ( 6.784 -0.883 1.660) 7.040 9.345 ( -1.661 -0.318 1.412) 2.203 9.492 ( -10.830 -3.881 -4.135) 12.225 9.638 ( 0.509 -2.199 -0.007) 2.257 9.732 ( -1.903 1.271 1.401) 2.683 10.019 ( -2.072 -0.549 2.372) 3.197 10.216 ( -2.393 -2.006 -1.336) 3.396 11.564 ( 3.958 -1.608 0.393) 4.290 11.650 ( 4.539 1.554 -2.702) 5.506 11.817 ( 1.665 0.559 0.428) 1.807 11.941 ( 2.589 -1.730 -0.982) 3.265 14.123 ( -1.092 5.794 -6.771) 8.978 14.244 ( -2.859 3.832 -2.425) 5.361 14.321 ( -7.297 11.047 -0.516) 13.250 14.495 ( -9.066 10.874 -0.533) 14.167 15.567 ( 4.443 -3.521 -2.017) 6.017 15.760 ( 2.650 -3.832 8.417) 9.620 15.874 ( 0.844 -6.782 2.754) 7.368 15.995 ( -1.854 -2.502 0.533) 3.160 18.259 ( 5.770 -2.866 0.081) 6.443 18.468 ( -1.398 2.395 -3.719) 4.639 18.881 ( -1.250 2.334 1.345) 2.970 18.936 ( -2.383 2.565 0.346) 3.518 ======================= Grid point 16 (12/160) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -0.000 2.104 0.000) 2.104 1.829 ( 0.000 4.076 0.000) 4.076 2.023 ( -0.000 6.625 -0.000) 6.625 2.137 ( -0.000 3.774 0.000) 3.774 2.332 ( 0.000 0.924 0.000) 0.924 2.436 ( 0.000 0.126 0.000) 0.126 2.486 ( -0.000 3.339 0.000) 3.339 2.700 ( 0.000 -10.213 0.000) 10.213 2.710 ( -0.000 -3.103 -0.000) 3.103 2.928 ( -0.000 -0.797 0.000) 0.797 2.932 ( 0.000 2.133 -0.000) 2.133 3.135 ( 0.000 2.530 0.000) 2.530 3.780 ( -0.000 -0.830 0.000) 0.830 3.787 ( 0.000 -7.237 -0.000) 7.237 3.894 ( -0.000 -7.935 0.000) 7.935 4.020 ( 0.000 5.563 -0.000) 5.563 4.196 ( 0.000 -5.109 0.000) 5.109 4.239 ( -0.000 -9.017 -0.000) 9.017 4.249 ( 0.000 -12.616 0.000) 12.616 4.450 ( 0.000 -12.242 0.000) 12.242 4.635 ( 0.000 2.325 0.000) 2.325 4.919 ( 0.000 7.923 0.000) 7.923 5.092 ( -0.000 13.278 0.000) 13.278 5.093 ( 0.000 4.503 -0.000) 4.503 5.309 ( 0.000 4.023 -0.000) 4.023 5.627 ( 0.000 -2.578 0.000) 2.578 5.692 ( -0.000 -8.458 0.000) 8.458 5.818 ( 0.000 -3.671 0.000) 3.671 6.324 ( 0.000 18.751 -0.000) 18.751 6.530 ( 0.000 8.417 0.000) 8.417 7.080 ( 0.000 7.109 0.000) 7.109 7.150 ( -0.000 1.286 -0.000) 1.286 7.374 ( 0.000 5.285 0.000) 5.285 7.609 ( 0.000 0.642 0.000) 0.642 8.166 ( 0.000 -0.172 0.000) 0.172 8.450 ( 0.000 -2.997 0.000) 2.997 9.091 ( 0.000 -3.454 -0.000) 3.454 9.129 ( 0.000 -3.130 0.000) 3.130 9.324 ( -0.000 -2.000 -0.000) 2.000 9.333 ( 0.000 0.110 0.000) 0.110 9.616 ( 0.000 1.404 0.000) 1.404 9.759 ( 0.000 -2.520 0.000) 2.520 10.014 ( 0.000 -0.330 0.000) 0.330 10.188 ( 0.000 -1.547 0.000) 1.547 11.578 ( 0.000 -1.497 0.000) 1.497 11.696 ( 0.000 0.684 0.000) 0.684 11.831 ( 0.000 1.266 0.000) 1.266 11.957 ( 0.000 -1.776 0.000) 1.776 14.072 ( 0.000 7.184 0.000) 7.184 14.212 ( 0.000 6.099 0.000) 6.099 14.250 ( 0.000 10.416 0.000) 10.416 14.415 ( 0.000 9.494 0.000) 9.494 15.590 ( 0.000 -1.403 0.000) 1.403 15.842 ( 0.000 -1.014 0.000) 1.014 15.913 ( -0.000 -7.314 -0.000) 7.314 15.957 ( 0.000 -5.677 0.000) 5.677 18.367 ( 0.000 -2.704 0.000) 2.704 18.374 ( -0.000 -0.114 -0.000) 0.114 18.895 ( 0.000 4.073 0.000) 4.073 18.903 ( -0.000 2.908 -0.000) 2.908 ======================= Grid point 22 (13/160) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.000 25.607 0.000) 25.607 1.291 ( 0.000 28.334 0.000) 28.334 2.142 ( 0.000 41.210 0.000) 41.210 2.325 ( 0.000 -9.657 0.000) 9.657 2.357 ( 0.000 6.052 0.000) 6.052 2.561 ( 0.000 -1.943 0.000) 1.943 2.622 ( 0.000 -9.032 0.000) 9.032 2.743 ( 0.000 1.337 0.000) 1.337 2.916 ( 0.000 -8.505 0.000) 8.505 3.015 ( 0.000 3.744 0.000) 3.744 3.146 ( 0.000 -1.949 0.000) 1.949 3.174 ( 0.000 -3.466 0.000) 3.466 3.360 ( 0.000 0.977 0.000) 0.977 3.535 ( 0.000 -9.917 0.000) 9.917 3.619 ( 0.000 9.355 0.000) 9.355 3.885 ( 0.000 -15.230 0.000) 15.230 3.901 ( 0.000 -1.859 0.000) 1.859 4.260 ( 0.000 9.974 0.000) 9.974 4.603 ( 0.000 -3.414 0.000) 3.414 4.727 ( 0.000 6.790 0.000) 6.790 4.846 ( 0.000 -7.467 0.000) 7.467 4.879 ( 0.000 -1.879 0.000) 1.879 4.964 ( 0.000 4.170 0.000) 4.170 5.358 ( 0.000 -4.098 0.000) 4.098 5.451 ( 0.000 1.168 0.000) 1.168 5.716 ( 0.000 -1.924 0.000) 1.924 5.872 ( 0.000 -0.020 0.000) 0.020 6.102 ( 0.000 -1.117 0.000) 1.117 6.282 ( 0.000 2.041 0.000) 2.041 6.414 ( 0.000 -3.348 0.000) 3.348 7.008 ( 0.000 15.938 0.000) 15.938 7.067 ( 0.000 13.924 0.000) 13.924 7.416 ( 0.000 -9.378 0.000) 9.378 7.455 ( 0.000 -4.977 0.000) 4.977 8.267 ( 0.000 -6.764 0.000) 6.764 8.324 ( 0.000 -2.348 0.000) 2.348 9.056 ( 0.000 -0.498 0.000) 0.498 9.115 ( 0.000 6.193 0.000) 6.193 9.388 ( 0.000 2.332 0.000) 2.332 9.645 ( 0.000 -1.797 0.000) 1.797 9.740 ( 0.000 4.593 0.000) 4.593 9.910 ( 0.000 -3.668 0.000) 3.668 10.388 ( 0.000 -7.898 0.000) 7.898 10.481 ( 0.000 -6.316 0.000) 6.316 10.817 ( 0.000 10.050 0.000) 10.050 10.844 ( 0.000 9.474 0.000) 9.474 11.731 ( 0.000 0.940 0.000) 0.940 11.821 ( 0.000 -2.991 0.000) 2.991 14.754 ( 0.000 -10.972 0.000) 10.972 14.792 ( 0.000 -10.127 0.000) 10.127 14.854 ( 0.000 -3.600 0.000) 3.600 14.905 ( 0.000 -2.473 0.000) 2.473 15.093 ( 0.000 0.469 0.000) 0.469 15.263 ( 0.000 -2.378 0.000) 2.378 15.938 ( 0.000 7.307 0.000) 7.307 15.994 ( 0.000 6.079 0.000) 6.079 18.270 ( 0.000 4.624 0.000) 4.624 18.410 ( 0.000 0.249 0.000) 0.249 18.966 ( 0.000 -2.421 0.000) 2.421 19.010 ( 0.000 0.002 0.000) 0.002 ======================= Grid point 23 (14/160) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 6.509 21.610 4.696) 23.052 1.298 ( 0.257 24.108 7.085) 25.129 2.170 ( -4.372 -5.774 -11.699) 13.759 2.293 ( 6.199 12.591 2.756) 14.302 2.473 ( 10.655 17.364 5.657) 21.143 2.515 ( -2.612 7.402 -0.223) 7.852 2.698 ( 0.643 -4.726 0.807) 4.837 2.709 ( -0.936 -3.724 5.876) 7.019 2.884 ( -4.857 -7.621 2.395) 9.349 2.992 ( -2.632 -4.668 2.070) 5.744 3.124 ( -2.548 -1.140 2.229) 3.573 3.198 ( -4.339 -2.371 5.258) 7.218 3.404 ( -1.758 1.606 5.495) 5.988 3.470 ( -5.525 -0.515 -3.931) 6.801 3.690 ( 2.207 2.686 3.953) 5.264 3.879 ( 3.058 -0.912 4.973) 5.908 3.945 ( -1.006 -10.421 -1.033) 10.521 4.225 ( 2.039 4.855 -5.298) 7.470 4.566 ( -6.959 0.243 2.830) 7.516 4.662 ( -5.127 -5.702 -2.156) 7.966 4.788 ( 6.990 5.827 -4.766) 10.273 4.867 ( -5.295 2.017 -5.071) 7.604 5.101 ( 10.141 -5.979 2.399) 12.015 5.336 ( -4.810 -5.714 1.621) 7.642 5.454 ( -0.239 -2.904 4.849) 5.657 5.685 ( -5.393 -2.345 -4.070) 7.152 5.861 ( -2.156 1.246 -3.125) 3.996 6.073 ( -3.921 -0.039 -0.283) 3.931 6.111 ( 3.031 2.720 1.046) 4.205 6.736 ( 13.608 -1.828 6.139) 15.040 6.973 ( -0.153 13.079 -2.182) 13.261 7.082 ( 2.882 14.727 -1.231) 15.056 7.395 ( -1.853 -8.165 -0.559) 8.392 7.504 ( 3.106 -3.679 2.358) 5.362 8.205 ( -2.497 -5.677 -3.050) 6.912 8.363 ( 0.748 -1.507 1.980) 2.598 8.908 ( -4.987 8.198 -9.158) 13.265 9.201 ( 0.334 4.404 -3.967) 5.937 9.235 ( -12.484 6.846 11.144) 18.081 9.543 ( 0.023 -0.468 -4.343) 4.368 9.845 ( 1.686 0.131 4.116) 4.450 9.854 ( -5.185 -4.392 -0.416) 6.807 10.297 ( -6.071 -5.596 -6.714) 10.642 10.432 ( -5.594 -6.740 2.066) 9.000 10.946 ( 9.812 7.086 5.079) 13.126 11.105 ( 19.740 1.693 4.271) 20.267 11.746 ( 3.042 1.079 -1.777) 3.685 11.807 ( 0.923 -2.139 -3.057) 3.843 14.647 ( -4.420 -0.846 -9.633) 10.632 14.753 ( -3.870 -1.206 -9.789) 10.595 14.831 ( 8.026 -12.836 -2.739) 15.385 14.941 ( 3.782 -5.930 2.836) 7.584 15.210 ( 3.363 -4.395 2.499) 6.072 15.322 ( 0.732 -0.553 11.228) 11.265 15.762 ( -19.035 9.052 0.918) 21.098 15.978 ( -3.086 5.859 3.185) 7.348 18.260 ( 1.111 6.230 -2.878) 6.952 18.450 ( 5.968 0.106 -2.935) 6.652 18.959 ( -1.541 -2.558 1.287) 3.252 19.003 ( -1.404 0.051 0.728) 1.582 ======================= Grid point 24 (15/160) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 11.403 10.965 7.297) 17.421 1.504 ( 7.403 14.836 10.234) 19.485 1.983 ( -2.076 -2.163 -9.473) 9.936 2.300 ( -4.343 -6.044 -1.219) 7.542 2.461 ( -0.303 5.222 -1.692) 5.498 2.609 ( -0.268 0.022 -4.231) 4.240 2.740 ( -0.966 -2.403 0.232) 2.601 2.813 ( -3.796 5.546 10.762) 12.688 2.903 ( -3.709 -2.267 0.382) 4.364 2.993 ( 11.594 3.267 6.150) 13.525 3.081 ( -9.844 -2.305 1.792) 10.268 3.235 ( 3.141 0.452 9.654) 10.163 3.282 ( -9.226 -1.016 -5.268) 10.673 3.465 ( -2.906 3.913 13.530) 14.381 3.662 ( -5.469 -5.687 -1.764) 8.085 3.844 ( -6.337 -4.302 -0.709) 7.692 4.002 ( 6.150 8.017 -3.147) 10.583 4.270 ( 3.850 -2.219 0.424) 4.464 4.450 ( -3.953 -2.454 -4.743) 6.644 4.655 ( -2.222 -3.564 11.865) 12.586 4.672 ( -8.627 1.569 -5.807) 10.517 4.843 ( 4.974 6.262 -4.616) 9.234 5.236 ( 1.004 -8.752 1.353) 8.912 5.313 ( 0.248 -5.309 3.019) 6.112 5.437 ( -5.303 -2.035 -3.845) 6.859 5.561 ( 1.029 -1.145 -0.953) 1.810 5.757 ( -4.756 -3.730 -3.602) 7.036 5.978 ( -8.297 -5.773 0.270) 10.112 6.332 ( 15.291 11.337 3.625) 19.377 6.800 ( -5.576 10.687 1.569) 12.156 7.099 ( 8.525 4.119 -2.616) 9.823 7.126 ( 5.790 12.098 0.762) 13.434 7.368 ( -0.031 -6.390 0.419) 6.404 7.581 ( 3.219 -2.954 0.932) 4.467 8.144 ( -1.532 -2.993 -1.263) 3.591 8.364 ( -0.065 2.758 -2.556) 3.761 8.794 ( 1.360 9.388 -1.982) 9.691 9.053 ( -9.583 5.285 4.316) 11.764 9.316 ( 2.898 2.751 2.825) 4.894 9.493 ( -1.253 -2.325 -3.110) 4.080 9.765 ( -5.316 -3.890 0.875) 6.645 9.896 ( -2.727 -0.582 5.859) 6.488 10.091 ( -6.180 -3.946 -8.138) 10.954 10.336 ( -6.951 -6.268 0.032) 9.360 11.194 ( 11.369 4.451 5.334) 13.324 11.439 ( 14.377 -2.471 1.437) 14.659 11.776 ( 3.221 1.413 -4.055) 5.368 11.805 ( 4.152 -1.398 -2.682) 5.137 14.472 ( -2.583 2.944 -9.306) 10.097 14.553 ( -4.037 0.190 -10.833) 11.562 14.932 ( 0.705 0.535 -2.005) 2.192 15.035 ( 6.034 -3.693 2.674) 7.563 15.226 ( -3.886 -4.075 1.045) 5.727 15.445 ( -8.038 4.048 1.896) 9.197 15.518 ( -0.276 -2.470 9.161) 9.492 15.974 ( -3.669 1.145 5.597) 6.789 18.243 ( 1.240 7.206 -3.238) 7.997 18.519 ( 6.143 0.401 -3.640) 7.152 18.945 ( -2.627 -2.124 2.157) 4.008 18.983 ( -1.771 0.058 0.926) 1.999 ======================= Grid point 25 (16/160) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 0.927 2.820 5.561) 6.304 1.795 ( 15.906 2.839 8.981) 18.486 1.919 ( 2.370 6.479 -0.453) 6.914 2.203 ( -3.451 -2.082 -2.109) 4.549 2.349 ( -4.354 4.946 -4.545) 8.005 2.642 ( -1.256 -3.377 -4.685) 5.910 2.676 ( 6.449 -1.347 -5.980) 8.897 2.793 ( -4.693 -5.713 -2.877) 7.933 2.799 ( -8.252 -0.664 2.509) 8.651 2.897 ( -14.369 4.384 0.535) 15.032 3.017 ( -11.077 1.016 1.104) 11.178 3.207 ( 1.269 -7.549 4.624) 8.943 3.428 ( 4.440 -3.249 7.679) 9.447 3.560 ( -1.390 -5.757 -5.225) 7.898 3.649 ( 5.704 6.253 5.830) 10.278 3.825 ( -1.118 -2.039 14.606) 14.790 4.037 ( 3.508 -1.102 -4.266) 5.632 4.271 ( -3.479 0.375 0.180) 3.503 4.350 ( -4.024 0.607 -1.734) 4.424 4.468 ( -7.551 -2.873 -2.959) 8.604 4.767 ( 0.147 4.793 2.401) 5.363 4.846 ( 1.280 1.375 -2.190) 2.885 5.233 ( -1.681 -4.459 2.957) 5.608 5.290 ( -2.830 0.403 1.869) 3.415 5.448 ( 5.381 -3.572 -0.838) 6.512 5.568 ( -2.287 -3.185 -0.604) 3.967 5.606 ( -4.772 -2.320 -2.826) 6.011 5.851 ( -5.512 -3.690 -0.926) 6.698 6.611 ( 12.130 10.889 1.660) 16.385 6.725 ( -4.640 12.252 1.269) 13.162 7.094 ( -0.668 11.426 -0.901) 11.481 7.276 ( 5.567 6.494 2.795) 8.999 7.395 ( 1.852 -4.300 -1.026) 4.793 7.633 ( 4.539 -2.839 -3.228) 6.252 8.120 ( -1.016 0.374 0.818) 1.357 8.342 ( 1.899 3.161 -2.599) 4.512 8.873 ( 4.592 2.626 3.570) 6.382 8.982 ( -3.009 2.660 2.068) 4.517 9.349 ( -2.067 -0.361 0.674) 2.204 9.467 ( 1.084 -4.882 -1.052) 5.110 9.666 ( -6.941 -1.469 -0.099) 7.095 9.849 ( -5.805 0.765 0.211) 5.859 9.992 ( -0.776 -2.309 0.596) 2.507 10.220 ( -5.246 -5.495 -1.266) 7.702 11.425 ( 8.813 2.066 3.861) 9.841 11.610 ( 6.752 -1.605 -2.177) 7.274 11.788 ( 3.131 1.190 -1.667) 3.741 11.860 ( 5.325 -1.277 -2.911) 6.201 14.346 ( 0.018 5.624 -8.767) 10.416 14.398 ( -2.094 3.192 -6.024) 7.132 14.801 ( -9.997 15.438 -1.314) 18.439 14.993 ( -14.400 11.817 -0.820) 18.646 15.254 ( 11.128 -8.854 1.263) 14.277 15.500 ( 6.919 -9.657 3.647) 12.427 15.644 ( 1.232 -5.137 6.567) 8.428 15.969 ( -3.989 -2.466 3.982) 6.152 18.235 ( 1.599 5.945 -1.648) 6.373 18.549 ( 1.944 0.162 -3.839) 4.306 18.924 ( -2.345 0.155 2.149) 3.184 18.973 ( -0.709 -0.293 0.749) 1.072 ======================= Grid point 26 (17/160) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -3.540 1.826 2.881) 4.916 1.961 ( -1.620 7.071 -0.048) 7.254 2.111 ( 8.266 2.558 5.022) 10.005 2.218 ( 4.841 -0.476 4.312) 6.501 2.259 ( 0.261 7.114 -4.816) 8.595 2.509 ( -6.708 -4.759 -2.445) 8.580 2.565 ( -3.647 -1.737 -5.184) 6.572 2.660 ( -7.803 3.318 -3.082) 9.022 2.676 ( -3.503 -3.306 -5.834) 7.566 2.848 ( 9.085 0.181 -1.826) 9.268 2.982 ( -4.286 2.674 8.143) 9.583 3.198 ( -4.343 -5.237 -1.407) 6.947 3.507 ( 3.249 -12.790 1.735) 13.310 3.569 ( 1.784 -9.841 3.291) 10.529 3.750 ( 2.903 -2.274 0.904) 3.797 3.991 ( -0.275 -4.623 3.462) 5.782 4.029 ( -3.563 -8.152 6.644) 11.103 4.154 ( -5.549 -5.740 -5.432) 9.656 4.258 ( -4.885 9.712 3.042) 11.289 4.379 ( -1.901 0.031 -3.677) 4.139 4.739 ( -1.082 3.237 -4.388) 5.559 4.879 ( 4.160 1.040 4.269) 6.051 5.212 ( -2.030 -0.435 -1.167) 2.382 5.291 ( -1.248 6.212 1.263) 6.461 5.437 ( -3.952 -0.931 -0.861) 4.150 5.542 ( 3.071 -3.184 1.202) 4.584 5.632 ( 1.956 0.499 2.020) 2.856 5.763 ( -3.315 -1.833 -0.867) 3.886 6.683 ( -2.698 13.278 2.320) 13.747 6.729 ( 3.567 10.898 -3.395) 11.959 7.124 ( 2.055 9.197 4.227) 10.328 7.326 ( -0.746 5.285 -3.178) 6.212 7.435 ( 2.354 3.329 4.226) 5.872 7.641 ( 3.306 -1.245 -7.034) 7.871 8.137 ( 0.499 0.135 2.537) 2.589 8.361 ( 1.986 -0.462 -0.554) 2.112 8.966 ( 1.435 -2.413 3.378) 4.392 9.015 ( 4.077 -0.215 0.220) 4.089 9.298 ( -3.435 -4.677 -0.413) 5.817 9.393 ( -6.578 -4.938 -2.131) 8.497 9.636 ( 3.044 2.446 -0.160) 3.908 9.767 ( -4.245 2.153 0.614) 4.799 9.995 ( -1.691 -1.926 2.500) 3.581 10.149 ( -1.581 -4.505 -1.019) 4.882 11.548 ( 2.456 0.171 0.383) 2.491 11.668 ( 4.469 0.187 -1.661) 4.772 11.833 ( 2.045 0.893 0.751) 2.354 11.904 ( 3.259 -1.615 -2.160) 4.230 14.269 ( 1.037 8.123 -5.765) 10.015 14.342 ( 0.436 5.892 -1.988) 6.233 14.630 ( -7.597 17.374 -1.130) 18.996 14.777 ( -9.527 15.168 0.018) 17.912 15.439 ( 9.433 -8.224 -1.020) 12.556 15.662 ( 5.180 -9.382 4.626) 11.673 15.710 ( 0.247 -4.963 4.021) 6.392 15.923 ( -4.725 -4.067 0.435) 6.250 18.270 ( 3.472 3.409 0.560) 4.898 18.488 ( -3.609 0.008 -3.529) 5.048 18.929 ( 0.277 1.643 1.425) 2.193 18.969 ( -0.646 0.468 0.238) 0.832 ======================= Grid point 27 (18/160) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.000 5.679 0.000) 5.679 1.903 ( 0.000 3.483 -0.000) 3.483 2.200 ( 0.000 8.390 -0.000) 8.390 2.229 ( -0.000 4.370 0.000) 4.370 2.345 ( 0.000 0.746 -0.000) 0.746 2.416 ( 0.000 -3.188 -0.000) 3.188 2.521 ( 0.000 -4.061 0.000) 4.061 2.555 ( 0.000 3.814 0.000) 3.814 2.627 ( -0.000 -4.331 0.000) 4.331 2.924 ( -0.000 -0.100 0.000) 0.100 2.986 ( 0.000 2.289 -0.000) 2.289 3.145 ( -0.000 -1.366 -0.000) 1.366 3.561 ( -0.000 -13.748 0.000) 13.748 3.635 ( 0.000 -14.089 0.000) 14.089 3.773 ( 0.000 -4.164 0.000) 4.164 3.918 ( 0.000 -17.983 0.000) 17.983 4.055 ( -0.000 -7.123 0.000) 7.123 4.092 ( 0.000 -2.576 0.000) 2.576 4.245 ( 0.000 12.325 -0.000) 12.325 4.321 ( 0.000 1.282 0.000) 1.282 4.688 ( 0.000 2.604 0.000) 2.604 4.990 ( 0.000 -0.718 0.000) 0.718 5.184 ( -0.000 2.165 0.000) 2.165 5.270 ( 0.000 1.057 0.000) 1.057 5.393 ( 0.000 6.733 -0.000) 6.733 5.608 ( 0.000 1.971 0.000) 1.971 5.622 ( -0.000 0.780 0.000) 0.780 5.746 ( 0.000 -3.514 0.000) 3.514 6.681 ( 0.000 15.389 -0.000) 15.389 6.721 ( 0.000 9.547 0.000) 9.547 7.204 ( 0.000 4.039 0.000) 4.039 7.263 ( -0.000 9.896 -0.000) 9.896 7.499 ( 0.000 6.081 0.000) 6.081 7.611 ( 0.000 -0.993 0.000) 0.993 8.164 ( 0.000 0.234 0.000) 0.234 8.379 ( 0.000 -3.484 0.000) 3.484 9.008 ( 0.000 -4.126 0.000) 4.126 9.056 ( 0.000 -3.647 0.000) 3.647 9.255 ( -0.000 -4.246 -0.000) 4.246 9.311 ( 0.000 -2.411 0.000) 2.411 9.670 ( 0.000 3.997 0.000) 3.997 9.734 ( 0.000 0.494 0.000) 0.494 9.994 ( 0.000 -1.768 0.000) 1.768 10.132 ( 0.000 -3.963 0.000) 3.963 11.560 ( 0.000 0.165 0.000) 0.165 11.704 ( 0.000 -0.118 0.000) 0.118 11.857 ( 0.000 1.115 0.000) 1.115 11.918 ( 0.000 -1.757 0.000) 1.757 14.245 ( 0.000 9.398 0.000) 9.398 14.341 ( 0.000 6.596 0.000) 6.596 14.551 ( 0.000 17.647 0.000) 17.647 14.694 ( 0.000 15.891 0.000) 15.891 15.518 ( 0.000 -6.176 0.000) 6.176 15.709 ( 0.000 -11.074 0.000) 11.074 15.811 ( 0.000 -2.865 0.000) 2.865 15.831 ( -0.000 -5.451 -0.000) 5.451 18.345 ( 0.000 0.745 0.000) 0.745 18.390 ( 0.000 1.531 0.000) 1.531 18.951 ( 0.000 1.362 -0.000) 1.362 18.957 ( 0.000 1.543 0.000) 1.543 ======================= Grid point 33 (19/160) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 0.000 20.208 0.000) 20.208 1.822 ( 0.000 23.399 0.000) 23.399 2.174 ( 0.000 -2.200 0.000) 2.200 2.194 ( 0.000 -11.481 0.000) 11.481 2.416 ( 0.000 -10.918 0.000) 10.918 2.617 ( 0.000 0.443 0.000) 0.443 2.705 ( 0.000 -2.675 0.000) 2.675 2.712 ( 0.000 -7.754 0.000) 7.754 2.778 ( 0.000 10.320 0.000) 10.320 3.092 ( 0.000 0.401 0.000) 0.401 3.114 ( 0.000 -0.937 0.000) 0.937 3.248 ( 0.000 -12.292 0.000) 12.292 3.335 ( 0.000 14.343 0.000) 14.343 3.427 ( 0.000 1.181 0.000) 1.181 3.619 ( 0.000 5.696 0.000) 5.696 3.893 ( 0.000 9.241 0.000) 9.241 3.945 ( 0.000 4.506 0.000) 4.506 4.407 ( 0.000 0.018 0.000) 0.018 4.521 ( 0.000 -3.374 0.000) 3.374 4.697 ( 0.000 -6.938 0.000) 6.938 4.806 ( 0.000 0.897 0.000) 0.897 4.838 ( 0.000 -2.139 0.000) 2.139 5.038 ( 0.000 5.291 0.000) 5.291 5.323 ( 0.000 0.506 0.000) 0.506 5.414 ( 0.000 -5.072 0.000) 5.072 5.572 ( 0.000 -8.985 0.000) 8.985 5.982 ( 0.000 7.971 0.000) 7.971 6.107 ( 0.000 2.095 0.000) 2.095 6.276 ( 0.000 -2.396 0.000) 2.396 6.333 ( 0.000 -4.586 0.000) 4.586 7.195 ( 0.000 0.602 0.000) 0.602 7.238 ( 0.000 -4.513 0.000) 4.513 7.361 ( 0.000 10.750 0.000) 10.750 7.457 ( 0.000 6.109 0.000) 6.109 8.144 ( 0.000 -4.461 0.000) 4.461 8.234 ( 0.000 -5.894 0.000) 5.894 9.076 ( 0.000 2.279 0.000) 2.279 9.188 ( 0.000 0.006 0.000) 0.006 9.463 ( 0.000 4.221 0.000) 4.221 9.596 ( 0.000 -2.797 0.000) 2.797 9.789 ( 0.000 4.048 0.000) 4.048 9.976 ( 0.000 7.687 0.000) 7.687 10.192 ( 0.000 -10.981 0.000) 10.981 10.330 ( 0.000 -8.267 0.000) 8.267 11.002 ( 0.000 7.449 0.000) 7.449 11.022 ( 0.000 6.983 0.000) 6.983 11.735 ( 0.000 -0.478 0.000) 0.478 11.759 ( 0.000 -2.682 0.000) 2.682 14.540 ( 0.000 -8.122 0.000) 8.122 14.555 ( 0.000 -9.011 0.000) 9.011 14.862 ( 0.000 0.938 0.000) 0.938 14.886 ( 0.000 -0.428 0.000) 0.428 15.114 ( 0.000 1.669 0.000) 1.669 15.214 ( 0.000 -2.591 0.000) 2.591 16.051 ( 0.000 3.795 0.000) 3.795 16.080 ( 0.000 2.410 0.000) 2.410 18.368 ( 0.000 4.344 0.000) 4.344 18.422 ( 0.000 0.720 0.000) 0.720 18.926 ( 0.000 -1.011 0.000) 1.011 18.987 ( 0.000 -2.164 0.000) 2.164 ======================= Grid point 34 (20/160) ======================= q-point: ( 0.10 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 1.779 16.732 -1.222) 16.870 1.761 ( -3.316 20.388 2.380) 20.792 2.041 ( -4.587 -4.747 -8.593) 10.836 2.207 ( -2.161 -7.449 3.444) 8.486 2.519 ( 1.999 -8.938 6.461) 11.208 2.578 ( -1.188 -1.506 -1.492) 2.430 2.671 ( -0.868 -0.632 -1.318) 1.700 2.693 ( -3.430 -8.676 0.502) 9.343 2.856 ( 2.611 -0.343 -1.160) 2.878 3.042 ( 2.348 6.382 0.132) 6.801 3.113 ( 1.420 -0.998 -1.088) 2.048 3.260 ( -1.182 11.396 -1.496) 11.555 3.334 ( -0.092 -4.352 8.714) 9.740 3.618 ( 1.185 -12.682 5.595) 13.912 3.659 ( 3.686 19.290 3.289) 19.913 3.823 ( -10.128 8.256 9.139) 15.945 3.998 ( 5.959 4.522 -0.409) 7.492 4.330 ( -6.986 3.072 -1.139) 7.716 4.509 ( -5.639 -6.599 3.739) 9.451 4.566 ( -5.843 -4.149 -1.009) 7.237 4.856 ( 3.277 0.953 -2.737) 4.375 4.913 ( 0.556 2.916 -3.443) 4.546 4.987 ( 2.680 -3.959 0.539) 4.811 5.234 ( -9.162 -5.273 -0.841) 10.604 5.410 ( 3.084 -0.875 0.417) 3.233 5.565 ( -0.652 -7.009 -2.189) 7.371 5.897 ( -9.332 1.657 -2.755) 9.871 6.000 ( -8.927 -3.730 -1.913) 9.862 6.286 ( 14.277 10.652 1.228) 17.855 6.657 ( 16.886 -5.819 3.876) 18.276 7.158 ( -1.747 3.432 -1.488) 4.128 7.241 ( 0.233 -4.742 0.254) 4.754 7.361 ( 1.953 10.131 -2.534) 10.624 7.496 ( 2.613 3.134 0.863) 4.170 8.118 ( -1.128 -1.969 -0.249) 2.283 8.280 ( 0.951 -5.961 4.318) 7.422 9.040 ( -1.684 5.563 -1.921) 6.122 9.237 ( 3.373 -1.663 1.633) 4.100 9.373 ( -12.707 5.901 2.771) 14.281 9.533 ( -1.543 -0.775 -4.547) 4.864 9.789 ( -1.837 1.829 1.417) 2.954 9.936 ( -0.928 6.102 -3.010) 6.867 10.148 ( -3.579 -8.829 -4.022) 10.341 10.272 ( -5.798 -8.399 0.708) 10.231 11.091 ( 7.677 6.476 3.399) 10.603 11.170 ( 11.936 3.015 3.170) 12.712 11.751 ( 2.630 -0.569 -1.237) 2.962 11.766 ( 1.841 -1.536 -1.314) 2.734 14.582 ( 3.589 -5.075 -3.869) 7.321 14.602 ( 7.574 -7.573 -0.678) 10.732 14.759 ( -2.227 0.684 -12.087) 12.309 14.825 ( 2.372 -3.538 -4.029) 5.864 15.207 ( 1.686 1.897 5.800) 6.331 15.297 ( 1.941 -1.775 9.749) 10.098 15.919 ( -13.931 6.450 1.006) 15.385 16.048 ( -5.988 0.985 2.062) 6.409 18.382 ( 2.981 4.956 -2.643) 6.359 18.449 ( 4.281 0.010 -1.897) 4.682 18.917 ( -1.790 -1.005 1.394) 2.481 18.982 ( -1.235 -2.117 0.775) 2.571 ======================= Grid point 35 (21/160) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 4.616 8.857 -0.631) 10.008 1.798 ( 0.033 11.076 -0.320) 11.081 1.938 ( 1.847 0.552 0.720) 2.058 2.195 ( -3.638 -3.346 3.591) 6.110 2.491 ( -6.583 -2.728 1.309) 7.246 2.586 ( -4.105 -8.416 0.294) 9.369 2.631 ( 3.714 0.172 -1.750) 4.109 2.726 ( -1.344 -6.465 5.164) 8.383 2.798 ( 0.859 -2.929 -5.272) 6.092 2.999 ( -0.398 -3.587 -6.484) 7.420 3.220 ( -3.800 7.724 0.347) 8.615 3.262 ( 3.538 2.981 -0.280) 4.635 3.396 ( -4.538 3.919 6.574) 8.897 3.535 ( -11.104 -2.686 3.296) 11.890 3.689 ( -2.549 7.186 9.853) 12.459 3.816 ( -3.813 11.105 3.750) 12.326 4.052 ( -6.586 -4.819 1.548) 8.306 4.299 ( 1.695 3.012 -0.318) 3.471 4.371 ( -2.561 -3.247 -1.305) 4.337 4.601 ( -2.773 -2.785 11.218) 11.887 4.725 ( -5.474 3.522 -2.776) 7.077 4.928 ( 2.558 2.621 -2.899) 4.671 5.058 ( 1.645 -7.490 0.294) 7.674 5.181 ( 1.341 -7.694 4.339) 8.934 5.419 ( -0.237 1.120 -5.907) 6.017 5.551 ( 2.489 -1.376 1.031) 3.026 5.707 ( -6.182 -0.385 -5.820) 8.499 5.846 ( -7.601 -6.343 -1.097) 9.960 6.568 ( 14.681 11.283 2.544) 18.690 6.893 ( 4.734 -1.851 2.286) 5.574 7.168 ( 6.780 3.801 -1.404) 7.899 7.261 ( 1.679 -3.633 0.760) 4.073 7.368 ( 1.708 8.844 -1.544) 9.139 7.534 ( 2.617 -1.499 -1.875) 3.551 8.127 ( 0.213 1.981 2.929) 3.542 8.338 ( 0.480 -4.387 2.946) 5.306 8.995 ( -0.472 9.514 -2.480) 9.843 9.179 ( -11.077 6.803 1.542) 13.090 9.313 ( 2.237 -4.129 2.244) 5.205 9.428 ( -5.361 -3.774 -3.901) 7.629 9.763 ( -2.723 4.359 1.306) 5.303 9.909 ( -1.978 2.041 1.465) 3.197 10.003 ( -3.064 -4.616 -7.712) 9.496 10.176 ( -6.855 -9.075 1.052) 11.422 11.288 ( 9.615 4.514 3.808) 11.284 11.411 ( 11.594 -1.192 1.767) 11.788 11.779 ( 2.761 -0.163 -1.845) 3.325 11.798 ( 4.482 -0.049 -2.532) 5.148 14.532 ( 1.490 2.849 -9.296) 9.837 14.589 ( -1.552 2.805 -10.136) 10.631 14.769 ( 12.222 -7.361 -0.817) 14.291 14.932 ( 9.747 -11.006 2.084) 14.848 15.244 ( -3.075 7.247 2.290) 8.199 15.452 ( 2.598 -2.988 8.126) 9.039 15.661 ( -16.129 10.843 0.780) 19.451 15.957 ( -8.342 -2.900 4.410) 9.872 18.389 ( 1.743 6.024 -3.282) 7.078 18.504 ( 4.914 -1.256 -2.906) 5.846 18.908 ( -1.697 -0.906 2.378) 3.059 18.966 ( -1.643 -1.758 1.038) 2.621 ======================= Grid point 36 (22/160) ======================= q-point: ( 0.30 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -0.036 3.834 -0.371) 3.852 1.845 ( 10.271 1.118 4.084) 11.110 2.064 ( 5.589 6.773 5.641) 10.437 2.179 ( -2.653 -0.061 2.644) 3.746 2.395 ( -3.317 -0.316 -0.910) 3.455 2.508 ( -5.015 -7.612 -2.371) 9.419 2.664 ( 2.297 -0.027 -7.683) 8.019 2.680 ( -0.031 -1.337 0.504) 1.429 2.792 ( -2.014 -2.021 -2.240) 3.628 2.966 ( 2.018 -4.940 0.221) 5.341 3.045 ( -11.804 7.496 -4.259) 14.617 3.138 ( -10.004 -0.016 0.065) 10.005 3.382 ( -4.750 -1.109 4.364) 6.545 3.461 ( -5.614 -2.248 0.942) 6.121 3.669 ( -6.069 -3.806 3.123) 7.815 3.905 ( -7.457 -7.661 0.957) 10.734 3.924 ( -0.934 6.794 10.141) 12.242 4.201 ( -2.847 -5.395 -6.570) 8.965 4.406 ( -0.068 5.781 3.517) 6.767 4.590 ( -4.229 10.647 4.135) 12.180 4.743 ( -0.199 -5.610 0.947) 5.693 4.939 ( 0.106 7.010 -2.927) 7.597 5.083 ( 1.503 -8.325 3.665) 9.219 5.278 ( 0.442 -5.310 9.704) 11.071 5.415 ( 6.695 1.475 -2.418) 7.269 5.522 ( -5.057 -0.081 -7.690) 9.204 5.609 ( 3.006 1.107 -1.153) 3.405 5.756 ( -3.051 -5.283 0.770) 6.149 6.794 ( 8.507 7.547 0.718) 11.394 6.922 ( -1.098 5.037 2.310) 5.649 7.274 ( 3.428 6.457 -0.830) 7.357 7.328 ( 6.082 -0.433 -0.255) 6.103 7.405 ( 2.594 4.233 3.509) 6.079 7.555 ( 4.376 -4.540 -4.073) 7.507 8.168 ( -0.443 4.204 3.074) 5.227 8.357 ( 0.510 -1.992 -1.027) 2.298 8.962 ( -2.001 6.189 0.061) 6.505 9.063 ( -4.090 4.850 0.450) 6.360 9.285 ( -5.747 -5.371 -2.792) 8.347 9.346 ( -0.678 -6.619 -0.364) 6.664 9.724 ( -2.542 6.533 0.678) 7.043 9.865 ( -2.665 0.914 -0.270) 2.830 9.942 ( -0.540 -2.438 0.163) 2.502 10.080 ( -4.307 -7.977 -0.290) 9.071 11.474 ( 7.327 2.688 2.511) 8.199 11.576 ( 7.142 -1.910 -0.558) 7.415 11.809 ( 2.930 0.991 -1.091) 3.280 11.844 ( 4.742 -0.534 -3.207) 5.750 14.462 ( 2.439 5.427 -7.769) 9.786 14.487 ( 0.663 4.680 -5.673) 7.384 14.950 ( 7.360 -2.877 0.039) 7.902 15.103 ( 1.460 -7.294 2.345) 7.800 15.193 ( 0.715 8.905 0.056) 8.933 15.426 ( -6.033 4.405 -0.596) 7.494 15.589 ( 1.004 0.423 5.795) 5.897 15.885 ( -6.192 -5.937 3.903) 9.425 18.369 ( -0.137 6.116 -1.755) 6.364 18.524 ( 0.993 -2.204 -2.867) 3.751 18.918 ( -0.348 -0.216 2.311) 2.347 18.958 ( -0.391 -1.214 0.548) 1.388 ======================= Grid point 37 (23/160) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 0.943 6.117 3.207) 6.971 2.055 ( 1.998 -4.796 0.423) 5.212 2.144 ( 0.888 6.622 4.086) 7.832 2.257 ( 7.033 4.854 6.051) 10.471 2.357 ( -2.382 -0.689 -7.271) 7.682 2.402 ( 0.410 -1.081 2.961) 3.178 2.588 ( 0.083 -1.750 -7.599) 7.799 2.617 ( -3.653 5.301 -3.257) 7.215 2.777 ( -0.961 1.754 -4.754) 5.158 2.839 ( 0.885 2.155 -3.639) 4.321 3.003 ( -7.642 -5.552 3.959) 10.242 3.056 ( 0.426 -4.043 5.851) 7.125 3.325 ( -6.506 -4.942 -1.194) 8.257 3.371 ( -2.705 -8.562 3.252) 9.550 3.605 ( -5.193 -8.769 0.889) 10.230 3.735 ( -10.507 -14.432 -0.447) 17.857 4.014 ( 1.796 2.910 0.773) 3.506 4.100 ( -3.134 -0.809 -0.632) 3.298 4.435 ( -2.230 8.753 4.579) 10.127 4.553 ( -1.589 11.793 -4.222) 12.627 4.749 ( -3.945 -2.929 6.407) 8.074 4.881 ( 4.010 -0.420 -6.509) 7.657 5.144 ( 0.643 -3.132 2.316) 3.948 5.310 ( -3.807 -5.633 -4.516) 8.162 5.468 ( 1.544 4.782 8.595) 9.956 5.563 ( 6.868 2.818 1.783) 7.635 5.635 ( 3.474 0.198 -2.295) 4.168 5.727 ( -2.566 -2.075 0.982) 3.443 6.865 ( 1.051 6.874 1.262) 7.068 6.942 ( 0.704 6.456 -0.822) 6.546 7.298 ( 0.425 7.550 0.854) 7.610 7.412 ( 4.020 4.383 -0.239) 5.952 7.508 ( -0.132 2.010 7.915) 8.167 7.583 ( 6.658 -4.309 -7.764) 11.098 8.178 ( -1.170 3.783 2.031) 4.450 8.339 ( 0.340 -2.097 -3.064) 3.728 8.941 ( -1.714 0.427 2.216) 2.834 9.018 ( -1.234 -0.032 -1.944) 2.303 9.195 ( -1.834 -3.810 -0.995) 4.344 9.291 ( -3.667 -5.209 -1.233) 6.489 9.728 ( 2.351 5.965 -0.202) 6.415 9.822 ( -3.378 3.265 0.888) 4.782 9.939 ( -1.575 -3.508 2.271) 4.466 10.037 ( -0.516 -6.248 -0.620) 6.300 11.572 ( 2.447 1.982 0.160) 3.153 11.657 ( 3.896 -1.279 -0.699) 4.160 11.849 ( 2.139 0.701 0.272) 2.267 11.879 ( 3.195 -0.898 -2.459) 4.130 14.436 ( 2.401 7.561 -4.035) 8.901 14.468 ( 1.871 5.785 -2.154) 6.450 14.948 ( -4.681 10.751 -0.517) 11.737 15.027 ( -6.571 6.966 0.907) 9.619 15.303 ( 8.364 -2.854 -1.041) 8.899 15.456 ( 4.955 -6.577 1.351) 8.345 15.659 ( 1.267 -1.372 3.533) 3.996 15.824 ( -4.919 -5.824 1.011) 7.690 18.360 ( 0.425 4.484 0.178) 4.508 18.475 ( -2.630 -1.259 -2.196) 3.650 18.944 ( 0.668 0.141 1.216) 1.394 18.962 ( 0.253 -0.791 0.133) 0.841 ======================= Grid point 38 (24/160) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 0.000 8.506 0.000) 8.506 1.974 ( 0.000 2.808 0.000) 2.808 2.241 ( 0.000 -2.440 -0.000) 2.440 2.262 ( 0.000 -1.369 0.000) 1.369 2.411 ( -0.000 3.918 -0.000) 3.918 2.431 ( 0.000 6.905 0.000) 6.905 2.545 ( 0.000 4.828 0.000) 4.828 2.561 ( 0.000 -1.520 0.000) 1.520 2.672 ( 0.000 7.693 0.000) 7.693 2.887 ( 0.000 -3.741 0.000) 3.741 2.956 ( 0.000 -8.254 0.000) 8.254 3.088 ( 0.000 -4.000 0.000) 4.000 3.283 ( 0.000 -10.156 0.000) 10.156 3.364 ( 0.000 -11.009 0.000) 11.009 3.580 ( -0.000 -13.309 -0.000) 13.309 3.583 ( 0.000 -10.758 0.000) 10.758 4.037 ( 0.000 2.349 0.000) 2.349 4.067 ( -0.000 0.111 0.000) 0.111 4.447 ( 0.000 9.624 -0.000) 9.624 4.498 ( 0.000 11.026 0.000) 11.026 4.736 ( -0.000 1.613 0.000) 1.613 4.906 ( 0.000 -7.197 0.000) 7.197 5.184 ( 0.000 -0.947 0.000) 0.947 5.220 ( 0.000 -3.437 -0.000) 3.437 5.531 ( 0.000 5.265 0.000) 5.265 5.664 ( -0.000 2.466 -0.000) 2.466 5.666 ( 0.000 -0.925 0.000) 0.925 5.682 ( -0.000 0.456 0.000) 0.456 6.897 ( 0.000 7.125 -0.000) 7.125 6.922 ( 0.000 7.696 0.000) 7.696 7.309 ( -0.000 5.892 0.000) 5.892 7.446 ( 0.000 6.954 -0.000) 6.954 7.559 ( 0.000 -3.518 -0.000) 3.518 7.590 ( -0.000 2.249 0.000) 2.249 8.186 ( 0.000 2.127 0.000) 2.127 8.315 ( 0.000 -3.000 0.000) 3.000 8.945 ( 0.000 -1.589 0.000) 1.589 8.989 ( -0.000 -2.807 0.000) 2.807 9.182 ( 0.000 -2.293 0.000) 2.293 9.242 ( 0.000 -3.870 0.000) 3.870 9.773 ( 0.000 5.843 -0.000) 5.843 9.775 ( -0.000 3.238 0.000) 3.238 9.940 ( 0.000 -3.439 0.000) 3.439 10.032 ( 0.000 -5.711 0.000) 5.711 11.588 ( 0.000 2.322 0.000) 2.322 11.687 ( 0.000 -1.566 0.000) 1.566 11.873 ( 0.000 0.470 -0.000) 0.470 11.891 ( 0.000 -0.908 0.000) 0.908 14.435 ( 0.000 8.502 0.000) 8.502 14.476 ( 0.000 6.071 0.000) 6.071 14.893 ( 0.000 13.391 -0.000) 13.391 14.970 ( -0.000 8.794 0.000) 8.794 15.380 ( -0.000 -4.640 0.000) 4.640 15.508 ( 0.000 -7.041 -0.000) 7.041 15.732 ( 0.000 -4.469 0.000) 4.469 15.745 ( -0.000 -3.533 -0.000) 3.533 18.381 ( -0.000 2.200 0.000) 2.200 18.419 ( 0.000 0.858 0.000) 0.858 18.960 ( -0.000 -0.146 -0.000) 0.146 18.964 ( 0.000 -0.378 0.000) 0.378 ======================= Grid point 44 (25/160) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.000 -13.001 0.000) 13.001 1.950 ( 0.000 13.001 0.000) 13.001 2.181 ( 0.000 -11.761 0.000) 11.761 2.181 ( 0.000 11.761 0.000) 11.761 2.339 ( 0.000 -17.442 0.000) 17.442 2.339 ( 0.000 17.442 0.000) 17.442 2.678 ( 0.000 -0.139 0.000) 0.139 2.678 ( 0.000 0.139 0.000) 0.139 2.979 ( 0.000 -9.591 0.000) 9.591 2.979 ( 0.000 9.591 0.000) 9.591 3.105 ( 0.000 -1.661 0.000) 1.661 3.105 ( 0.000 1.661 0.000) 1.661 3.423 ( 0.000 -1.354 0.000) 1.354 3.423 ( 0.000 1.354 0.000) 1.354 3.983 ( 0.000 -4.977 0.000) 4.977 3.983 ( 0.000 4.977 0.000) 4.977 4.118 ( 0.000 -21.662 0.000) 21.662 4.118 ( 0.000 21.662 0.000) 21.662 4.567 ( 0.000 -5.332 0.000) 5.332 4.567 ( 0.000 5.332 0.000) 5.332 4.809 ( 0.000 -0.475 0.000) 0.475 4.809 ( 0.000 0.475 0.000) 0.475 5.215 ( 0.000 -10.384 0.000) 10.384 5.215 ( 0.000 10.384 0.000) 10.384 5.417 ( 0.000 -5.654 0.000) 5.654 5.417 ( 0.000 5.654 0.000) 5.654 6.125 ( 0.000 -4.078 0.000) 4.078 6.125 ( 0.000 4.078 0.000) 4.078 6.244 ( 0.000 -2.539 0.000) 2.539 6.244 ( 0.000 2.539 0.000) 2.539 7.179 ( 0.000 -0.394 0.000) 0.394 7.179 ( 0.000 0.394 0.000) 0.394 7.521 ( 0.000 -2.675 0.000) 2.675 7.521 ( 0.000 2.675 0.000) 2.675 8.126 ( 0.000 -3.177 0.000) 3.177 8.126 ( 0.000 3.177 0.000) 3.177 9.139 ( 0.000 -3.536 0.000) 3.536 9.139 ( 0.000 3.536 0.000) 3.536 9.536 ( 0.000 -3.089 0.000) 3.089 9.536 ( 0.000 3.089 0.000) 3.089 9.959 ( 0.000 -11.161 0.000) 11.161 9.959 ( 0.000 11.161 0.000) 11.161 10.152 ( 0.000 -8.987 0.000) 8.987 10.152 ( 0.000 8.987 0.000) 8.987 11.092 ( 0.000 -0.664 0.000) 0.664 11.092 ( 0.000 0.664 0.000) 0.664 11.727 ( 0.000 -0.295 0.000) 0.295 11.727 ( 0.000 0.295 0.000) 0.295 14.457 ( 0.000 -0.347 0.000) 0.347 14.457 ( 0.000 0.347 0.000) 0.347 14.877 ( 0.000 -0.531 0.000) 0.531 14.877 ( 0.000 0.531 0.000) 0.531 15.159 ( 0.000 -2.625 0.000) 2.625 15.159 ( 0.000 2.625 0.000) 2.625 16.096 ( 0.000 -0.730 0.000) 0.730 16.096 ( 0.000 0.730 0.000) 0.730 18.424 ( 0.000 -0.983 0.000) 0.983 18.424 ( 0.000 0.983 0.000) 0.983 18.938 ( 0.000 -2.053 0.000) 2.053 18.938 ( 0.000 2.053 0.000) 2.053 ======================= Grid point 46 (26/160) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -2.243 -8.635 -6.873) 11.262 1.904 ( -2.243 8.635 -6.873) 11.262 2.089 ( -5.021 -7.765 3.749) 9.979 2.089 ( -5.021 7.765 3.749) 9.979 2.441 ( 4.360 -5.270 3.286) 7.588 2.441 ( 4.360 5.270 3.286) 7.588 2.616 ( -4.887 -1.711 -0.460) 5.198 2.616 ( -4.887 1.711 -0.460) 5.198 2.967 ( 2.416 -7.025 -8.663) 11.412 2.967 ( 2.416 7.025 -8.663) 11.412 3.201 ( 5.833 -6.649 7.007) 11.284 3.201 ( 5.833 6.649 7.007) 11.284 3.443 ( -2.857 -5.858 5.149) 8.306 3.443 ( -2.857 5.858 5.149) 8.306 3.984 ( -6.301 -5.667 5.099) 9.890 3.984 ( -6.301 5.667 5.099) 9.890 4.150 ( 2.231 -22.438 3.685) 22.848 4.150 ( 2.231 22.438 3.685) 22.848 4.464 ( -8.086 -4.919 0.384) 9.472 4.464 ( -8.086 4.919 0.384) 9.472 4.885 ( 6.705 -2.379 -2.231) 7.456 4.885 ( 6.705 2.379 -2.231) 7.456 5.082 ( -9.706 -8.921 -1.885) 13.317 5.082 ( -9.706 8.921 -1.885) 13.317 5.446 ( 3.269 -4.218 -1.117) 5.452 5.446 ( 3.269 4.218 -1.117) 5.452 5.937 ( -10.364 -2.457 -3.018) 11.070 5.937 ( -10.364 2.457 -3.018) 11.070 6.499 ( 16.782 -9.506 2.501) 19.449 6.499 ( 16.782 9.506 2.501) 19.449 7.180 ( 0.643 -1.027 -0.283) 1.244 7.180 ( 0.643 1.027 -0.283) 1.244 7.513 ( 0.685 -3.563 -2.399) 4.349 7.513 ( 0.685 3.563 -2.399) 4.349 8.154 ( 0.498 -5.180 3.867) 6.483 8.154 ( 0.498 5.180 3.867) 6.483 9.152 ( 0.467 -5.425 1.304) 5.599 9.152 ( 0.467 5.425 1.304) 5.599 9.478 ( -6.483 -4.285 -0.508) 7.788 9.478 ( -6.483 4.285 -0.508) 7.788 9.927 ( 0.284 -9.463 -4.268) 10.384 9.927 ( 0.284 9.463 -4.268) 10.384 10.104 ( -5.347 -7.558 0.078) 9.258 10.104 ( -5.347 7.558 0.078) 9.258 11.184 ( 8.022 -2.094 2.440) 8.642 11.184 ( 8.022 2.094 2.440) 8.642 11.745 ( 2.531 -0.457 -0.684) 2.661 11.745 ( 2.531 0.457 -0.684) 2.661 14.520 ( 7.670 -0.416 -1.044) 7.752 14.520 ( 7.670 0.416 -1.044) 7.752 14.782 ( -1.371 -1.426 -9.546) 9.748 14.782 ( -1.371 1.426 -9.546) 9.748 15.253 ( 2.465 -2.377 8.224) 8.909 15.253 ( 2.465 2.377 8.224) 8.909 16.021 ( -9.287 -3.392 1.381) 9.983 16.021 ( -9.287 3.392 1.381) 9.983 18.443 ( 3.429 -1.130 -2.187) 4.221 18.443 ( 3.429 1.130 -2.187) 4.221 18.931 ( -1.463 -2.197 1.141) 2.876 18.931 ( -1.463 2.197 1.141) 2.876 ======================= Grid point 48 (27/160) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.817 -5.389 -5.455) 7.711 1.797 ( 0.817 5.389 -5.455) 7.711 2.109 ( -1.489 -8.248 5.975) 10.294 2.109 ( -1.489 8.248 5.975) 10.294 2.451 ( -4.682 -2.337 0.736) 5.284 2.451 ( -4.682 2.337 0.736) 5.284 2.624 ( 2.254 -2.773 4.400) 5.668 2.624 ( 2.254 2.773 4.400) 5.668 2.886 ( 2.262 -6.922 -10.310) 12.623 2.886 ( 2.262 6.922 -10.310) 12.623 3.307 ( -0.664 -2.009 -5.138) 5.557 3.307 ( -0.664 2.009 -5.138) 5.557 3.441 ( -6.081 -3.084 11.584) 13.442 3.441 ( -6.081 3.084 11.584) 13.442 3.863 ( -14.497 -10.661 6.165) 19.022 3.863 ( -14.497 10.661 6.165) 19.022 4.170 ( -4.538 -14.611 -0.194) 15.301 4.170 ( -4.538 14.611 -0.194) 15.301 4.453 ( 2.881 -8.183 5.572) 10.311 4.453 ( 2.881 8.183 5.572) 10.311 4.873 ( -2.746 -8.135 -0.001) 8.586 4.873 ( -2.746 8.135 -0.001) 8.586 5.035 ( 3.168 -5.394 0.839) 6.312 5.035 ( 3.168 5.394 0.839) 6.312 5.484 ( 3.221 -4.374 -2.575) 6.012 5.484 ( 3.221 4.374 -2.575) 6.012 5.743 ( -7.272 -3.520 -3.376) 8.756 5.743 ( -7.272 3.520 -3.376) 8.756 6.775 ( 11.854 -8.609 1.593) 14.737 6.775 ( 11.854 8.609 1.593) 14.737 7.217 ( 4.229 -1.414 0.767) 4.525 7.217 ( 4.229 1.414 0.767) 4.525 7.491 ( 0.671 -3.653 -3.167) 4.881 7.491 ( 0.671 3.653 -3.167) 4.881 8.220 ( 0.766 -6.240 4.932) 7.991 8.220 ( 0.766 6.240 4.932) 7.991 9.173 ( -0.434 -7.879 0.954) 7.949 9.173 ( -0.434 7.879 0.954) 7.949 9.325 ( -8.356 -6.247 -2.300) 10.684 9.325 ( -8.356 6.247 -2.300) 10.684 9.894 ( 0.927 -6.416 -3.196) 7.228 9.894 ( 0.927 6.416 -3.196) 7.228 9.997 ( -6.638 -7.078 0.310) 9.709 9.997 ( -6.638 7.078 0.310) 9.709 11.368 ( 9.495 -3.095 2.211) 10.228 11.368 ( 9.495 3.095 2.211) 10.228 11.788 ( 3.783 -0.763 -1.592) 4.175 11.788 ( 3.783 0.763 -1.592) 4.175 14.594 ( 3.447 -2.981 -9.113) 10.189 14.594 ( 3.447 2.981 -9.113) 10.189 14.748 ( 8.826 -5.876 -0.219) 10.606 14.748 ( 8.826 5.876 -0.219) 10.606 15.373 ( 1.073 -4.999 5.499) 7.509 15.373 ( 1.073 4.999 5.499) 7.509 15.851 ( -12.165 -7.437 2.521) 14.479 15.851 ( -12.165 7.437 2.521) 14.479 18.471 ( 3.029 -2.307 -2.993) 4.844 18.471 ( 3.029 2.307 -2.993) 4.844 18.922 ( -1.410 -2.037 1.781) 3.051 18.922 ( -1.410 2.037 1.781) 3.051 ======================= Grid point 50 (28/160) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 4.798 -3.351 -0.411) 5.867 1.819 ( 4.798 3.351 -0.411) 5.867 2.164 ( 0.258 -2.737 6.523) 7.079 2.164 ( 0.258 2.736 6.523) 7.079 2.398 ( -1.551 -2.520 -0.784) 3.062 2.398 ( -1.551 2.520 -0.784) 3.062 2.672 ( 1.247 -3.408 -2.815) 4.593 2.672 ( 1.247 3.408 -2.815) 4.593 2.837 ( 1.039 -7.088 -2.850) 7.710 2.837 ( 1.039 7.088 -2.850) 7.710 3.129 ( -9.398 -1.456 -3.713) 10.209 3.129 ( -9.398 1.456 -3.713) 10.209 3.425 ( -8.886 -2.849 3.398) 9.931 3.425 ( -8.886 2.849 3.398) 9.931 3.685 ( -13.515 -7.675 4.938) 16.308 3.685 ( -13.515 7.675 4.938) 16.308 4.093 ( -1.250 -6.416 -2.149) 6.881 4.093 ( -1.250 6.416 -2.149) 6.881 4.559 ( 0.464 -8.263 6.146) 10.308 4.559 ( 0.464 8.263 6.146) 10.308 4.857 ( -1.586 -11.312 -0.882) 11.457 4.857 ( -1.586 11.312 -0.882) 11.457 5.121 ( 2.520 -8.430 4.976) 10.108 5.121 ( 2.520 8.430 4.976) 10.108 5.487 ( 3.390 -3.759 -4.069) 6.495 5.487 ( 3.390 3.759 -4.069) 6.495 5.658 ( -0.875 -3.793 0.302) 3.904 5.658 ( -0.875 3.793 0.302) 3.904 6.917 ( 4.201 -4.181 0.789) 5.979 6.917 ( 4.201 4.181 0.789) 5.979 7.349 ( 8.291 -0.035 2.394) 8.629 7.349 ( 8.291 0.035 2.394) 8.629 7.466 ( 0.448 -3.408 -2.517) 4.261 7.466 ( 0.448 3.408 -2.517) 4.261 8.274 ( -0.011 -5.441 2.370) 5.934 8.274 ( -0.011 5.441 2.370) 5.934 9.099 ( -6.734 -5.259 -2.382) 8.870 9.099 ( -6.734 5.259 -2.382) 8.870 9.224 ( -1.461 -3.826 -0.720) 4.158 9.224 ( -1.461 3.826 -0.720) 4.158 9.869 ( -1.785 -3.857 -0.073) 4.251 9.869 ( -1.785 3.857 -0.073) 4.251 9.922 ( -2.095 -4.243 0.186) 4.736 9.922 ( -2.095 4.243 0.186) 4.736 11.529 ( 7.005 -2.587 0.917) 7.524 11.529 ( 7.005 2.587 0.917) 7.524 11.829 ( 3.666 -0.935 -2.059) 4.307 11.829 ( 3.666 0.935 -2.059) 4.307 14.538 ( 2.542 -0.872 -6.424) 6.964 14.538 ( 2.542 0.872 -6.424) 6.964 14.938 ( 9.845 -4.427 1.343) 10.878 14.938 ( 9.845 4.427 1.343) 10.878 15.388 ( -2.871 -7.246 0.403) 7.805 15.388 ( -2.871 7.246 0.403) 7.805 15.726 ( -6.245 -9.305 3.679) 11.794 15.726 ( -6.245 9.305 3.679) 11.794 18.466 ( -0.026 -3.509 -2.061) 4.069 18.466 ( -0.026 3.509 -2.061) 4.069 18.929 ( 0.041 -1.265 1.360) 1.858 18.929 ( 0.041 1.265 1.360) 1.858 ======================= Grid point 52 (29/160) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 3.807 -8.266 1.940) 9.305 1.905 ( 3.807 8.266 1.940) 9.305 2.260 ( -1.897 -4.245 5.267) 7.026 2.260 ( -1.897 4.245 5.267) 7.026 2.384 ( 5.156 -3.037 -1.625) 6.201 2.384 ( 5.156 3.037 -1.625) 6.201 2.652 ( 5.472 -7.976 -7.744) 12.390 2.652 ( 5.472 7.976 -7.744) 12.390 2.788 ( -5.994 -10.503 0.536) 12.105 2.788 ( -5.994 10.503 0.536) 12.105 2.992 ( -5.979 -6.421 1.353) 8.878 2.992 ( -5.979 6.421 1.353) 8.878 3.274 ( -8.658 -0.541 1.567) 8.816 3.274 ( -8.658 0.541 1.567) 8.816 3.532 ( -8.126 -3.400 0.045) 8.808 3.532 ( -8.126 3.400 0.045) 8.808 4.073 ( 0.149 -2.229 -0.723) 2.348 4.073 ( 0.149 2.229 -0.723) 2.348 4.614 ( -2.393 -7.620 6.157) 10.085 4.614 ( -2.393 7.620 6.157) 10.085 4.788 ( -0.471 -8.422 -5.373) 10.001 4.788 ( -0.471 8.422 -5.373) 10.001 5.177 ( 0.025 -5.769 0.726) 5.815 5.177 ( 0.025 5.769 0.726) 5.815 5.556 ( 4.270 -3.139 2.340) 5.794 5.556 ( 4.270 3.139 2.340) 5.794 5.674 ( 1.179 -2.937 0.999) 3.318 5.674 ( 1.179 2.937 0.999) 3.318 6.970 ( 1.461 -2.834 0.783) 3.284 6.970 ( 1.461 2.834 0.783) 3.284 7.439 ( 0.171 -6.053 -1.509) 6.241 7.439 ( 0.171 6.053 -1.509) 6.241 7.513 ( 5.775 -3.182 2.396) 7.015 7.513 ( 5.775 3.182 2.396) 7.015 8.269 ( -1.004 -4.467 -1.048) 4.697 8.269 ( -1.004 4.467 -1.048) 4.697 8.982 ( -3.931 -2.999 -0.973) 5.039 8.982 ( -3.931 2.999 -0.973) 5.039 9.195 ( -1.094 -3.436 -0.961) 3.732 9.195 ( -1.094 3.436 -0.961) 3.732 9.850 ( -0.852 -5.243 0.815) 5.374 9.850 ( -0.852 5.243 0.815) 5.374 9.910 ( -0.456 -5.510 0.462) 5.548 9.910 ( -0.456 5.510 0.462) 5.548 11.618 ( 3.153 -2.307 -0.139) 3.909 11.618 ( 3.153 2.307 -0.139) 3.909 11.863 ( 2.570 -0.685 -1.247) 2.937 11.863 ( 2.570 0.685 -1.247) 2.937 14.533 ( 2.647 -0.715 -2.708) 3.854 14.533 ( 2.647 0.715 -2.708) 3.854 15.039 ( -0.043 -2.487 0.957) 2.665 15.039 ( -0.043 2.487 0.957) 2.665 15.370 ( 2.780 -5.644 -0.841) 6.348 15.370 ( 2.780 5.644 -0.841) 6.348 15.697 ( -2.428 -5.477 2.089) 6.345 15.697 ( -2.428 5.477 2.089) 6.345 18.435 ( -1.348 -2.777 -0.743) 3.175 18.435 ( -1.348 2.777 -0.743) 3.175 18.948 ( 0.618 -0.455 0.550) 0.944 18.948 ( 0.618 0.455 0.550) 0.944 ======================= Grid point 54 (30/160) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 0.000 -4.452 0.000) 4.452 1.966 ( 0.000 4.452 0.000) 4.452 2.225 ( 0.000 -1.125 0.000) 1.125 2.225 ( 0.000 1.125 0.000) 1.125 2.483 ( -0.000 -2.219 -0.000) 2.219 2.483 ( 0.000 2.219 -0.000) 2.219 2.685 ( 0.000 -13.661 -0.000) 13.661 2.685 ( -0.000 13.661 0.000) 13.661 2.691 ( -0.000 -7.735 0.000) 7.735 2.691 ( 0.000 7.735 -0.000) 7.735 2.935 ( 0.000 -10.075 0.000) 10.075 2.935 ( 0.000 10.075 0.000) 10.075 3.222 ( 0.000 -2.713 0.000) 2.713 3.222 ( 0.000 2.713 0.000) 2.713 3.449 ( -0.000 -0.938 0.000) 0.938 3.449 ( 0.000 0.938 0.000) 0.938 4.070 ( 0.000 -0.470 0.000) 0.470 4.070 ( 0.000 0.470 0.000) 0.470 4.626 ( 0.000 -2.629 0.000) 2.629 4.626 ( 0.000 2.629 -0.000) 2.629 4.753 ( 0.000 -3.563 0.000) 3.563 4.753 ( 0.000 3.563 -0.000) 3.563 5.175 ( 0.000 -0.594 0.000) 0.594 5.175 ( 0.000 0.594 0.000) 0.594 5.608 ( 0.000 -2.896 0.000) 2.896 5.608 ( 0.000 2.896 0.000) 2.896 5.701 ( -0.000 -0.637 0.000) 0.637 5.701 ( 0.000 0.637 0.000) 0.637 6.987 ( 0.000 -1.100 0.000) 1.100 6.987 ( 0.000 1.100 0.000) 1.100 7.430 ( 0.000 -5.618 0.000) 5.618 7.430 ( 0.000 5.618 0.000) 5.618 7.581 ( 0.000 -2.896 0.000) 2.896 7.581 ( 0.000 2.896 0.000) 2.896 8.247 ( 0.000 -3.506 0.000) 3.506 8.247 ( 0.000 3.506 0.000) 3.506 8.945 ( 0.000 -1.342 0.000) 1.342 8.945 ( 0.000 1.342 0.000) 1.342 9.177 ( 0.000 -1.856 0.000) 1.856 9.177 ( 0.000 1.856 0.000) 1.856 9.850 ( 0.000 -3.214 0.000) 3.214 9.850 ( 0.000 3.214 0.000) 3.214 9.910 ( -0.000 -5.423 0.000) 5.423 9.910 ( 0.000 5.423 0.000) 5.423 11.642 ( 0.000 -2.671 0.000) 2.671 11.642 ( 0.000 2.671 0.000) 2.671 11.879 ( 0.000 -0.300 0.000) 0.300 11.879 ( 0.000 0.300 0.000) 0.300 14.543 ( 0.000 -0.840 0.000) 0.840 14.543 ( 0.000 0.840 0.000) 0.840 15.027 ( 0.000 -1.364 0.000) 1.364 15.027 ( 0.000 1.364 0.000) 1.364 15.407 ( 0.000 -4.995 0.000) 4.995 15.407 ( 0.000 4.995 0.000) 4.995 15.685 ( 0.000 -1.245 0.000) 1.245 15.685 ( 0.000 1.245 0.000) 1.245 18.417 ( 0.000 -1.030 0.000) 1.030 18.417 ( 0.000 1.030 0.000) 1.030 18.957 ( 0.000 -0.089 0.000) 0.089 18.957 ( 0.000 0.089 0.000) 0.089 ======================= Grid point 99 (31/160) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -5.645 0.000 28.328) 28.885 0.587 ( 2.707 0.000 29.278) 29.403 1.080 ( 1.667 0.000 53.353) 53.379 2.033 ( -2.439 0.000 -3.385) 4.172 2.356 ( 0.051 0.000 -12.201) 12.201 2.494 ( -1.556 0.000 -8.763) 8.900 2.833 ( -2.165 0.000 0.446) 2.210 2.947 ( -1.626 0.000 -13.592) 13.689 3.084 ( 2.909 0.000 7.451) 7.999 3.109 ( 4.871 0.000 4.840) 6.866 3.297 ( 0.452 0.000 3.248) 3.280 3.469 ( 0.031 0.000 13.636) 13.636 3.550 ( 0.956 0.000 5.207) 5.294 3.651 ( 3.735 0.000 1.877) 4.180 3.790 ( 16.960 0.000 7.816) 18.674 3.978 ( -9.004 0.000 3.809) 9.776 4.033 ( 6.807 0.000 -11.419) 13.293 4.202 ( -3.233 0.000 -0.964) 3.374 4.244 ( -4.206 0.000 -9.170) 10.088 4.627 ( -4.327 0.000 -0.296) 4.337 4.864 ( 0.246 0.000 -9.562) 9.566 5.083 ( 7.038 0.000 1.660) 7.232 5.299 ( 18.289 0.000 -8.716) 20.259 5.355 ( -0.778 0.000 8.777) 8.811 5.509 ( -18.611 0.000 2.405) 18.765 5.806 ( -3.534 0.000 -3.970) 5.315 5.859 ( -12.481 0.000 -6.934) 14.277 6.073 ( -8.723 0.000 -5.280) 10.197 6.239 ( -0.831 0.000 11.533) 11.563 6.503 ( 11.720 0.000 1.289) 11.791 6.634 ( -1.327 0.000 -2.630) 2.946 6.914 ( 5.981 0.000 -3.480) 6.920 7.608 ( -0.256 0.000 -0.215) 0.334 7.675 ( 0.419 0.000 -2.804) 2.835 7.798 ( 1.791 0.000 6.119) 6.376 8.396 ( -0.937 0.000 5.845) 5.919 8.425 ( 1.213 0.000 -3.858) 4.044 9.128 ( 0.384 0.000 -0.001) 0.384 9.365 ( -4.922 0.000 -2.839) 5.682 9.510 ( 1.241 0.000 -2.543) 2.830 9.953 ( 0.283 0.000 6.252) 6.258 10.105 ( 0.718 0.000 -1.227) 1.422 10.493 ( -1.397 0.000 -2.387) 2.765 10.608 ( 2.889 0.000 -3.454) 4.503 10.681 ( -4.658 0.000 10.405) 11.400 11.062 ( -3.413 0.000 6.258) 7.128 11.606 ( 0.771 0.000 -7.203) 7.244 11.705 ( -0.357 0.000 -3.035) 3.056 14.722 ( -5.551 0.000 -5.378) 7.729 14.886 ( 11.871 0.000 -10.026) 15.538 15.121 ( 5.656 0.000 0.277) 5.663 15.145 ( -11.522 0.000 1.959) 11.687 15.477 ( -4.132 0.000 1.711) 4.473 15.490 ( 9.235 0.000 0.286) 9.239 15.577 ( 3.460 0.000 1.250) 3.679 15.685 ( -4.320 0.000 1.360) 4.529 17.988 ( -1.459 0.000 2.151) 2.599 18.172 ( -0.501 0.000 -0.206) 0.542 19.001 ( -0.186 0.000 1.906) 1.915 19.038 ( 0.782 0.000 1.134) 1.378 ======================= Grid point 100 (32/160) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 12.737 0.000 22.823) 26.137 1.079 ( 14.743 0.000 24.437) 28.540 1.853 ( 18.699 0.000 38.932) 43.190 1.903 ( -2.716 0.000 -10.665) 11.006 2.178 ( 0.145 0.000 -13.376) 13.377 2.442 ( 2.179 0.000 -2.297) 3.166 2.772 ( -0.115 0.000 -11.841) 11.842 2.822 ( -1.874 0.000 4.023) 4.438 2.994 ( -12.962 0.000 -5.324) 14.012 3.226 ( 2.740 0.000 7.152) 7.659 3.436 ( -4.286 0.000 12.868) 13.563 3.499 ( -7.421 0.000 8.198) 11.058 3.637 ( 1.681 0.000 8.501) 8.665 3.715 ( 3.445 0.000 -0.812) 3.540 3.784 ( -12.072 0.000 -5.995) 13.479 3.924 ( -9.568 0.000 11.530) 14.983 3.962 ( -2.860 0.000 -8.003) 8.499 4.124 ( 6.771 0.000 -11.778) 13.586 4.272 ( 5.413 0.000 4.004) 6.733 4.479 ( -4.314 0.000 -2.539) 5.006 4.751 ( -0.413 0.000 -9.818) 9.827 5.113 ( -15.108 0.000 -4.234) 15.690 5.365 ( 11.936 0.000 6.004) 13.361 5.484 ( 6.275 0.000 9.704) 11.557 5.538 ( -4.078 0.000 -16.063) 16.573 5.586 ( 4.622 0.000 0.041) 4.622 5.740 ( -0.928 0.000 -1.067) 1.414 5.944 ( -1.728 0.000 -2.086) 2.708 6.297 ( -6.230 0.000 6.116) 8.730 6.548 ( -3.724 0.000 -1.720) 4.102 6.607 ( -1.311 0.000 1.028) 1.666 6.951 ( 7.650 0.000 -4.562) 8.907 7.589 ( -1.512 0.000 -0.679) 1.658 7.653 ( 1.027 0.000 -2.800) 2.982 7.939 ( 3.690 0.000 9.393) 10.091 8.334 ( -2.703 0.000 -8.540) 8.958 8.510 ( 4.457 0.000 8.356) 9.470 9.078 ( -4.349 0.000 -2.647) 5.091 9.276 ( -2.713 0.000 4.931) 5.629 9.499 ( 1.198 0.000 -2.203) 2.507 10.021 ( -6.163 0.000 0.213) 6.166 10.029 ( -2.144 0.000 8.757) 9.016 10.344 ( -10.152 0.000 -5.108) 11.365 10.522 ( -5.384 0.000 -2.574) 5.968 10.906 ( 12.040 0.000 8.892) 14.967 11.352 ( 17.954 0.000 0.862) 17.975 11.552 ( 3.806 0.000 -8.975) 9.749 11.706 ( 6.076 0.000 -4.847) 7.773 14.515 ( -8.009 0.000 -9.271) 12.251 14.836 ( -20.572 0.000 2.105) 20.679 14.904 ( -2.123 0.000 -5.977) 6.342 15.075 ( -14.609 0.000 0.575) 14.620 15.453 ( -4.931 0.000 0.144) 4.933 15.458 ( 5.728 0.000 2.803) 6.377 15.735 ( 7.216 0.000 4.132) 8.316 15.765 ( 9.685 0.000 1.360) 9.780 18.105 ( 7.774 0.000 -0.692) 7.805 18.180 ( 2.322 0.000 -1.450) 2.737 19.008 ( -1.831 0.000 1.906) 2.643 19.050 ( -1.336 0.000 1.439) 1.964 ======================= Grid point 101 (33/160) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 14.569 0.000 17.442) 22.726 1.594 ( 15.176 0.000 18.200) 23.697 1.759 ( -0.589 0.000 -6.213) 6.241 1.984 ( 2.817 0.000 -16.481) 16.720 2.373 ( -7.745 0.000 -6.513) 10.120 2.485 ( 9.401 0.000 6.572) 11.470 2.757 ( 5.697 0.000 3.279) 6.573 2.769 ( -5.208 0.000 -0.013) 5.208 2.887 ( 3.635 0.000 11.991) 12.529 3.269 ( -19.410 0.000 3.951) 19.808 3.302 ( -11.247 0.000 -2.436) 11.508 3.353 ( -13.708 0.000 -1.545) 13.795 3.501 ( -4.653 0.000 -2.422) 5.245 3.750 ( 6.018 0.000 -6.573) 8.912 3.852 ( 8.698 0.000 13.049) 15.682 3.852 ( -1.366 0.000 -2.589) 2.927 3.952 ( -1.520 0.000 7.220) 7.379 4.102 ( 5.094 0.000 -7.410) 8.992 4.374 ( 2.473 0.000 0.494) 2.522 4.534 ( 5.637 0.000 6.460) 8.573 4.542 ( -10.130 0.000 -8.668) 13.333 4.909 ( -4.556 0.000 -5.719) 7.312 5.196 ( -11.947 0.000 -10.525) 15.922 5.517 ( 0.524 0.000 7.937) 7.955 5.689 ( 4.470 0.000 -2.752) 5.249 5.715 ( -1.067 0.000 1.154) 1.572 5.785 ( 8.734 0.000 6.281) 10.758 5.910 ( -0.744 0.000 -1.434) 1.616 6.151 ( -12.609 0.000 -0.182) 12.610 6.554 ( -3.789 0.000 -0.641) 3.842 6.558 ( 4.421 0.000 3.934) 5.918 7.028 ( 7.840 0.000 -5.972) 9.855 7.536 ( -3.482 0.000 -1.412) 3.758 7.644 ( 1.619 0.000 -3.228) 3.611 8.123 ( 4.798 0.000 9.356) 10.514 8.184 ( -2.102 0.000 -8.401) 8.660 8.724 ( 7.773 0.000 9.274) 12.101 8.991 ( -1.825 0.000 -1.976) 2.690 9.319 ( 0.397 0.000 4.243) 4.262 9.522 ( 3.924 0.000 -0.267) 3.933 9.915 ( -6.532 0.000 -0.769) 6.577 10.009 ( -12.812 0.000 -0.348) 12.817 10.136 ( -4.858 0.000 2.003) 5.255 10.393 ( -5.777 0.000 -2.895) 6.462 11.217 ( 12.337 0.000 7.795) 14.593 11.518 ( 4.918 0.000 -9.359) 10.573 11.612 ( 11.174 0.000 1.853) 11.327 11.784 ( 8.571 0.000 -3.768) 9.363 14.270 ( -7.733 0.000 -8.447) 11.452 14.531 ( -16.749 0.000 1.202) 16.792 14.741 ( -12.261 0.000 0.675) 12.280 14.751 ( -19.666 0.000 -2.361) 19.807 15.446 ( 5.493 0.000 -4.585) 7.156 15.654 ( 8.553 0.000 6.208) 10.569 15.878 ( 3.535 0.000 4.126) 5.434 15.912 ( 5.328 0.000 1.740) 5.605 18.210 ( 5.703 0.000 -0.231) 5.708 18.212 ( 4.320 0.000 -2.573) 5.028 18.981 ( -3.355 0.000 0.947) 3.486 19.025 ( -3.171 0.000 0.869) 3.288 ======================= Grid point 102 (34/160) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -0.832 0.000 0.119) 0.841 1.772 ( 4.803 0.000 0.538) 4.833 1.929 ( 8.934 0.000 -0.564) 8.952 1.962 ( 3.556 0.000 2.349) 4.262 2.212 ( 1.339 0.000 6.438) 6.575 2.567 ( 5.634 0.000 -2.618) 6.212 2.634 ( -16.608 0.000 -12.178) 20.595 2.763 ( -0.251 0.000 1.218) 1.244 2.910 ( -7.564 0.000 -1.872) 7.792 2.935 ( -19.897 0.000 -0.381) 19.901 3.111 ( -3.061 0.000 8.536) 9.068 3.316 ( -7.189 0.000 -9.043) 11.552 3.512 ( 10.900 0.000 7.679) 13.334 3.758 ( 4.667 0.000 -7.656) 8.966 3.878 ( 9.638 0.000 -4.964) 10.842 4.023 ( -0.312 0.000 7.263) 7.269 4.109 ( 5.106 0.000 -6.828) 8.526 4.201 ( 9.311 0.000 10.766) 14.234 4.324 ( -1.129 0.000 -0.915) 1.453 4.401 ( 0.694 0.000 -0.893) 1.131 4.704 ( 1.735 0.000 10.535) 10.677 4.760 ( -2.820 0.000 -9.223) 9.644 4.928 ( -9.435 0.000 -3.921) 10.217 5.519 ( -11.112 0.000 0.259) 11.115 5.626 ( -9.078 0.000 -2.333) 9.373 5.674 ( -2.483 0.000 2.613) 3.604 5.883 ( -1.617 0.000 2.029) 2.595 5.901 ( 2.040 0.000 -1.523) 2.546 6.018 ( -4.241 0.000 4.658) 6.299 6.485 ( -2.933 0.000 -1.093) 3.130 6.769 ( 10.467 0.000 7.347) 12.788 7.070 ( 5.871 0.000 -6.564) 8.807 7.442 ( -5.166 0.000 -1.558) 5.396 7.619 ( -0.119 0.000 -2.756) 2.759 8.095 ( 2.515 0.000 -7.166) 7.594 8.309 ( 5.971 0.000 6.668) 8.951 8.949 ( 6.989 0.000 6.888) 9.813 8.987 ( 3.174 0.000 -0.305) 3.189 9.374 ( 0.299 0.000 3.600) 3.612 9.629 ( 6.890 0.000 1.607) 7.075 9.711 ( -14.046 0.000 -6.815) 15.612 9.772 ( -7.820 0.000 -2.968) 8.365 10.125 ( -4.948 0.000 5.809) 7.631 10.275 ( -4.176 0.000 -2.403) 4.818 11.482 ( 9.300 0.000 5.876) 11.001 11.505 ( 5.508 0.000 -7.513) 9.316 11.771 ( 4.797 0.000 2.371) 5.351 11.885 ( 6.419 0.000 -1.310) 6.552 14.088 ( -5.355 0.000 -2.885) 6.082 14.314 ( -11.145 0.000 2.015) 11.326 14.418 ( -15.494 0.000 -2.357) 15.672 14.549 ( -12.226 0.000 2.561) 12.492 15.495 ( 6.305 0.000 -4.497) 7.744 15.834 ( 4.484 0.000 4.103) 6.078 15.940 ( 0.700 0.000 0.610) 0.928 15.987 ( 2.500 0.000 0.109) 2.502 18.274 ( 5.899 0.000 -1.109) 6.003 18.297 ( 4.256 0.000 0.912) 4.353 18.921 ( -3.896 0.000 -0.396) 3.917 18.967 ( -4.182 0.000 -0.012) 4.182 ======================= Grid point 103 (35/160) ======================= q-point: ( 0.40 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -6.974 0.000 5.804) 9.073 1.778 ( 2.421 0.000 -2.022) 3.154 1.981 ( 8.015 0.000 -4.140) 9.021 2.003 ( -7.669 0.000 -0.845) 7.716 2.363 ( 5.030 0.000 -4.125) 6.505 2.403 ( -0.560 0.000 5.346) 5.376 2.554 ( -15.096 0.000 1.100) 15.136 2.657 ( 5.062 0.000 0.549) 5.092 2.814 ( -1.770 0.000 -3.884) 4.269 2.888 ( 5.947 0.000 2.419) 6.420 3.053 ( -8.616 0.000 1.359) 8.723 3.103 ( -5.010 0.000 -6.973) 8.587 3.694 ( 5.852 0.000 -1.176) 5.969 3.740 ( 3.868 0.000 -7.379) 8.331 3.990 ( 3.488 0.000 -0.537) 3.529 4.092 ( -0.980 0.000 6.008) 6.088 4.161 ( 16.138 0.000 -10.356) 19.175 4.244 ( 2.066 0.000 0.399) 2.104 4.368 ( -0.826 0.000 -4.208) 4.288 4.556 ( 0.674 0.000 3.954) 4.011 4.626 ( 2.849 0.000 -8.916) 9.360 4.824 ( -1.450 0.000 9.542) 9.652 4.867 ( 1.499 0.000 10.985) 11.087 5.249 ( -15.330 0.000 -1.146) 15.373 5.370 ( -14.591 0.000 -3.314) 14.963 5.668 ( -1.280 0.000 -0.118) 1.285 5.875 ( -0.906 0.000 -0.619) 1.097 5.921 ( 1.771 0.000 -1.410) 2.263 6.035 ( -3.436 0.000 8.370) 9.048 6.441 ( -1.272 0.000 0.202) 1.288 6.985 ( 4.349 0.000 4.159) 6.018 7.074 ( 4.502 0.000 -7.415) 8.675 7.356 ( -3.726 0.000 2.054) 4.255 7.603 ( 0.209 0.000 0.934) 0.957 8.087 ( 5.229 0.000 -6.124) 8.052 8.453 ( 3.794 0.000 1.581) 4.110 9.083 ( 6.222 0.000 1.923) 6.512 9.113 ( 5.525 0.000 2.685) 6.143 9.392 ( -3.859 0.000 3.044) 4.915 9.426 ( -10.124 0.000 -4.419) 11.047 9.608 ( -4.401 0.000 -5.191) 6.806 9.739 ( 4.654 0.000 -1.392) 4.857 10.092 ( -5.674 0.000 4.068) 6.982 10.205 ( -1.319 0.000 -1.482) 1.984 11.537 ( 5.658 0.000 -2.901) 6.358 11.659 ( 4.664 0.000 4.099) 6.209 11.829 ( -0.377 0.000 1.391) 1.441 11.955 ( 2.724 0.000 -0.163) 2.729 14.032 ( -2.938 0.000 4.799) 5.627 14.199 ( -6.213 0.000 2.917) 6.863 14.208 ( -7.078 0.000 0.219) 7.081 14.407 ( -7.973 0.000 2.969) 8.508 15.547 ( 4.797 0.000 -2.888) 5.599 15.844 ( -1.832 0.000 -5.683) 5.971 15.968 ( 2.615 0.000 -0.241) 2.626 16.003 ( 0.988 0.000 -2.221) 2.431 18.371 ( 2.249 0.000 2.127) 3.095 18.376 ( 4.760 0.000 2.187) 5.238 18.853 ( -2.470 0.000 -1.393) 2.836 18.894 ( -3.467 0.000 -0.900) 3.582 ======================= Grid point 104 (36/160) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -1.068 0.000 10.374) 10.429 1.790 ( -2.014 0.000 0.861) 2.190 1.942 ( 5.259 0.000 0.633) 5.297 2.072 ( 3.191 0.000 -2.459) 4.028 2.277 ( -6.477 0.000 -3.457) 7.342 2.432 ( -3.772 0.000 -0.322) 3.786 2.499 ( 7.623 0.000 2.942) 8.171 2.657 ( 0.111 0.000 -4.686) 4.687 2.822 ( 2.534 0.000 -3.443) 4.275 2.904 ( -3.792 0.000 -3.720) 5.312 2.913 ( -3.180 0.000 -0.730) 3.263 3.137 ( 9.144 0.000 1.766) 9.313 3.729 ( 3.839 0.000 -4.608) 5.998 3.755 ( 3.430 0.000 -0.684) 3.497 3.985 ( -0.515 0.000 -1.512) 1.597 4.055 ( -15.118 0.000 1.839) 15.229 4.224 ( 2.529 0.000 -2.771) 3.751 4.296 ( -0.988 0.000 -4.097) 4.215 4.349 ( 10.355 0.000 -3.342) 10.881 4.451 ( -6.021 0.000 -10.487) 12.093 4.711 ( 6.919 0.000 6.131) 9.245 4.900 ( -10.863 0.000 4.156) 11.630 4.924 ( 6.815 0.000 4.647) 8.249 5.055 ( -8.336 0.000 2.069) 8.589 5.330 ( 9.961 0.000 5.338) 11.301 5.616 ( -1.715 0.000 -5.590) 5.847 5.828 ( -1.312 0.000 -1.990) 2.384 5.918 ( -0.066 0.000 -1.339) 1.340 6.094 ( -3.865 0.000 11.419) 12.055 6.460 ( 1.490 0.000 3.118) 3.455 6.964 ( -5.884 0.000 -3.382) 6.786 7.060 ( 4.325 0.000 -7.303) 8.487 7.398 ( 0.577 0.000 7.241) 7.264 7.656 ( 1.993 0.000 4.589) 5.003 8.119 ( 5.797 0.000 -4.529) 7.356 8.417 ( -4.828 0.000 -6.787) 8.329 9.125 ( -4.390 0.000 -1.852) 4.765 9.163 ( -4.997 0.000 3.337) 6.009 9.325 ( -1.584 0.000 -0.042) 1.585 9.392 ( 6.748 0.000 3.321) 7.521 9.560 ( 4.933 0.000 -4.034) 6.372 9.731 ( -0.596 0.000 -5.867) 5.897 10.038 ( -4.260 0.000 1.891) 4.661 10.199 ( 1.942 0.000 -0.414) 1.985 11.622 ( 4.352 0.000 2.273) 4.910 11.709 ( -4.501 0.000 1.977) 4.916 11.822 ( -0.183 0.000 0.768) 0.789 11.975 ( 0.178 0.000 -0.371) 0.412 14.071 ( 0.542 0.000 4.814) 4.844 14.162 ( -1.676 0.000 1.719) 2.401 14.215 ( 0.695 0.000 10.089) 10.113 14.365 ( -2.384 0.000 5.243) 5.760 15.581 ( 3.178 0.000 -3.257) 4.551 15.704 ( -0.021 0.000 -14.140) 14.140 15.975 ( -0.113 0.000 -3.631) 3.633 15.989 ( 0.045 0.000 -0.268) 0.272 18.415 ( -0.913 0.000 3.274) 3.399 18.454 ( -0.554 0.000 3.772) 3.813 18.820 ( 0.880 0.000 -1.662) 1.881 18.847 ( 0.236 0.000 -1.688) 1.704 ======================= Grid point 105 (37/160) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -8.889 0.000 -6.930) 11.272 1.827 ( -0.519 0.000 10.195) 10.208 1.959 ( -13.261 0.000 -5.548) 14.375 2.110 ( 6.547 0.000 7.791) 10.176 2.156 ( 3.938 0.000 1.992) 4.414 2.530 ( 12.818 0.000 -2.078) 12.985 2.596 ( 5.676 0.000 -13.205) 14.374 2.701 ( 6.274 0.000 3.653) 7.260 2.788 ( -3.126 0.000 -4.641) 5.596 2.798 ( 6.746 0.000 3.100) 7.425 2.954 ( -0.518 0.000 2.080) 2.143 3.211 ( 5.527 0.000 -12.905) 14.039 3.632 ( -23.434 0.000 -4.097) 23.789 3.785 ( 1.914 0.000 4.182) 4.599 3.801 ( -1.679 0.000 -5.813) 6.051 3.974 ( -0.049 0.000 2.047) 2.047 4.121 ( -14.525 0.000 -7.398) 16.300 4.259 ( 1.040 0.000 -1.307) 1.670 4.313 ( 7.158 0.000 2.527) 7.591 4.391 ( -0.775 0.000 0.061) 0.778 4.799 ( 0.345 0.000 0.540) 0.641 4.935 ( -10.970 0.000 4.839) 11.989 5.003 ( 9.301 0.000 10.783) 14.240 5.219 ( 19.360 0.000 -0.346) 19.363 5.483 ( -0.102 0.000 -10.369) 10.370 5.547 ( 10.600 0.000 -1.674) 10.732 5.832 ( 2.038 0.000 1.753) 2.688 5.905 ( -0.200 0.000 0.690) 0.718 6.143 ( -7.101 0.000 11.211) 13.270 6.551 ( 1.769 0.000 6.359) 6.600 6.769 ( -9.786 0.000 -5.612) 11.281 7.055 ( 4.584 0.000 -6.267) 7.764 7.490 ( 0.843 0.000 5.645) 5.707 7.758 ( 2.106 0.000 5.567) 5.953 8.178 ( 5.908 0.000 -1.789) 6.173 8.187 ( -7.973 0.000 -10.833) 13.450 8.998 ( -10.152 0.000 0.534) 10.166 9.023 ( -10.072 0.000 0.311) 10.077 9.329 ( -1.050 0.000 0.451) 1.142 9.593 ( 11.572 0.000 1.060) 11.620 9.610 ( -2.907 0.000 -6.862) 7.453 9.656 ( 9.759 0.000 -2.561) 10.090 10.014 ( -0.309 0.000 1.335) 1.371 10.258 ( 4.722 0.000 0.586) 4.758 11.568 ( -11.484 0.000 -1.258) 11.553 11.716 ( 1.220 0.000 5.012) 5.159 11.837 ( -1.238 0.000 2.551) 2.836 11.960 ( -1.035 0.000 -0.584) 1.188 14.188 ( 7.744 0.000 3.690) 8.579 14.188 ( 3.936 0.000 0.144) 3.939 14.417 ( 3.310 0.000 16.817) 17.140 14.449 ( 2.499 0.000 8.556) 8.914 15.530 ( 1.664 0.000 -17.678) 17.756 15.564 ( 2.171 0.000 -8.003) 8.292 15.922 ( -1.764 0.000 -2.612) 3.152 15.964 ( -2.330 0.000 -0.609) 2.408 18.420 ( -3.527 0.000 4.358) 5.606 18.440 ( -5.282 0.000 3.165) 6.157 18.842 ( 3.445 0.000 -1.370) 3.707 18.863 ( 3.843 0.000 -2.136) 4.397 ======================= Grid point 106 (38/160) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -18.519 0.000 -10.658) 21.367 1.511 ( -22.139 0.000 -9.333) 24.026 1.995 ( 0.960 0.000 11.928) 11.967 2.291 ( 3.304 0.000 5.652) 6.547 2.405 ( 15.370 0.000 5.895) 16.461 2.438 ( -11.922 0.000 -13.010) 17.646 2.642 ( 0.861 0.000 -3.090) 3.207 2.712 ( -14.821 0.000 -4.185) 15.400 2.788 ( 13.753 0.000 -6.666) 15.283 2.835 ( 4.533 0.000 1.215) 4.693 3.081 ( 3.393 0.000 -16.699) 17.040 3.114 ( 13.925 0.000 2.342) 14.121 3.340 ( -2.925 0.000 2.978) 4.174 3.587 ( -8.145 0.000 -13.429) 15.706 3.787 ( -3.744 0.000 -1.534) 4.046 3.947 ( -4.465 0.000 3.463) 5.651 4.050 ( 0.657 0.000 6.543) 6.576 4.310 ( 2.953 0.000 3.578) 4.639 4.379 ( -0.912 0.000 0.946) 1.314 4.531 ( 13.582 0.000 3.327) 13.983 4.776 ( -10.880 0.000 0.736) 10.905 4.819 ( 0.769 0.000 1.588) 1.764 5.256 ( -1.780 0.000 -8.572) 8.755 5.302 ( 10.444 0.000 10.553) 14.847 5.625 ( 14.038 0.000 1.375) 14.106 5.636 ( 8.643 0.000 -9.747) 13.027 5.927 ( 6.528 0.000 1.375) 6.671 5.945 ( 1.567 0.000 3.676) 3.996 6.073 ( -14.718 0.000 7.024) 16.308 6.565 ( -5.936 0.000 -3.133) 6.712 6.629 ( -1.777 0.000 5.898) 6.160 7.061 ( 3.383 0.000 -5.135) 6.150 7.553 ( 0.796 0.000 2.966) 3.071 7.811 ( -1.913 0.000 2.115) 2.852 7.948 ( -5.827 0.000 -9.035) 10.751 8.295 ( 7.521 0.000 2.999) 8.097 8.787 ( -14.563 0.000 -0.121) 14.563 8.888 ( -4.842 0.000 -1.074) 4.960 9.299 ( -3.232 0.000 1.110) 3.418 9.514 ( -0.336 0.000 -3.621) 3.637 9.762 ( 8.424 0.000 -2.954) 8.927 9.789 ( 9.262 0.000 -2.723) 9.654 10.084 ( 5.968 0.000 3.410) 6.873 10.362 ( 6.048 0.000 1.033) 6.136 11.316 ( -15.149 0.000 -2.700) 15.388 11.766 ( -2.019 0.000 4.326) 4.774 11.836 ( -3.761 0.000 5.068) 6.311 11.928 ( -2.444 0.000 -0.157) 2.449 14.305 ( 9.641 0.000 0.204) 9.643 14.409 ( 12.571 0.000 4.127) 13.231 14.641 ( 6.298 0.000 11.536) 13.143 14.678 ( 4.057 0.000 15.186) 15.719 15.367 ( 3.060 0.000 -15.585) 15.883 15.457 ( 1.588 0.000 -15.992) 16.071 15.851 ( -4.554 0.000 -0.728) 4.612 15.896 ( -4.582 0.000 -1.074) 4.707 18.370 ( -6.326 0.000 2.022) 6.641 18.409 ( -4.302 0.000 5.378) 6.887 18.891 ( 3.641 0.000 -0.875) 3.745 18.909 ( 4.488 0.000 -2.377) 5.079 ======================= Grid point 107 (39/160) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -23.678 0.000 -6.844) 24.647 1.002 ( -27.106 0.000 -5.571) 27.673 1.752 ( -47.240 0.000 -2.840) 47.326 2.135 ( -0.852 0.000 7.330) 7.379 2.292 ( -1.235 0.000 -7.367) 7.470 2.561 ( 0.010 0.000 2.749) 2.750 2.669 ( 4.853 0.000 3.049) 5.732 2.764 ( 15.707 0.000 -8.052) 17.651 2.933 ( 12.299 0.000 0.000) 12.299 2.947 ( 5.414 0.000 0.391) 5.428 3.089 ( 13.731 0.000 -6.368) 15.136 3.149 ( -2.014 0.000 -7.420) 7.689 3.360 ( -0.285 0.000 -10.084) 10.088 3.461 ( 3.392 0.000 3.748) 5.055 3.663 ( -6.926 0.000 -2.453) 7.347 4.005 ( 4.515 0.000 5.024) 6.754 4.096 ( 1.553 0.000 -1.716) 2.315 4.351 ( -4.101 0.000 0.813) 4.181 4.406 ( 2.510 0.000 3.546) 4.345 4.636 ( -7.822 0.000 2.437) 8.193 4.706 ( 6.028 0.000 -5.608) 8.233 4.993 ( 9.995 0.000 16.983) 19.706 5.150 ( 0.422 0.000 -6.198) 6.213 5.572 ( 8.510 0.000 6.442) 10.673 5.632 ( 6.945 0.000 -12.364) 14.181 5.668 ( -13.371 0.000 -1.581) 13.464 5.953 ( -5.841 0.000 12.830) 14.096 6.018 ( 5.130 0.000 -5.978) 7.877 6.028 ( 3.277 0.000 3.256) 4.620 6.538 ( 3.336 0.000 1.160) 3.532 6.633 ( -4.103 0.000 4.552) 6.128 7.002 ( -2.769 0.000 -8.515) 8.954 7.589 ( 0.726 0.000 1.063) 1.287 7.764 ( -3.091 0.000 -1.009) 3.252 7.795 ( -3.058 0.000 -4.315) 5.289 8.465 ( 7.046 0.000 1.623) 7.231 8.551 ( -12.500 0.000 0.593) 12.514 8.852 ( 0.387 0.000 3.146) 3.169 9.252 ( -4.573 0.000 2.075) 5.021 9.500 ( 1.703 0.000 -1.762) 2.450 9.828 ( 4.027 0.000 -1.731) 4.383 9.907 ( 9.098 0.000 -2.960) 9.568 10.269 ( 10.280 0.000 2.570) 10.597 10.466 ( 5.038 0.000 0.167) 5.041 11.020 ( -16.085 0.000 -1.761) 16.182 11.751 ( -3.222 0.000 0.999) 3.373 11.844 ( -3.356 0.000 6.860) 7.637 11.868 ( -4.820 0.000 0.132) 4.822 14.512 ( 13.287 0.000 2.194) 13.467 14.681 ( 11.797 0.000 5.565) 13.044 14.853 ( 3.496 0.000 2.833) 4.500 14.922 ( 7.736 0.000 15.845) 17.633 15.235 ( 0.014 0.000 -24.762) 24.762 15.310 ( 5.966 0.000 -6.251) 8.641 15.742 ( -7.996 0.000 -0.098) 7.997 15.789 ( -6.655 0.000 -0.672) 6.688 18.283 ( -5.793 0.000 0.959) 5.872 18.404 ( -3.239 0.000 4.292) 5.377 18.938 ( 2.572 0.000 -0.080) 2.573 18.957 ( 3.939 0.000 -1.672) 4.280 ======================= Grid point 108 (40/160) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -20.910 0.000 18.231) 27.742 0.539 ( -26.364 0.000 10.414) 28.346 1.006 ( -47.910 0.000 22.641) 52.990 2.107 ( -5.509 0.000 1.177) 5.634 2.252 ( 4.216 0.000 9.373) 10.277 2.602 ( 1.178 0.000 -4.008) 4.178 2.797 ( 3.568 0.000 4.898) 6.060 2.900 ( 11.538 0.000 -0.109) 11.538 2.988 ( 0.905 0.000 0.510) 1.038 3.062 ( 3.801 0.000 -7.371) 8.293 3.205 ( 10.240 0.000 3.734) 10.899 3.266 ( 11.215 0.000 0.183) 11.217 3.285 ( 2.046 0.000 -0.363) 2.078 3.522 ( -0.614 0.000 5.441) 5.475 3.574 ( -1.229 0.000 2.617) 2.891 4.073 ( 2.723 0.000 -7.719) 8.186 4.100 ( 3.740 0.000 -6.846) 7.801 4.266 ( -3.461 0.000 -2.273) 4.140 4.472 ( -10.027 0.000 0.724) 10.053 4.541 ( 5.958 0.000 0.145) 5.960 4.759 ( 3.541 0.000 7.160) 7.988 5.123 ( -1.087 0.000 -1.875) 2.168 5.303 ( 4.501 0.000 -4.961) 6.699 5.377 ( -14.269 0.000 2.181) 14.434 5.606 ( 3.518 0.000 0.878) 3.626 5.829 ( 14.437 0.000 13.467) 19.743 5.931 ( -4.963 0.000 -3.433) 6.034 6.092 ( 1.939 0.000 -3.276) 3.807 6.095 ( 1.625 0.000 10.663) 10.786 6.626 ( 4.102 0.000 -0.134) 4.104 6.634 ( -8.934 0.000 2.759) 9.350 6.757 ( -0.679 0.000 -12.567) 12.585 7.606 ( 0.478 0.000 0.178) 0.510 7.711 ( -0.935 0.000 -2.398) 2.574 7.745 ( -0.637 0.000 1.122) 1.290 8.408 ( -6.719 0.000 3.072) 7.388 8.486 ( -0.889 0.000 -6.626) 6.685 9.031 ( 8.841 0.000 12.540) 15.343 9.212 ( -3.430 0.000 7.818) 8.537 9.511 ( 1.893 0.000 -2.091) 2.820 9.881 ( 2.080 0.000 2.391) 3.170 10.021 ( 8.607 0.000 -4.092) 9.530 10.446 ( 7.715 0.000 0.153) 7.716 10.531 ( 3.315 0.000 0.291) 3.328 10.775 ( -12.235 0.000 2.282) 12.446 11.688 ( -2.386 0.000 -3.475) 4.215 11.751 ( -13.541 0.000 -21.401) 25.325 11.776 ( -5.006 0.000 -0.760) 5.064 14.814 ( -2.664 0.000 1.707) 3.164 14.833 ( 18.341 0.000 6.045) 19.312 14.927 ( 2.594 0.000 -15.694) 15.907 14.974 ( 12.981 0.000 -2.901) 13.301 15.275 ( 5.187 0.000 26.233) 26.741 15.388 ( 6.611 0.000 -0.282) 6.617 15.589 ( -9.124 0.000 1.359) 9.224 15.665 ( -8.109 0.000 0.827) 8.152 18.208 ( -3.769 0.000 0.333) 3.784 18.327 ( -7.267 0.000 -12.532) 14.486 18.975 ( 1.208 0.000 0.994) 1.565 19.002 ( 2.677 0.000 -0.149) 2.681 ======================= Grid point 109 (41/160) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -4.943 21.550 17.773) 28.367 0.937 ( -2.703 21.908 20.918) 30.411 1.491 ( 4.361 37.218 34.398) 50.867 2.103 ( -2.624 5.695 -6.335) 8.914 2.297 ( 0.438 0.006 -5.678) 5.695 2.547 ( -0.889 0.030 -9.845) 9.885 2.785 ( -0.218 -2.601 2.852) 3.866 2.907 ( -0.475 -10.789 5.416) 12.082 2.950 ( 1.913 -0.799 -12.946) 13.111 3.078 ( 3.417 -3.079 3.928) 6.048 3.342 ( 4.659 -11.959 7.675) 14.954 3.413 ( -0.977 4.067 9.652) 10.520 3.445 ( 6.869 -3.474 8.089) 11.166 3.572 ( 0.706 -6.647 10.156) 12.158 3.675 ( -0.014 -5.063 6.257) 8.048 3.910 ( -1.189 -0.074 -4.830) 4.975 4.081 ( 2.425 1.081 -3.013) 4.015 4.134 ( 1.807 -6.907 -4.237) 8.302 4.421 ( -3.016 11.970 -7.337) 14.360 4.680 ( -6.513 3.621 -3.108) 8.074 4.832 ( -2.942 -1.251 -7.926) 8.547 4.949 ( 1.321 -10.181 3.451) 10.831 5.075 ( 0.159 -5.924 7.662) 9.687 5.418 ( 8.999 2.385 0.563) 9.326 5.544 ( -2.316 -4.155 5.096) 6.971 5.696 ( -4.827 -1.424 -1.051) 5.141 5.846 ( -3.258 -0.458 -5.518) 6.425 6.116 ( -10.684 2.294 -6.682) 12.809 6.237 ( -1.256 -0.859 8.947) 9.076 6.517 ( 17.483 -0.938 2.328) 17.663 6.738 ( -4.107 11.055 3.115) 12.198 6.828 ( 0.249 5.915 1.672) 6.152 7.563 ( 1.351 -7.132 -3.473) 8.047 7.587 ( 1.132 -4.402 2.112) 5.012 8.307 ( -0.689 7.662 -5.596) 9.513 8.353 ( -5.260 0.513 -5.500) 7.627 8.565 ( 3.863 16.499 -10.975) 20.188 9.117 ( 1.672 -0.881 0.137) 1.895 9.364 ( 0.060 0.314 -1.055) 1.103 9.554 ( -4.595 3.801 -4.148) 7.264 9.873 ( 0.290 -4.895 9.418) 10.618 10.028 ( 0.972 -6.724 -0.093) 6.794 10.458 ( -2.592 -3.582 -3.460) 5.614 10.573 ( 2.484 -3.728 -3.170) 5.488 10.756 ( -1.207 6.736 10.644) 12.654 10.923 ( -0.716 -2.682 16.763) 16.992 11.647 ( 1.051 2.141 -5.925) 6.387 11.767 ( -0.668 1.848 -7.618) 7.868 14.700 ( -6.041 -2.042 -7.457) 9.812 14.737 ( 4.504 -5.858 -10.260) 12.644 14.984 ( -3.239 -2.680 4.556) 6.200 15.163 ( 5.599 -15.349 0.933) 16.365 15.281 ( 4.095 -10.026 2.651) 11.149 15.416 ( -6.397 1.700 4.325) 7.907 15.773 ( 5.539 10.255 2.074) 11.838 15.848 ( -4.061 9.549 1.539) 10.490 18.167 ( -5.355 4.995 -5.641) 9.244 18.225 ( 5.581 6.637 -5.799) 10.432 19.011 ( -0.176 0.742 1.561) 1.737 19.023 ( 0.638 -1.383 1.311) 2.009 ======================= Grid point 110 (42/160) ======================= q-point: ( 0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 8.752 11.524 18.504) 23.490 1.240 ( 7.379 12.748 21.152) 25.776 1.933 ( -2.082 2.601 -11.656) 12.123 2.114 ( 14.796 20.878 25.867) 36.386 2.266 ( 3.073 9.142 -4.305) 10.561 2.429 ( -0.070 -0.950 -3.449) 3.578 2.770 ( -1.557 -0.489 -9.732) 9.868 2.792 ( -1.958 -2.239 1.811) 3.482 2.974 ( -4.648 -2.840 -3.958) 6.733 3.119 ( 0.765 -7.316 7.017) 10.167 3.415 ( -1.886 -10.229 6.832) 12.444 3.460 ( -8.665 -1.355 8.827) 12.443 3.538 ( -2.444 -5.802 5.692) 8.487 3.633 ( -6.605 -9.788 7.084) 13.771 3.720 ( 3.614 0.441 0.850) 3.738 3.829 ( -7.035 1.157 -6.209) 9.454 3.994 ( -5.957 1.638 -0.561) 6.204 4.252 ( 8.197 -3.222 3.949) 9.652 4.363 ( 1.556 11.123 -4.631) 12.149 4.523 ( -2.090 6.332 -4.596) 8.098 4.673 ( -0.321 -5.382 -10.032) 11.389 4.967 ( -5.913 -8.414 2.144) 10.505 5.291 ( 10.142 -5.817 4.459) 12.514 5.509 ( 2.711 -5.500 0.256) 6.137 5.517 ( -9.029 2.959 -4.712) 10.606 5.574 ( -1.358 -0.379 -0.020) 1.410 5.778 ( 3.079 3.312 -1.703) 4.832 5.978 ( 2.494 1.274 -2.386) 3.679 6.259 ( -6.506 -3.723 4.694) 8.845 6.646 ( -5.020 12.506 -0.192) 13.477 6.779 ( 4.741 10.579 0.389) 11.599 6.904 ( 8.810 -2.047 -0.306) 9.050 7.528 ( -1.491 -5.715 -0.488) 5.926 7.628 ( 0.672 -2.848 0.829) 3.042 8.151 ( -2.800 14.861 -3.611) 15.548 8.256 ( -1.575 -4.814 -5.643) 7.583 8.593 ( 2.956 6.458 4.876) 8.615 9.100 ( -2.750 1.762 -2.643) 4.202 9.308 ( -3.864 3.374 5.125) 7.252 9.493 ( 0.910 -0.612 -2.765) 2.975 9.924 ( -3.127 -6.305 2.155) 7.361 10.031 ( -2.463 -2.140 6.419) 7.200 10.285 ( -10.416 -4.548 -4.900) 12.377 10.511 ( -4.409 -2.137 -3.102) 5.799 10.968 ( 9.735 5.424 9.292) 14.510 11.275 ( 16.316 -4.242 6.491) 18.064 11.604 ( 4.004 3.393 -8.394) 9.900 11.715 ( 4.624 0.366 -6.270) 7.799 14.482 ( -7.774 -1.934 -8.701) 11.828 14.672 ( -5.526 -9.280 -3.725) 11.425 14.920 ( -7.438 3.881 0.566) 8.408 15.163 ( -1.527 -11.044 -0.505) 11.160 15.320 ( -3.302 3.127 0.625) 4.591 15.530 ( 6.644 -7.658 1.198) 10.209 15.625 ( -7.715 5.536 2.478) 9.814 15.922 ( 3.660 7.868 5.114) 10.073 18.101 ( 0.876 2.451 -1.705) 3.111 18.289 ( 7.761 5.778 -4.321) 10.597 19.015 ( -1.668 0.548 1.616) 2.386 19.036 ( -1.340 -1.336 1.636) 2.501 ======================= Grid point 111 (43/160) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 14.129 5.095 15.237) 21.395 1.629 ( 10.872 3.370 18.014) 21.309 1.800 ( -0.237 3.569 -5.373) 6.455 2.105 ( 1.311 10.212 -14.584) 17.852 2.343 ( -6.192 -2.702 -5.668) 8.818 2.545 ( 3.290 4.352 0.356) 5.467 2.663 ( -1.670 -5.412 -1.449) 5.846 2.815 ( -1.263 1.426 -3.239) 3.758 2.962 ( 5.089 6.808 16.267) 18.354 3.217 ( 0.022 -5.904 3.713) 6.975 3.241 ( -16.791 -3.632 0.533) 17.188 3.332 ( -20.905 -3.424 -1.878) 21.266 3.541 ( -1.575 -5.232 2.242) 5.906 3.614 ( 0.722 -3.153 3.073) 4.462 3.696 ( 2.305 -10.857 -0.846) 11.131 3.795 ( 7.687 4.140 -5.298) 10.213 3.967 ( -1.192 1.135 9.584) 9.725 4.288 ( -0.124 9.067 -3.218) 9.622 4.415 ( 1.180 -6.948 0.887) 7.103 4.505 ( -4.388 -2.040 -4.697) 6.744 4.566 ( 4.009 11.556 -0.096) 12.231 4.881 ( -3.664 -2.445 -2.480) 5.055 5.240 ( -7.745 3.779 -8.391) 12.028 5.452 ( 1.004 -7.287 3.700) 8.234 5.546 ( 2.334 -7.911 1.154) 8.329 5.628 ( -0.218 -4.759 4.517) 6.566 5.782 ( -1.658 -0.926 -1.256) 2.277 6.024 ( -5.261 1.270 -1.157) 5.535 6.218 ( 4.958 5.756 2.384) 7.962 6.566 ( -4.617 10.639 2.035) 11.775 6.811 ( 0.597 14.676 0.688) 14.705 7.038 ( 10.347 0.845 -5.518) 11.757 7.507 ( -2.494 -3.794 0.590) 4.578 7.616 ( 0.411 -1.664 -3.231) 3.657 8.137 ( -0.643 -0.716 -1.486) 1.770 8.198 ( 2.892 3.930 0.234) 4.886 8.754 ( 6.142 2.782 8.064) 10.512 9.013 ( -2.754 1.983 -2.257) 4.075 9.343 ( 0.199 2.443 4.395) 5.032 9.502 ( 2.649 -1.957 -0.345) 3.311 9.860 ( -5.044 -4.975 -0.638) 7.113 9.991 ( -12.960 -1.906 -3.451) 13.546 10.099 ( -2.882 -2.928 4.575) 6.149 10.380 ( -6.211 -1.750 -3.033) 7.130 11.249 ( 10.927 2.945 7.773) 13.729 11.509 ( 6.795 -1.042 -3.436) 7.685 11.627 ( 8.878 1.728 -2.119) 9.290 11.764 ( 7.790 -1.650 -4.222) 9.013 14.264 ( -6.089 0.503 -7.543) 9.707 14.494 ( -10.724 -5.208 -0.519) 11.933 14.730 ( -14.600 10.161 0.589) 17.798 15.007 ( -15.900 11.687 -2.680) 19.914 15.307 ( 5.834 -9.590 -0.425) 11.233 15.594 ( 5.491 -6.632 3.316) 9.227 15.759 ( 7.803 -7.391 2.013) 10.935 16.013 ( 0.307 4.819 4.110) 6.341 18.117 ( 2.400 -0.029 -0.477) 2.447 18.369 ( 6.790 6.019 -3.415) 9.694 18.987 ( -3.388 0.512 0.762) 3.510 19.019 ( -2.456 -0.707 1.206) 2.826 ======================= Grid point 112 (44/160) ======================= q-point: ( 0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -3.422 4.280 2.464) 6.008 1.826 ( 6.955 4.241 6.118) 10.188 1.962 ( 3.940 1.445 0.524) 4.229 2.018 ( 4.900 7.597 -4.988) 10.325 2.202 ( 3.259 -1.340 6.569) 7.455 2.571 ( 4.128 0.318 -2.171) 4.675 2.637 ( -13.224 -0.283 -10.059) 16.618 2.707 ( 3.982 -4.252 -2.349) 6.281 2.818 ( -8.226 -8.117 -6.697) 13.357 2.925 ( -21.215 -0.264 -0.089) 21.217 3.136 ( -7.228 2.972 9.019) 11.934 3.347 ( -6.738 -1.781 -2.663) 7.461 3.535 ( 9.414 4.147 3.439) 10.847 3.685 ( 6.320 -9.114 -1.708) 11.221 3.769 ( 2.815 -13.565 0.226) 13.855 3.871 ( 11.101 4.159 -9.005) 14.886 4.169 ( 1.410 -1.095 13.259) 13.379 4.278 ( -4.760 1.216 -1.335) 5.091 4.298 ( 2.889 3.763 0.139) 4.746 4.476 ( 1.582 -6.139 -1.996) 6.647 4.623 ( -1.358 5.915 2.758) 6.666 4.781 ( -2.184 1.320 -5.158) 5.755 5.083 ( -3.805 9.992 -1.207) 10.760 5.431 ( -7.123 -7.172 -0.081) 10.108 5.568 ( -4.489 -5.000 1.654) 6.920 5.651 ( -1.621 -3.327 2.001) 4.207 5.717 ( -3.177 -5.874 0.611) 6.706 5.871 ( -6.171 -1.765 -0.243) 6.423 6.330 ( 1.681 17.289 1.159) 17.409 6.551 ( -1.230 7.139 2.053) 7.529 6.885 ( 6.177 9.876 3.950) 12.300 7.125 ( 7.337 5.182 -5.594) 10.582 7.432 ( -4.254 -1.103 -2.227) 4.927 7.595 ( 1.108 -1.968 -2.497) 3.367 8.104 ( 1.809 1.009 -3.700) 4.240 8.313 ( 4.928 0.289 4.409) 6.619 8.944 ( 5.777 -0.128 4.689) 7.442 8.990 ( 2.386 0.049 0.847) 2.532 9.393 ( -0.665 1.738 3.844) 4.271 9.567 ( 2.900 -5.774 0.728) 6.502 9.679 ( -12.165 -2.818 -5.006) 13.453 9.776 ( -4.324 0.540 -4.102) 5.984 10.112 ( -4.342 -1.198 5.855) 7.387 10.255 ( -4.335 -2.157 -2.411) 5.409 11.484 ( 6.762 0.543 2.961) 7.402 11.534 ( 6.357 2.135 -3.574) 7.599 11.765 ( 5.240 -0.474 1.705) 5.531 11.855 ( 6.578 -2.488 -1.746) 7.246 14.124 ( -3.359 3.728 -2.214) 5.485 14.337 ( -8.261 -0.001 1.796) 8.454 14.491 ( -12.969 11.196 -0.260) 17.135 14.712 ( -15.894 12.542 0.389) 20.250 15.422 ( 9.085 -7.146 -3.217) 11.999 15.734 ( 5.598 -6.722 3.045) 9.262 15.872 ( 2.912 -6.800 1.521) 7.552 16.018 ( -1.719 0.625 -1.136) 2.154 18.177 ( 4.482 -1.403 1.212) 4.850 18.427 ( 3.432 4.837 -1.975) 6.251 18.929 ( -3.422 1.025 -0.006) 3.572 18.983 ( -2.807 0.891 0.155) 2.949 ======================= Grid point 113 (45/160) ======================= q-point: ( 0.40 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -6.880 1.887 1.714) 7.337 1.889 ( -3.091 6.283 1.909) 7.258 1.995 ( 5.339 4.871 -2.491) 7.644 2.048 ( 1.114 2.824 -0.363) 3.057 2.367 ( 2.627 0.511 -6.042) 6.609 2.432 ( -1.703 1.878 4.805) 5.433 2.595 ( -13.110 3.582 1.952) 13.730 2.645 ( 4.308 -2.520 -0.753) 5.047 2.694 ( 0.614 -9.580 -0.014) 9.599 2.800 ( 5.739 -4.781 -2.985) 8.044 3.069 ( -6.430 2.515 1.335) 7.033 3.190 ( -6.941 3.353 -1.197) 7.801 3.662 ( 5.638 -0.917 -4.070) 7.014 3.747 ( 5.387 -4.317 -6.163) 9.255 3.805 ( 3.205 -12.466 -1.570) 12.967 3.992 ( 12.616 -1.683 -4.092) 13.369 4.202 ( -2.943 -3.196 -0.844) 4.426 4.227 ( -0.295 -1.948 5.187) 5.548 4.319 ( -3.880 -3.892 -5.558) 7.816 4.540 ( -4.487 -12.085 11.550) 17.309 4.593 ( -1.421 2.080 -0.827) 2.651 4.763 ( 8.803 9.514 -8.952) 15.753 5.081 ( -0.414 7.874 7.107) 10.615 5.281 ( -8.594 4.598 2.242) 10.001 5.400 ( -11.720 0.783 -2.104) 11.933 5.638 ( -1.189 -3.185 0.292) 3.412 5.711 ( -1.014 -7.542 1.680) 7.793 5.824 ( -1.045 -3.707 -0.431) 3.876 6.342 ( -1.107 17.347 1.990) 17.496 6.545 ( -1.176 8.882 1.468) 9.079 7.054 ( 5.558 6.319 3.890) 9.271 7.124 ( 0.852 4.652 -6.489) 8.030 7.366 ( -0.254 1.166 -1.001) 1.558 7.608 ( 1.158 0.445 2.124) 2.459 8.107 ( 3.475 1.832 -4.122) 5.694 8.423 ( 3.125 -2.690 0.877) 4.215 9.043 ( 5.315 -3.096 0.400) 6.163 9.109 ( 4.260 -0.866 4.026) 5.925 9.381 ( -5.614 -1.700 1.308) 6.010 9.416 ( -8.898 -1.249 -1.708) 9.146 9.589 ( 0.106 -1.412 -4.632) 4.843 9.726 ( 2.022 -0.193 -1.981) 2.837 10.085 ( -5.425 -0.784 3.731) 6.630 10.188 ( -0.969 -1.840 -1.428) 2.522 11.534 ( 4.283 -0.128 -2.352) 4.888 11.672 ( 4.306 1.019 3.999) 5.964 11.826 ( 0.740 -0.229 0.327) 0.841 11.931 ( 3.285 -2.026 0.092) 3.861 14.105 ( -1.396 6.379 5.442) 8.501 14.264 ( -4.248 4.910 3.572) 7.410 14.316 ( -7.422 10.727 0.720) 13.065 14.503 ( -9.593 9.852 1.154) 13.799 15.521 ( 6.470 -2.947 -2.522) 7.544 15.820 ( 1.690 -2.924 -3.222) 4.667 15.887 ( 1.169 -5.305 -1.580) 5.657 15.959 ( -0.941 -5.569 -3.270) 6.526 18.295 ( 6.008 -2.170 3.314) 7.197 18.426 ( -2.066 0.982 -0.234) 2.299 18.890 ( -0.587 3.067 -0.436) 3.153 18.931 ( -2.727 2.586 -0.887) 3.861 ======================= Grid point 114 (46/160) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -0.430 -1.634 5.496) 5.750 1.832 ( -1.860 3.662 -0.049) 4.107 2.070 ( 3.600 8.999 4.326) 10.614 2.117 ( 3.119 4.403 -2.119) 5.797 2.275 ( -7.700 0.063 -3.922) 8.641 2.437 ( 1.276 -0.006 -0.422) 1.344 2.488 ( 3.949 -0.618 0.818) 4.079 2.674 ( -0.101 1.412 -2.911) 3.237 2.752 ( 3.266 -4.884 2.327) 6.319 2.849 ( -0.829 -3.259 -3.610) 4.934 2.982 ( -5.273 3.319 -0.745) 6.275 3.156 ( 6.605 1.260 0.294) 6.731 3.700 ( 4.264 -3.148 -2.839) 6.012 3.734 ( 3.384 -3.570 -6.990) 8.547 3.824 ( -1.449 -10.379 -1.611) 10.602 4.079 ( -3.560 -3.886 -6.596) 8.443 4.110 ( -6.709 -5.820 1.667) 9.037 4.181 ( -1.418 -3.095 0.439) 3.432 4.300 ( 2.941 -4.155 1.785) 5.394 4.564 ( -2.250 -11.906 7.027) 14.007 4.673 ( 6.819 -0.746 1.325) 6.986 4.728 ( 1.623 9.326 -9.190) 13.194 5.064 ( -0.978 4.048 -1.359) 4.380 5.216 ( -8.873 9.848 4.366) 13.956 5.380 ( 8.158 3.715 5.281) 10.404 5.602 ( -1.173 -1.238 -4.718) 5.017 5.695 ( -2.035 -8.637 1.091) 8.941 5.807 ( -0.222 -4.163 0.395) 4.187 6.357 ( -1.455 15.838 4.491) 16.527 6.569 ( 0.677 9.399 3.598) 10.087 7.003 ( -4.913 4.284 -5.202) 8.340 7.144 ( 3.931 6.877 -4.363) 9.044 7.399 ( 1.034 0.490 4.627) 4.766 7.681 ( 1.698 2.165 5.473) 6.125 8.117 ( 3.472 -0.142 -4.343) 5.563 8.395 ( -3.006 -1.731 -5.622) 6.606 9.082 ( -2.402 -3.358 -0.269) 4.138 9.151 ( -6.595 -1.908 2.824) 7.424 9.323 ( -0.507 -0.535 -0.251) 0.778 9.370 ( 5.342 -2.359 2.776) 6.466 9.575 ( 4.479 1.703 -3.700) 6.054 9.707 ( -0.407 -1.507 -4.876) 5.120 10.031 ( -3.952 -0.807 1.507) 4.306 10.184 ( 1.778 -1.650 -0.555) 2.488 11.591 ( 2.023 -1.889 1.504) 3.150 11.733 ( -2.515 1.333 3.147) 4.243 11.820 ( 0.119 -0.018 -0.753) 0.763 11.965 ( 0.358 -0.918 0.531) 1.119 14.181 ( -0.036 9.134 8.099) 12.208 14.263 ( -1.261 8.740 3.193) 9.390 14.281 ( -0.915 6.735 6.408) 9.342 14.437 ( -0.711 7.930 3.541) 8.714 15.572 ( 3.241 -1.281 -3.078) 4.650 15.696 ( -0.908 -0.900 -13.729) 13.788 15.895 ( -3.429 -7.260 -1.963) 8.266 15.936 ( 4.112 -4.965 -1.559) 6.632 18.363 ( -5.588 -2.980 1.550) 6.520 18.439 ( 5.341 -1.009 3.992) 6.744 18.874 ( -1.575 3.919 -1.591) 4.514 18.898 ( 1.501 3.692 -0.768) 4.058 ======================= Grid point 115 (47/160) ======================= q-point: (-0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -6.423 -0.668 -3.108) 7.167 1.837 ( 2.303 2.069 6.321) 7.038 1.954 ( -13.684 0.025 -7.855) 15.778 2.182 ( 2.202 1.847 2.029) 3.518 2.218 ( 3.081 8.217 7.702) 11.677 2.542 ( 12.650 1.006 -2.272) 12.891 2.616 ( 8.293 1.092 -8.975) 12.269 2.708 ( 5.479 0.650 -0.256) 5.524 2.745 ( -1.809 -2.345 -1.337) 3.250 2.802 ( 4.963 0.250 2.047) 5.374 2.940 ( -3.043 -1.550 3.878) 5.168 3.234 ( 6.531 0.898 -11.251) 13.040 3.591 ( -13.114 -6.521 -6.762) 16.132 3.700 ( -11.324 -4.691 -7.374) 14.304 3.775 ( -0.252 -2.266 3.431) 4.120 3.844 ( -0.819 -9.526 0.076) 9.561 4.092 ( -4.627 4.630 2.737) 7.095 4.233 ( 5.777 -6.740 0.812) 8.915 4.342 ( 2.424 -3.588 1.309) 4.524 4.506 ( -5.536 9.985 -4.214) 12.170 4.668 ( 3.509 -6.265 3.523) 7.999 4.898 ( 2.129 -3.783 6.554) 7.862 5.114 ( -0.593 7.205 -0.702) 7.263 5.213 ( 14.340 -1.116 -0.498) 14.392 5.481 ( -0.060 -0.561 -7.523) 7.544 5.552 ( 5.968 0.890 -1.412) 6.197 5.702 ( -0.540 -8.085 4.298) 9.172 5.841 ( 2.304 -3.034 2.343) 4.472 6.382 ( -3.851 15.796 5.817) 17.267 6.624 ( -2.222 6.172 4.632) 8.030 6.858 ( -3.741 8.205 -4.010) 9.869 7.123 ( 2.417 6.082 -6.860) 9.481 7.478 ( 0.576 -0.989 5.473) 5.591 7.755 ( -0.919 -0.356 3.519) 3.655 8.114 ( 1.491 -2.596 -3.287) 4.446 8.270 ( -0.818 4.688 -5.507) 7.278 8.978 ( -9.306 -2.094 0.327) 9.545 9.017 ( -9.096 -0.247 0.535) 9.115 9.339 ( -0.331 0.566 1.011) 1.205 9.543 ( 8.529 -4.627 0.556) 9.719 9.592 ( 0.507 -1.008 -4.074) 4.227 9.677 ( 7.924 1.828 -3.925) 9.030 10.008 ( -0.168 -0.762 1.223) 1.451 10.234 ( 4.275 -2.391 0.346) 4.911 11.548 ( -8.985 -1.212 -0.812) 9.103 11.734 ( -1.182 0.908 4.734) 4.963 11.818 ( -0.938 -1.156 0.772) 1.677 11.958 ( -1.788 -0.355 0.459) 1.880 14.264 ( 1.371 7.426 4.391) 8.736 14.332 ( 7.870 11.911 1.263) 14.332 14.411 ( 0.686 2.045 14.452) 14.612 14.564 ( 6.375 9.119 8.501) 14.002 15.501 ( -0.731 -3.151 -15.264) 15.603 15.560 ( 1.516 -0.347 -7.599) 7.757 15.792 ( -4.624 -8.876 -3.607) 10.638 15.969 ( 1.413 -2.594 -1.289) 3.223 18.290 ( -5.837 -3.894 2.994) 7.628 18.546 ( 1.531 2.181 3.475) 4.379 18.847 ( 1.307 2.395 -1.763) 3.248 18.920 ( 2.134 2.986 -1.156) 3.848 ======================= Grid point 116 (48/160) ======================= q-point: (-0.30 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -15.662 4.714 -10.746) 19.571 1.550 ( -21.321 4.151 -6.969) 22.812 2.009 ( 3.412 1.023 11.340) 11.887 2.331 ( 4.395 -0.999 3.204) 5.530 2.375 ( 9.032 0.952 4.301) 10.049 2.541 ( 0.754 6.207 -12.108) 13.627 2.666 ( -1.885 0.954 -0.458) 2.162 2.737 ( 0.710 3.263 0.324) 3.355 2.768 ( 2.992 -0.760 -6.114) 6.849 2.854 ( 0.140 2.834 -1.728) 3.322 3.097 ( 13.029 -0.425 3.284) 13.443 3.141 ( 0.661 5.021 -15.862) 16.651 3.253 ( -8.575 -7.723 1.122) 11.595 3.418 ( -3.322 -9.861 -12.197) 16.032 3.810 ( -0.776 -3.566 3.001) 4.725 3.931 ( 0.181 -4.958 5.200) 7.187 3.995 ( -6.548 2.584 0.524) 7.058 4.334 ( 4.252 -4.058 2.124) 6.249 4.455 ( 0.822 9.339 2.817) 9.789 4.510 ( 9.463 -1.339 3.959) 10.345 4.724 ( 0.988 -8.237 -0.398) 8.306 4.817 ( -7.084 3.274 -0.653) 7.831 5.266 ( 9.668 -3.041 6.432) 12.004 5.314 ( -1.174 3.546 -4.489) 5.840 5.468 ( 6.702 -7.936 -5.942) 11.967 5.669 ( 7.638 -0.842 1.503) 7.830 5.769 ( 3.090 -8.447 3.135) 9.525 5.923 ( 4.845 -2.265 0.771) 5.404 6.292 ( -12.574 13.355 0.723) 18.357 6.587 ( -3.284 5.364 3.271) 7.089 6.834 ( -0.461 14.611 1.439) 14.689 7.091 ( 2.658 2.936 -5.586) 6.847 7.521 ( -1.569 -3.512 2.214) 4.438 7.694 ( -5.099 -4.371 -3.048) 7.375 8.125 ( 1.398 7.002 1.288) 7.255 8.281 ( 4.962 1.545 0.316) 5.206 8.794 ( -11.833 0.535 -0.585) 11.859 8.897 ( -3.932 1.296 -0.577) 4.180 9.321 ( -3.436 2.172 1.393) 4.297 9.516 ( 0.186 -0.216 -1.766) 1.789 9.719 ( 8.923 -4.181 -2.370) 10.135 9.774 ( 7.724 -0.631 -4.427) 8.925 10.078 ( 5.633 -0.755 3.758) 6.814 10.330 ( 5.941 -3.181 0.725) 6.778 11.324 ( -14.003 1.000 -2.703) 14.297 11.733 ( -6.657 -3.645 4.413) 8.779 11.820 ( -1.165 -0.216 2.752) 2.996 11.915 ( -3.531 -1.064 0.023) 3.688 14.368 ( 6.382 5.849 2.981) 9.156 14.553 ( 12.664 9.614 6.665) 17.240 14.618 ( 3.369 3.053 14.260) 14.967 14.800 ( 9.017 8.860 7.450) 14.674 15.317 ( -0.749 -4.885 -12.502) 13.443 15.454 ( 0.853 -0.483 -14.781) 14.814 15.665 ( -5.369 -11.580 -3.300) 13.184 15.945 ( -2.665 -0.837 -1.335) 3.096 18.241 ( -4.546 -2.506 3.507) 6.265 18.565 ( -3.037 5.186 2.598) 6.547 18.880 ( 4.318 0.303 -1.445) 4.563 18.941 ( 2.003 1.571 -1.102) 2.774 ======================= Grid point 117 (49/160) ======================= q-point: (-0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -18.077 11.655 -7.324) 22.721 1.123 ( -22.958 11.390 0.045) 25.628 2.073 ( -35.481 26.450 -3.087) 44.362 2.187 ( 1.559 4.393 7.160) 8.544 2.364 ( 0.359 4.012 -4.080) 5.734 2.514 ( 2.295 -4.553 1.019) 5.200 2.623 ( 3.729 -3.152 -0.919) 4.968 2.773 ( 8.299 0.526 -2.146) 8.589 2.864 ( 6.721 -3.819 -8.735) 11.664 2.935 ( 10.371 -1.290 2.291) 10.699 3.067 ( -0.054 -6.603 -5.504) 8.596 3.116 ( 6.202 -0.094 -2.848) 6.825 3.290 ( 5.042 -1.563 -7.282) 8.994 3.395 ( 3.861 -3.530 2.008) 5.603 3.760 ( -7.523 4.685 -1.331) 8.962 3.933 ( 2.126 -3.380 2.324) 4.620 4.008 ( 2.346 -8.133 0.147) 8.466 4.390 ( -4.801 -0.702 -2.949) 5.678 4.433 ( 3.673 0.827 0.295) 3.777 4.679 ( 6.533 4.490 2.270) 8.245 4.746 ( -3.666 4.146 1.833) 5.830 4.899 ( 7.518 -7.896 15.364) 18.839 5.227 ( -0.788 5.746 -4.872) 7.575 5.431 ( 2.324 -10.663 -4.690) 11.878 5.508 ( 5.094 -8.146 -0.494) 9.620 5.683 ( -5.135 -3.055 -0.119) 5.977 5.886 ( 4.030 -3.521 3.818) 6.574 5.999 ( 3.709 -0.456 -2.321) 4.399 6.097 ( -8.133 6.773 3.083) 11.024 6.625 ( 2.214 7.077 3.146) 8.055 6.810 ( -3.157 14.461 0.110) 14.802 7.024 ( -6.002 2.540 -5.799) 8.724 7.493 ( 0.574 -7.651 -1.318) 7.785 7.598 ( -2.036 -2.527 -2.129) 3.881 8.188 ( 4.289 13.967 2.358) 14.800 8.385 ( 2.606 -2.963 2.121) 4.480 8.631 ( -3.020 6.697 -1.847) 7.575 8.882 ( 1.160 2.843 2.529) 3.978 9.265 ( -5.066 1.503 1.989) 5.647 9.531 ( 1.594 2.493 0.312) 2.976 9.802 ( 4.280 -2.438 -2.483) 5.516 9.847 ( 7.968 -4.894 -3.274) 9.908 10.262 ( 10.059 -0.865 3.179) 10.584 10.431 ( 5.106 -3.607 -0.222) 6.255 11.043 ( -15.318 2.536 -1.784) 15.628 11.604 ( -15.540 -12.385 3.487) 20.175 11.789 ( -4.639 1.104 -0.399) 4.785 11.878 ( -0.906 -1.410 1.042) 1.973 14.552 ( 10.608 3.675 4.105) 11.953 14.810 ( 0.131 2.371 10.068) 10.344 14.905 ( 10.883 5.041 16.921) 20.740 15.000 ( 14.583 10.711 -5.373) 18.875 15.218 ( 1.819 -3.960 -13.041) 13.750 15.245 ( -1.339 -3.120 -11.512) 12.003 15.556 ( -3.932 -11.261 -0.729) 11.949 15.851 ( -5.729 1.610 -1.891) 6.244 18.215 ( -3.066 0.249 2.633) 4.049 18.524 ( -3.968 4.289 0.608) 5.875 18.940 ( 3.907 0.188 -0.658) 3.967 18.964 ( 1.759 0.265 -0.451) 1.835 ======================= Grid point 118 (50/160) ======================= q-point: (-0.10 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -6.875 25.192 13.037) 29.187 0.847 ( -16.890 19.630 13.746) 29.318 1.495 ( -32.062 39.204 9.404) 51.510 2.185 ( -3.507 7.263 -0.023) 8.065 2.333 ( 0.654 5.807 -1.705) 6.088 2.601 ( 3.879 -3.076 -1.590) 5.200 2.733 ( 6.208 -3.333 4.315) 8.262 2.796 ( 1.135 -9.824 -1.152) 9.956 2.931 ( 8.833 -1.564 0.240) 8.973 3.054 ( 4.842 -2.218 -1.645) 5.574 3.111 ( 0.826 -6.695 -1.467) 6.904 3.217 ( 10.098 -4.684 2.535) 11.417 3.333 ( 7.768 6.695 -1.859) 10.422 3.461 ( -0.393 -3.980 4.802) 6.249 3.650 ( -3.740 2.976 2.506) 5.396 3.972 ( 0.528 -3.108 -1.437) 3.464 4.044 ( 5.113 -7.198 -4.676) 9.991 4.247 ( -3.563 -4.456 -7.159) 9.154 4.582 ( 9.118 3.162 3.448) 10.248 4.604 ( -8.253 9.739 -2.261) 12.964 4.832 ( 2.644 5.485 2.232) 6.485 5.095 ( -7.888 -12.217 8.487) 16.838 5.172 ( -10.383 -6.057 3.340) 12.476 5.306 ( 2.489 -4.227 -14.915) 15.701 5.469 ( 1.384 -5.280 5.960) 8.082 5.740 ( 0.076 0.487 4.587) 4.614 5.930 ( -1.482 -3.051 -1.679) 3.785 6.060 ( 9.895 3.017 2.878) 10.738 6.123 ( 0.797 1.101 7.997) 8.112 6.596 ( -10.758 -0.779 -8.458) 13.707 6.756 ( -3.699 11.738 3.451) 12.782 6.828 ( -2.851 9.048 -1.836) 9.663 7.539 ( 5.263 -6.957 -2.455) 9.062 7.566 ( -0.130 -3.744 -0.147) 3.749 8.314 ( 6.057 8.277 -1.070) 10.312 8.389 ( -1.921 -2.458 3.155) 4.437 8.638 ( 12.525 19.820 -18.159) 29.655 9.029 ( 6.906 -0.220 8.218) 10.736 9.237 ( -0.930 2.336 7.585) 7.991 9.566 ( 2.379 5.006 0.851) 5.607 9.827 ( -0.592 -3.950 1.332) 4.211 9.956 ( 8.007 -6.052 -2.458) 10.333 10.436 ( 7.626 -1.634 -2.828) 8.296 10.499 ( 3.997 -3.157 1.918) 5.442 10.807 ( -12.315 3.658 3.128) 13.222 11.223 ( -33.906 -17.291 2.821) 38.165 11.707 ( -2.119 1.569 -2.998) 3.992 11.860 ( -0.952 -0.928 -3.385) 3.637 14.796 ( 7.189 -0.313 0.740) 7.234 14.844 ( 2.052 0.556 4.119) 4.635 14.909 ( -1.475 -0.211 -22.067) 22.117 15.071 ( 3.616 -8.661 -2.122) 9.623 15.230 ( -3.791 -6.856 11.303) 13.753 15.451 ( 8.951 2.076 12.189) 15.265 15.537 ( 9.946 3.094 -0.661) 10.437 15.762 ( 0.174 10.321 -0.292) 10.326 18.199 ( -0.802 2.710 0.640) 2.898 18.414 ( -5.510 2.312 -8.820) 10.654 18.986 ( 1.357 1.065 0.855) 1.925 18.992 ( 2.014 -1.327 0.010) 2.411 ======================= Grid point 119 (51/160) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -3.958 20.299 10.619) 23.248 1.401 ( -3.271 23.237 11.160) 25.985 2.141 ( -3.431 -2.114 -11.181) 11.885 2.282 ( -0.860 16.828 5.727) 17.796 2.370 ( 6.975 18.527 7.946) 21.332 2.521 ( -0.139 2.758 -5.062) 5.767 2.672 ( 4.548 -9.465 4.579) 11.456 2.759 ( -2.262 -3.417 -0.694) 4.156 2.957 ( 1.356 -0.874 -10.369) 10.494 2.972 ( -0.636 -6.349 1.951) 6.672 3.157 ( -1.832 -5.632 2.838) 6.567 3.263 ( 7.338 -6.627 10.664) 14.543 3.458 ( 1.047 -8.280 -0.156) 8.347 3.520 ( -0.663 0.901 9.456) 9.522 3.637 ( 6.631 8.042 1.889) 10.593 3.874 ( 3.858 -11.888 2.952) 12.842 3.971 ( -6.709 4.348 5.401) 9.648 4.248 ( -0.714 10.722 -1.653) 10.872 4.640 ( -3.244 7.897 -3.221) 9.125 4.663 ( -1.858 -4.568 -3.751) 6.196 4.791 ( -7.079 -4.288 -3.981) 9.184 4.852 ( 2.897 0.777 -1.970) 3.588 5.012 ( 1.084 -0.620 4.887) 5.044 5.413 ( 0.616 -6.777 4.674) 8.255 5.446 ( 3.603 -0.564 -0.829) 3.740 5.714 ( -1.800 -3.037 -0.519) 3.568 5.824 ( 1.384 2.792 -3.332) 4.562 6.147 ( -11.156 0.618 -5.741) 12.562 6.200 ( -6.056 -2.229 2.945) 7.093 6.463 ( 18.779 -3.760 2.276) 19.287 7.031 ( -3.592 14.089 1.287) 14.596 7.046 ( 0.223 13.001 -1.170) 13.055 7.392 ( 0.886 -8.664 -1.438) 8.827 7.487 ( 1.196 -3.982 2.602) 4.905 8.226 ( -2.667 -5.325 -2.156) 6.334 8.401 ( -1.024 -0.656 5.426) 5.561 8.886 ( -1.192 12.197 -12.804) 17.723 9.117 ( 4.021 1.749 0.016) 4.385 9.387 ( 4.343 1.915 -0.094) 4.747 9.635 ( -11.671 2.750 -1.997) 12.156 9.807 ( 3.182 -1.035 2.892) 4.423 9.875 ( 2.425 -7.068 0.723) 7.507 10.348 ( -1.835 -7.053 -3.397) 8.041 10.463 ( 1.277 -6.670 -2.548) 7.253 10.922 ( -0.218 8.664 9.314) 12.723 10.978 ( -0.503 6.032 11.760) 13.227 11.686 ( 1.099 1.449 -4.556) 4.906 11.763 ( -0.116 -1.560 -5.472) 5.692 14.647 ( 2.728 -4.601 -11.062) 12.288 14.664 ( -6.462 -2.702 -9.074) 11.463 14.845 ( -3.654 -11.677 1.482) 12.325 14.871 ( 2.598 -8.382 0.663) 8.800 15.184 ( 3.553 0.005 4.621) 5.829 15.407 ( -1.611 -2.159 8.779) 9.183 15.953 ( 4.787 7.087 1.456) 8.676 16.008 ( -3.253 5.945 1.312) 6.903 18.247 ( -2.741 4.268 -2.743) 5.766 18.327 ( 3.287 3.213 -6.079) 7.621 18.983 ( 0.311 -2.225 1.601) 2.759 19.023 ( -0.058 -0.104 1.155) 1.161 ======================= Grid point 120 (52/160) ======================= q-point: ( 0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 2.395 14.247 9.339) 17.203 1.539 ( 1.547 15.867 13.912) 21.158 1.950 ( -2.956 -1.100 -9.216) 9.740 2.313 ( 2.138 -0.515 -1.076) 2.448 2.412 ( -0.762 3.904 -7.872) 8.820 2.659 ( -5.308 0.841 0.173) 5.377 2.738 ( 1.306 8.128 2.479) 8.597 2.836 ( 9.895 -1.759 4.140) 10.870 2.866 ( 5.914 9.678 4.411) 12.169 2.985 ( -2.237 -8.032 2.665) 8.753 3.143 ( -1.630 -14.655 -0.317) 14.748 3.311 ( -0.849 -9.163 -0.433) 9.213 3.425 ( -11.644 0.040 4.513) 12.488 3.643 ( -2.809 4.235 14.553) 15.415 3.759 ( 1.309 2.304 3.718) 4.566 3.870 ( -6.546 2.860 -0.615) 7.170 4.044 ( -3.437 2.032 4.529) 6.037 4.199 ( 3.624 2.752 4.458) 6.370 4.502 ( -6.353 0.926 -5.945) 8.750 4.626 ( 1.214 1.955 -7.836) 8.167 4.675 ( 6.600 6.487 -5.635) 10.835 4.851 ( -4.200 -2.573 3.865) 6.261 5.160 ( 6.897 -6.876 4.219) 10.614 5.376 ( -4.488 -7.332 1.493) 8.725 5.509 ( 1.630 -5.367 1.594) 5.831 5.580 ( -10.231 1.140 -5.775) 11.803 5.789 ( -3.548 -1.979 -4.356) 5.957 6.057 ( 8.183 5.503 -0.822) 9.895 6.163 ( -2.569 -3.311 2.837) 5.061 6.799 ( 17.424 -4.230 -0.607) 17.941 6.940 ( -4.648 13.043 -1.106) 13.891 7.075 ( 1.783 13.578 0.756) 13.715 7.385 ( -0.749 -7.583 0.712) 7.653 7.549 ( 2.123 -4.046 1.506) 4.810 8.162 ( -2.141 -2.333 -0.736) 3.251 8.390 ( -3.863 5.694 -1.146) 6.975 8.767 ( 0.093 10.635 -1.771) 10.782 9.146 ( 0.246 3.079 -2.565) 4.015 9.413 ( -6.200 6.222 6.209) 10.757 9.473 ( -0.614 -1.455 -3.555) 3.890 9.790 ( -1.283 -6.087 -2.977) 6.897 9.959 ( 0.733 -4.264 6.497) 7.805 10.183 ( -10.153 -5.250 -4.868) 12.424 10.421 ( -2.946 -6.501 -2.835) 7.680 11.094 ( 6.551 6.242 9.182) 12.891 11.241 ( 12.093 0.851 8.590) 14.857 11.666 ( 3.961 2.408 -6.387) 7.892 11.712 ( 2.967 -0.487 -6.149) 6.845 14.461 ( -5.026 -0.257 -8.651) 10.009 14.558 ( -2.489 -2.526 -7.115) 7.950 14.810 ( 4.197 -11.861 -0.669) 12.600 15.013 ( 7.183 -9.417 3.856) 12.456 15.232 ( -2.452 0.247 1.082) 2.692 15.502 ( 3.452 -0.929 4.901) 6.066 15.774 ( -19.099 8.442 0.268) 20.883 16.052 ( 0.200 4.453 3.947) 5.954 18.196 ( 0.959 6.069 -2.930) 6.807 18.363 ( 7.392 1.794 -4.788) 8.988 18.995 ( -1.312 -2.193 2.135) 3.331 19.024 ( -1.534 -0.182 1.133) 1.916 ======================= Grid point 121 (53/160) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 11.795 5.852 11.353) 17.386 1.728 ( 1.402 5.399 11.937) 13.176 1.878 ( 2.357 4.320 -0.231) 4.927 2.253 ( -5.500 -1.677 -4.121) 7.075 2.350 ( 2.477 8.573 -9.879) 13.313 2.544 ( -2.253 -4.348 -1.791) 5.214 2.647 ( -1.737 3.046 -7.071) 7.893 2.767 ( -1.985 -6.522 -9.102) 11.372 2.984 ( -9.021 -6.031 0.076) 10.852 3.095 ( 1.687 -11.687 0.254) 11.811 3.180 ( -13.639 -3.669 3.256) 14.494 3.279 ( 4.771 6.111 12.567) 14.766 3.386 ( -0.090 -0.819 6.050) 6.106 3.574 ( -8.186 -0.164 -4.150) 9.179 3.725 ( -6.477 5.246 2.761) 8.780 3.900 ( 6.254 4.310 6.789) 10.188 3.990 ( -2.698 3.318 4.401) 6.136 4.327 ( -2.300 -1.510 3.438) 4.403 4.378 ( -1.816 0.488 -2.055) 2.786 4.511 ( -1.507 3.818 -8.734) 9.650 4.767 ( 5.041 6.798 -1.568) 8.606 4.848 ( -2.881 0.124 4.571) 5.404 5.255 ( 0.345 -8.021 0.085) 8.029 5.334 ( -2.086 -1.122 -4.370) 4.970 5.410 ( -1.196 -2.916 6.591) 7.306 5.551 ( 1.248 -3.327 0.387) 3.574 5.684 ( -4.287 -7.405 -3.619) 9.290 5.965 ( -9.226 -5.574 -1.145) 10.840 6.386 ( 15.790 10.225 1.880) 18.905 6.833 ( -5.839 11.074 1.193) 12.576 7.032 ( 10.048 2.282 -4.729) 11.337 7.130 ( 6.263 12.270 0.014) 13.776 7.394 ( -0.487 -6.027 2.242) 6.449 7.571 ( 0.836 -3.238 -1.996) 3.895 8.142 ( -1.137 2.235 1.330) 2.839 8.314 ( -0.896 6.065 -1.908) 6.421 8.834 ( 3.336 5.058 5.514) 8.193 9.067 ( -4.197 3.396 -3.134) 6.242 9.408 ( 0.397 1.938 2.479) 3.172 9.449 ( -3.104 -2.187 1.707) 4.163 9.742 ( -1.434 -5.347 -2.439) 6.049 9.937 ( -9.646 -3.027 -6.344) 11.936 10.035 ( -1.275 -3.288 7.016) 7.852 10.307 ( -6.014 -5.462 -2.810) 8.597 11.321 ( 8.205 3.673 7.299) 11.580 11.485 ( 7.771 -1.039 2.348) 8.184 11.675 ( 6.338 2.554 -5.376) 8.695 11.732 ( 6.387 -1.118 -4.355) 7.811 14.305 ( -2.518 3.211 -6.621) 7.778 14.434 ( -5.129 -0.298 -1.407) 5.327 14.913 ( 3.212 -2.117 -0.051) 3.848 15.059 ( -3.021 4.450 -0.364) 5.391 15.256 ( 0.950 -6.662 1.670) 6.933 15.452 ( -8.505 3.718 -0.196) 9.285 15.640 ( 3.228 -4.558 3.168) 6.421 16.065 ( -3.630 0.191 2.933) 4.671 18.198 ( 1.746 6.627 -1.098) 6.941 18.438 ( 6.815 1.083 -3.903) 7.927 18.990 ( -2.719 -1.246 2.011) 3.604 18.998 ( -1.786 -0.427 0.402) 1.879 ======================= Grid point 122 (54/160) ======================= q-point: ( 0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -5.048 0.354 9.121) 10.431 1.943 ( 7.552 6.230 5.229) 11.098 2.011 ( 4.366 4.081 4.369) 7.403 2.160 ( 4.130 -1.692 2.762) 5.248 2.219 ( -0.503 9.868 -8.736) 13.189 2.549 ( 1.670 -3.581 -4.326) 5.859 2.588 ( -2.013 -4.089 -0.925) 4.651 2.642 ( 1.745 -3.993 -9.819) 10.743 2.677 ( -9.301 -2.164 -11.565) 14.998 2.937 ( -17.292 1.581 2.353) 17.523 3.157 ( -5.335 -1.464 8.523) 10.161 3.250 ( -2.687 -6.788 -0.382) 7.310 3.495 ( 0.706 -8.749 -1.733) 8.947 3.539 ( 0.627 -2.711 3.172) 4.219 3.684 ( 2.415 4.845 0.212) 5.418 3.975 ( 3.841 2.989 -4.434) 6.584 4.083 ( 0.251 -7.614 -0.931) 7.675 4.270 ( -6.034 -1.175 6.540) 8.976 4.366 ( -1.589 2.894 2.105) 3.916 4.406 ( -4.992 3.390 -0.388) 6.046 4.730 ( -2.586 4.807 -3.645) 6.564 4.856 ( 0.843 3.244 1.740) 3.777 5.213 ( -2.185 -1.902 -3.249) 4.353 5.341 ( 0.473 2.876 3.203) 4.331 5.464 ( -0.976 -3.845 0.779) 4.043 5.546 ( -1.949 -5.865 -2.420) 6.637 5.628 ( 0.739 -4.428 5.786) 7.323 5.828 ( -5.443 -2.279 -1.030) 5.990 6.610 ( 8.573 10.568 -0.898) 13.637 6.765 ( -4.379 11.395 2.388) 12.439 7.096 ( 4.662 9.024 -0.383) 10.164 7.261 ( 7.467 7.177 -2.484) 10.651 7.396 ( 0.671 -2.058 -2.411) 3.240 7.562 ( 1.495 -0.913 -0.774) 1.915 8.149 ( -0.471 3.661 2.161) 4.277 8.322 ( 1.927 0.674 0.300) 2.064 8.958 ( 3.343 1.724 2.233) 4.374 8.989 ( -0.356 0.103 0.601) 0.706 9.394 ( -6.537 -5.765 2.471) 9.060 9.450 ( 0.264 -2.524 0.480) 2.583 9.623 ( -5.612 -0.786 -3.950) 6.908 9.799 ( -0.755 1.651 -3.317) 3.781 10.074 ( -3.170 -2.612 5.680) 7.010 10.182 ( -4.324 -5.017 -2.412) 7.048 11.503 ( 4.215 1.238 2.587) 5.098 11.574 ( 5.622 1.471 -0.392) 5.825 11.758 ( 6.350 -0.096 -1.307) 6.484 11.808 ( 6.251 -1.722 -1.630) 6.686 14.235 ( -0.257 6.806 -1.087) 6.897 14.369 ( -3.214 3.310 2.352) 5.178 14.786 ( -11.478 15.647 -0.768) 19.421 14.987 ( -12.899 12.212 0.325) 17.766 15.246 ( 9.495 -7.785 -1.537) 12.375 15.557 ( 9.870 -11.870 1.667) 15.527 15.717 ( 2.065 -5.817 1.698) 6.401 15.995 ( -5.048 -2.698 -2.302) 6.170 18.231 ( 2.298 5.571 1.160) 6.137 18.478 ( 1.958 0.624 -2.681) 3.378 18.954 ( -2.046 0.932 0.414) 2.286 18.985 ( -1.132 -0.709 0.509) 1.430 ======================= Grid point 123 (55/160) ======================= q-point: ( 0.40 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -7.983 5.367 1.996) 9.824 1.956 ( -4.180 2.202 1.023) 4.834 2.104 ( 4.923 3.000 -4.503) 7.316 2.187 ( 5.095 9.915 2.858) 11.508 2.374 ( -0.477 -1.651 -3.941) 4.299 2.448 ( -2.873 0.100 1.325) 3.166 2.479 ( 3.623 -6.104 -0.170) 7.101 2.582 ( 4.148 -4.954 1.445) 6.621 2.678 ( -8.113 3.345 0.522) 8.791 2.748 ( 4.537 -0.108 -4.323) 6.267 3.119 ( -5.706 1.640 3.197) 6.743 3.210 ( -5.011 -0.632 2.122) 5.479 3.475 ( 3.564 -13.859 -4.226) 14.921 3.623 ( 4.035 -9.427 1.559) 10.372 3.696 ( 2.108 1.573 -6.096) 6.639 3.954 ( -4.785 -16.767 -2.623) 17.633 4.000 ( 4.556 -1.110 -6.786) 8.248 4.243 ( -11.264 -0.760 2.151) 11.493 4.326 ( -0.932 -3.826 4.928) 6.308 4.330 ( -3.395 6.600 1.568) 7.586 4.663 ( -3.342 3.397 -0.840) 4.839 4.934 ( 7.380 5.244 -3.649) 9.761 5.170 ( -1.542 2.145 2.243) 3.466 5.329 ( -4.388 -6.323 -0.116) 7.697 5.420 ( -1.102 6.451 1.138) 6.642 5.562 ( 2.539 -2.268 0.765) 3.489 5.681 ( -3.032 2.023 1.548) 3.960 5.753 ( -1.376 -3.118 -0.417) 3.433 6.654 ( 1.201 12.727 -2.932) 13.115 6.753 ( -1.386 10.370 3.721) 11.104 7.189 ( 3.441 5.348 0.190) 6.362 7.259 ( -0.752 8.297 -2.363) 8.660 7.408 ( 5.682 2.589 -5.742) 8.482 7.623 ( 2.214 1.222 5.165) 5.751 8.158 ( -0.583 3.154 -0.103) 3.209 8.360 ( 1.946 -2.970 -0.095) 3.552 8.978 ( 2.996 -2.770 -1.295) 4.281 9.077 ( 1.262 -2.088 4.909) 5.482 9.299 ( -5.215 -5.781 0.562) 7.805 9.364 ( -6.939 -4.033 -0.841) 8.070 9.597 ( 4.706 2.915 -3.394) 6.493 9.755 ( -1.594 2.846 -1.635) 3.649 10.054 ( -4.870 -2.440 2.871) 6.157 10.126 ( -0.197 -4.209 -1.176) 4.375 11.542 ( 2.089 1.121 -0.834) 2.513 11.689 ( 3.329 0.379 3.598) 4.917 11.822 ( 3.015 -0.147 -1.663) 3.447 11.889 ( 3.805 -1.787 0.567) 4.242 14.265 ( 0.236 8.852 5.615) 10.485 14.377 ( -1.529 6.094 5.381) 8.272 14.610 ( -7.223 16.827 -0.833) 18.330 14.781 ( -9.877 15.469 0.178) 18.354 15.410 ( 9.954 -7.671 -1.655) 12.675 15.709 ( 5.685 -10.132 0.103) 11.618 15.749 ( 1.078 -5.854 0.213) 5.957 15.852 ( -4.241 -3.456 -7.973) 9.670 18.305 ( 3.769 2.725 2.575) 5.316 18.438 ( -3.539 0.485 -1.031) 3.718 18.944 ( 0.457 1.621 -0.087) 1.686 18.967 ( -1.175 0.709 -0.365) 1.420 ======================= Grid point 124 (56/160) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -2.623 3.287 0.929) 4.307 1.933 ( 0.734 6.067 0.563) 6.137 2.124 ( 0.966 -0.479 -5.439) 5.545 2.267 ( -3.245 2.203 -3.061) 4.976 2.300 ( 2.189 3.174 -0.033) 3.856 2.441 ( 2.603 1.113 6.581) 7.164 2.485 ( 0.031 1.970 -1.291) 2.356 2.654 ( 0.770 -1.035 5.658) 5.803 2.723 ( -0.190 -1.700 5.494) 5.754 2.771 ( 6.264 -1.142 -7.911) 10.155 3.049 ( -7.540 2.695 -1.587) 8.163 3.156 ( 2.319 -1.746 0.387) 2.929 3.506 ( 5.781 -13.038 -3.696) 14.733 3.575 ( -7.779 -13.937 -6.056) 17.072 3.682 ( 2.957 -3.066 -3.882) 5.764 3.894 ( 5.116 -14.078 -5.228) 15.865 4.061 ( -3.653 -1.069 3.137) 4.933 4.107 ( 1.761 -3.952 2.068) 4.795 4.301 ( -5.882 4.443 5.988) 9.497 4.385 ( 0.040 0.331 3.029) 3.047 4.659 ( 6.089 0.194 -0.087) 6.093 4.939 ( -0.975 7.231 -7.362) 10.365 5.118 ( 0.396 0.772 -3.815) 3.912 5.340 ( -0.944 1.853 4.719) 5.156 5.403 ( -1.907 -1.701 -1.023) 2.752 5.588 ( -1.079 0.374 -1.617) 1.979 5.630 ( -0.119 2.887 0.735) 2.981 5.741 ( -0.169 -2.718 0.217) 2.732 6.643 ( 0.824 11.900 -0.476) 11.938 6.790 ( -0.413 10.755 4.077) 11.509 7.125 ( -2.831 6.881 -4.850) 8.882 7.297 ( 3.860 7.415 -3.357) 9.009 7.427 ( 0.626 2.053 0.806) 2.293 7.721 ( 0.617 1.076 5.732) 5.865 8.121 ( -1.062 1.112 -2.880) 3.264 8.370 ( 0.587 -0.256 -1.562) 1.689 9.004 ( -1.345 -4.047 0.654) 4.314 9.091 ( -5.255 -3.460 2.781) 6.879 9.277 ( -0.227 -4.245 1.422) 4.483 9.308 ( 4.012 -3.064 0.093) 5.049 9.637 ( 3.893 4.284 -2.958) 6.501 9.704 ( -0.948 1.610 -2.842) 3.401 10.000 ( -3.323 -2.365 0.599) 4.123 10.127 ( 1.386 -3.976 -0.673) 4.264 11.573 ( 0.477 0.382 1.454) 1.578 11.744 ( -1.925 -0.300 3.614) 4.106 11.826 ( 0.843 0.692 -2.244) 2.495 11.941 ( 0.761 -1.336 1.447) 2.112 14.357 ( -1.338 8.220 10.738) 13.589 14.415 ( -3.504 6.962 7.197) 10.608 14.555 ( 1.634 17.355 0.369) 17.436 14.695 ( 0.099 15.411 0.639) 15.425 15.499 ( 2.712 -6.268 -3.028) 7.471 15.671 ( -2.065 -1.422 -11.133) 11.411 15.704 ( -3.804 -10.536 -0.557) 11.215 15.821 ( 5.988 -5.435 -2.660) 8.513 18.339 ( -4.215 0.697 0.549) 4.307 18.434 ( 4.646 0.426 2.737) 5.409 18.937 ( -1.495 1.913 -0.892) 2.586 18.955 ( 0.899 1.435 -0.424) 1.745 ======================= Grid point 125 (57/160) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -1.187 1.405 2.110) 2.799 1.913 ( -1.747 3.979 -3.749) 5.739 1.971 ( -7.174 2.286 -6.266) 9.795 2.191 ( -1.724 -1.599 -0.468) 2.397 2.355 ( 0.064 4.232 4.088) 5.884 2.553 ( 9.605 -3.994 -2.840) 10.783 2.593 ( 6.628 0.879 0.827) 6.737 2.734 ( 0.082 1.167 -3.546) 3.734 2.764 ( 3.938 3.352 -1.590) 5.410 2.803 ( 8.226 0.811 8.365) 11.760 2.930 ( -4.951 2.079 2.499) 5.923 3.184 ( 0.704 -7.204 -6.180) 9.518 3.365 ( -2.318 -9.897 -9.667) 14.028 3.607 ( 2.343 -9.889 6.342) 11.979 3.690 ( 3.386 -4.434 -3.484) 6.577 3.795 ( -11.528 3.874 -7.557) 14.318 4.027 ( 4.709 -10.768 -0.565) 11.766 4.249 ( -0.332 4.286 3.227) 5.375 4.304 ( 1.408 3.797 6.734) 7.857 4.418 ( 2.470 -6.429 2.767) 7.422 4.777 ( -1.486 5.440 -3.279) 6.523 4.841 ( 3.666 0.154 2.016) 4.186 5.150 ( 6.447 -2.968 -5.976) 9.278 5.224 ( -2.395 0.632 -7.116) 7.535 5.462 ( 4.935 0.047 2.858) 5.703 5.569 ( -4.302 -3.123 2.940) 6.075 5.610 ( -0.307 2.582 -0.355) 2.625 5.783 ( 3.397 -3.190 0.813) 4.730 6.674 ( 0.932 11.746 1.879) 11.932 6.772 ( -6.876 7.967 0.583) 10.540 7.063 ( 1.938 10.659 -1.633) 10.956 7.264 ( 0.736 6.646 -7.436) 10.000 7.457 ( -1.961 -0.798 4.876) 5.316 7.735 ( -3.964 -1.945 0.958) 4.518 8.094 ( 0.787 1.277 -0.513) 1.586 8.368 ( 1.242 4.336 -0.569) 4.546 8.923 ( -6.464 -2.606 -0.383) 6.980 9.023 ( -5.603 0.958 1.056) 5.782 9.320 ( 2.560 -3.122 1.960) 4.488 9.431 ( 6.655 -5.784 1.197) 8.898 9.604 ( -1.315 2.886 -3.183) 4.494 9.725 ( 6.509 2.897 -3.353) 7.874 9.978 ( 0.282 -2.253 0.853) 2.426 10.159 ( 3.147 -4.975 -0.156) 5.888 11.542 ( -6.552 0.831 -0.045) 6.605 11.732 ( -4.141 -1.043 4.226) 6.008 11.812 ( -0.109 0.589 -1.110) 1.262 11.945 ( -2.341 -0.927 1.430) 2.896 14.436 ( -2.520 8.459 8.100) 11.980 14.465 ( -1.720 4.771 11.231) 12.323 14.663 ( 8.421 17.139 2.874) 19.311 14.801 ( 8.238 13.083 3.553) 15.864 15.394 ( -5.981 -6.754 -8.192) 12.186 15.548 ( -1.023 -1.389 -6.620) 6.841 15.597 ( -4.198 -9.302 -5.992) 11.834 15.875 ( 4.114 -5.563 -3.156) 7.604 18.287 ( -3.074 2.934 2.103) 4.741 18.547 ( 4.505 -1.276 1.778) 5.009 18.901 ( -1.160 1.955 -0.996) 2.481 18.960 ( 0.448 0.828 -0.570) 1.101 ======================= Grid point 126 (58/160) ======================= q-point: (-0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -9.411 9.048 -7.735) 15.175 1.681 ( -14.957 8.248 -3.446) 17.425 2.010 ( 3.962 -1.428 7.526) 8.624 2.217 ( 5.081 -6.942 -0.107) 8.604 2.421 ( 3.320 1.061 1.800) 3.922 2.604 ( 6.162 -2.236 -9.188) 11.286 2.660 ( 3.186 -1.662 -2.781) 4.544 2.733 ( 0.560 -0.104 -1.216) 1.343 2.828 ( 3.900 4.142 2.760) 6.324 2.942 ( 3.649 2.060 -0.229) 4.196 3.065 ( -1.624 -4.459 -3.012) 5.621 3.124 ( 13.104 2.668 4.646) 14.157 3.288 ( 0.089 -2.709 -6.418) 6.967 3.374 ( -15.824 15.628 -12.860) 25.691 3.662 ( -1.409 -9.532 3.331) 10.195 3.760 ( 3.427 -7.846 1.749) 8.738 4.174 ( -8.360 7.875 3.076) 11.890 4.205 ( 12.853 -6.983 -0.606) 14.640 4.433 ( 3.163 -2.759 6.805) 7.996 4.515 ( 0.921 -7.727 -0.491) 7.797 4.653 ( -0.863 5.251 -5.200) 7.440 4.894 ( 0.191 3.085 1.644) 3.501 5.166 ( 5.745 -6.482 -1.011) 8.720 5.263 ( 5.512 -6.000 -1.817) 8.348 5.457 ( -3.732 3.591 -2.569) 5.781 5.603 ( -2.656 -4.279 3.066) 5.896 5.668 ( 8.780 -1.374 3.587) 9.584 5.855 ( 5.283 -4.490 -0.644) 6.963 6.543 ( -13.012 11.216 -3.587) 17.549 6.747 ( 0.890 8.569 2.940) 9.104 7.130 ( 3.497 11.828 2.173) 12.524 7.178 ( -0.944 6.069 -6.402) 8.872 7.432 ( -6.260 -4.178 1.665) 7.708 7.647 ( -4.963 -1.379 -1.136) 5.275 8.124 ( 1.770 -2.035 1.428) 3.052 8.399 ( 0.740 4.430 2.208) 5.005 8.825 ( -2.716 3.770 -1.864) 5.006 8.952 ( -2.374 3.992 0.442) 4.665 9.371 ( -2.047 1.503 2.310) 3.433 9.481 ( 1.823 -3.705 0.648) 4.180 9.629 ( 7.204 -2.752 -3.620) 8.519 9.786 ( 5.303 2.086 -4.030) 6.979 10.049 ( 5.161 -2.102 4.010) 6.865 10.231 ( 5.250 -6.491 0.017) 8.348 11.365 ( -11.835 3.076 -2.076) 12.403 11.659 ( -10.457 -2.971 2.756) 11.215 11.816 ( 0.443 -0.409 1.058) 1.218 11.897 ( -4.464 -0.570 0.507) 4.529 14.509 ( 1.153 7.178 6.996) 10.089 14.613 ( 1.212 2.238 14.728) 14.947 14.870 ( 8.056 13.546 6.331) 16.985 15.010 ( 12.735 10.261 0.621) 16.366 15.179 ( -8.441 -7.575 -5.916) 12.792 15.428 ( -2.457 -6.434 -13.273) 14.954 15.446 ( -3.155 -3.876 -3.739) 6.241 15.882 ( 2.033 -4.257 -4.162) 6.291 18.285 ( -1.033 5.535 2.957) 6.360 18.599 ( -0.528 -0.926 0.706) 1.278 18.889 ( 1.436 0.005 -0.955) 1.725 18.960 ( 0.469 0.252 -0.428) 0.683 ======================= Grid point 127 (59/160) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -6.389 19.793 -2.431) 20.941 1.415 ( -13.746 15.928 1.352) 21.083 2.171 ( 4.621 -7.536 6.790) 11.147 2.324 ( 4.051 -7.722 1.328) 8.821 2.446 ( 1.338 7.355 -1.906) 7.715 2.601 ( 4.814 -2.073 -4.097) 6.653 2.699 ( 1.514 -5.083 -1.768) 5.591 2.727 ( -15.253 25.461 0.480) 29.685 2.809 ( 1.449 -8.463 -2.994) 9.093 2.878 ( -1.680 3.203 -11.214) 11.783 3.012 ( 5.527 0.928 -1.649) 5.842 3.115 ( 3.878 2.620 0.578) 4.716 3.328 ( 9.631 2.697 -3.222) 10.507 3.377 ( 3.024 3.185 3.568) 5.659 3.697 ( 0.440 -8.429 1.394) 8.555 3.809 ( 3.952 -10.282 -5.613) 12.363 4.004 ( -9.028 7.221 -0.826) 11.590 4.351 ( -2.435 1.316 -7.594) 8.082 4.419 ( 6.463 -3.790 6.112) 9.669 4.621 ( 4.027 -12.140 9.710) 16.059 4.777 ( 9.057 3.086 4.093) 10.407 4.906 ( -1.823 5.060 1.376) 5.552 5.210 ( -2.405 -7.829 -1.698) 8.364 5.290 ( -0.324 -8.419 0.602) 8.446 5.379 ( 0.975 2.691 -7.661) 8.178 5.631 ( 3.212 -2.468 5.059) 6.481 5.821 ( 4.457 -2.982 2.503) 5.918 5.953 ( 7.701 -3.563 -1.952) 8.707 6.287 ( -13.603 10.773 0.573) 17.362 6.777 ( -0.077 6.048 -1.779) 6.305 7.070 ( -5.032 7.320 -3.122) 9.415 7.160 ( -4.657 12.841 2.067) 13.814 7.354 ( 0.566 -6.097 -1.420) 6.286 7.555 ( -4.542 -1.389 -1.229) 4.906 8.185 ( 2.412 -5.292 2.883) 6.491 8.408 ( -3.310 -1.253 2.137) 4.135 8.850 ( 8.845 12.566 -1.136) 15.408 8.964 ( 3.198 5.134 -0.508) 6.070 9.310 ( -5.413 2.205 1.466) 6.026 9.561 ( 2.342 -0.588 3.879) 4.570 9.710 ( 8.532 -5.041 -3.937) 10.663 9.808 ( 2.394 2.021 -3.036) 4.363 10.225 ( 9.101 -2.893 3.660) 10.227 10.316 ( 4.789 -7.601 -0.733) 9.014 11.127 ( -13.349 5.477 -1.166) 14.476 11.438 ( -18.574 -3.794 1.184) 18.995 11.813 ( -4.045 0.799 -0.652) 4.174 11.834 ( -0.650 -2.492 0.365) 2.601 14.639 ( 4.684 4.175 6.292) 8.886 14.805 ( -0.222 -1.666 12.222) 12.337 14.957 ( -3.189 -0.380 -3.275) 4.588 15.017 ( -7.119 -8.039 5.222) 11.941 15.202 ( -0.332 -3.335 -12.378) 12.824 15.243 ( 7.171 2.829 -1.856) 7.930 15.449 ( 10.875 5.812 -0.760) 12.354 15.873 ( 3.985 0.862 -4.227) 5.873 18.304 ( -1.030 6.952 2.388) 7.423 18.549 ( -4.639 -0.717 -1.097) 4.820 18.918 ( 2.363 -2.194 -0.563) 3.273 18.973 ( 1.422 0.213 0.058) 1.439 ======================= Grid point 128 (60/160) ======================= q-point: (-0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -8.108 21.173 9.868) 24.727 1.319 ( -1.025 26.502 7.068) 27.448 2.291 ( 2.201 -5.892 -0.867) 6.349 2.301 ( -6.722 13.725 2.417) 15.473 2.340 ( -9.989 19.412 -7.078) 22.950 2.528 ( 3.920 2.484 0.992) 4.745 2.599 ( 0.512 -7.813 -1.582) 7.988 2.751 ( 3.202 0.134 3.139) 4.486 2.865 ( 5.027 -6.935 0.077) 8.566 2.955 ( 10.453 -1.061 3.615) 11.111 3.100 ( 0.114 1.431 -8.195) 8.320 3.126 ( 2.577 -0.453 4.487) 5.194 3.396 ( 1.424 -1.016 2.392) 2.963 3.498 ( 6.604 7.033 1.158) 9.717 3.585 ( -4.798 -8.375 -7.084) 11.973 3.809 ( 2.194 -13.795 -0.016) 13.968 3.986 ( 0.999 5.038 2.414) 5.675 4.271 ( -1.453 7.075 -1.986) 7.490 4.592 ( 5.894 -3.516 5.600) 8.858 4.739 ( 0.150 -6.104 3.747) 7.164 4.820 ( -7.402 0.323 -1.625) 7.585 4.948 ( 3.535 3.210 1.268) 4.941 5.054 ( -10.489 -3.932 -1.440) 11.294 5.325 ( 3.376 -2.569 0.028) 4.243 5.357 ( 5.953 -1.072 -1.906) 6.342 5.740 ( 0.661 -4.176 1.658) 4.542 5.875 ( 0.068 -0.604 -2.665) 2.734 6.095 ( 12.349 -0.446 2.902) 12.693 6.162 ( -4.983 3.583 6.276) 8.778 6.584 ( -14.326 -0.774 -9.330) 17.113 7.015 ( -0.295 12.459 1.809) 12.593 7.099 ( -3.154 14.664 0.120) 15.000 7.381 ( 2.780 -7.734 -1.789) 8.411 7.481 ( -2.661 -3.331 0.223) 4.269 8.255 ( 1.524 -6.154 1.239) 6.460 8.368 ( -3.377 -2.320 3.340) 5.286 8.986 ( 10.505 12.365 -13.208) 20.922 9.035 ( 3.479 1.739 3.053) 4.944 9.291 ( 1.730 2.554 3.873) 4.951 9.658 ( 3.539 1.449 6.678) 7.695 9.786 ( -2.548 -0.099 -1.327) 2.874 9.818 ( 7.531 -3.875 -3.473) 9.154 10.349 ( 4.817 -7.102 -4.775) 9.821 10.411 ( 5.546 -5.226 2.932) 8.165 10.930 ( -10.239 7.877 3.848) 13.479 11.102 ( -21.619 1.418 3.956) 22.024 11.737 ( -2.055 0.968 -2.719) 3.543 11.817 ( -0.678 -2.812 -2.065) 3.554 14.758 ( 0.765 -4.953 -3.933) 6.371 14.794 ( -1.574 -9.703 -0.199) 9.832 14.888 ( -2.941 -2.106 -6.536) 7.470 14.896 ( -4.075 -0.784 -1.510) 4.416 15.107 ( -1.303 -3.439 3.668) 5.194 15.331 ( -2.350 -5.277 9.362) 11.001 15.746 ( 18.739 9.036 -0.457) 20.809 15.944 ( 6.739 6.762 0.146) 9.548 18.296 ( -1.932 5.871 0.700) 6.220 18.428 ( -4.844 0.057 -5.428) 7.275 18.951 ( 1.769 -2.452 0.456) 3.058 19.002 ( 1.188 0.083 0.679) 1.370 ======================= Grid point 129 (61/160) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -2.911 15.328 2.340) 15.777 1.848 ( -4.006 19.869 3.622) 20.590 2.049 ( -4.506 -4.515 -7.977) 10.214 2.255 ( 0.756 -3.725 4.776) 6.104 2.474 ( 6.613 -7.194 2.262) 10.030 2.565 ( -1.411 -3.679 -5.034) 6.393 2.639 ( 2.362 -2.063 -5.073) 5.964 2.774 ( -1.202 -6.581 5.822) 8.868 2.795 ( 2.838 -1.349 -0.867) 3.260 2.962 ( 1.570 -3.180 -13.699) 14.151 3.097 ( 0.559 -2.290 1.657) 2.881 3.240 ( 1.128 2.491 2.183) 3.499 3.456 ( 1.497 10.184 9.022) 13.687 3.557 ( 2.613 0.942 11.857) 12.178 3.708 ( 0.091 6.037 9.019) 10.853 3.862 ( 8.549 11.287 3.731) 14.642 4.103 ( -9.569 5.503 8.928) 14.197 4.418 ( -1.566 1.864 1.076) 2.662 4.543 ( 6.121 -4.056 -0.286) 7.348 4.679 ( -3.743 -5.397 -1.774) 6.803 4.763 ( -1.713 2.387 -0.837) 3.055 4.865 ( -3.599 -0.763 -0.994) 3.811 5.036 ( -2.546 3.592 0.382) 4.419 5.307 ( 1.709 -2.208 -1.346) 3.099 5.378 ( -0.478 -5.997 -3.274) 6.849 5.548 ( -0.830 -9.666 -2.422) 9.999 5.978 ( 4.839 8.984 -0.208) 10.207 6.138 ( -6.112 -0.570 2.731) 6.719 6.175 ( -12.129 -0.449 -7.210) 14.117 6.365 ( 18.383 -5.964 0.777) 19.342 7.177 ( -1.044 0.372 -1.699) 2.028 7.239 ( 0.327 -5.703 -0.177) 5.716 7.306 ( 0.576 11.492 -3.115) 11.921 7.494 ( -0.768 3.410 1.533) 3.817 8.155 ( -2.104 -0.554 3.007) 3.711 8.339 ( -0.961 -5.046 8.715) 10.116 9.053 ( -1.563 5.318 -2.627) 6.134 9.182 ( 3.184 2.121 -0.528) 3.863 9.449 ( 5.344 4.567 -1.955) 7.297 9.617 ( -8.791 -3.182 3.181) 9.876 9.788 ( 2.090 -0.778 -0.434) 2.273 9.855 ( 2.150 3.959 -9.851) 10.832 10.191 ( -0.936 -7.029 -0.870) 7.145 10.312 ( -0.083 -7.918 -2.201) 8.219 11.081 ( -1.390 6.383 7.325) 9.815 11.109 ( -0.344 5.459 7.956) 9.655 11.700 ( 1.079 -0.037 -3.501) 3.664 11.724 ( 0.714 -1.853 -3.524) 4.045 14.514 ( 0.425 -6.438 -3.027) 7.127 14.538 ( -1.174 -7.790 -2.614) 8.300 14.733 ( -3.261 -0.178 -8.324) 8.942 14.778 ( -2.511 -2.104 -6.042) 6.872 15.216 ( 3.254 2.487 6.924) 8.045 15.347 ( 0.690 -3.424 8.781) 9.450 16.062 ( 3.192 3.686 1.141) 5.008 16.091 ( -1.511 2.297 1.072) 2.951 18.336 ( -0.791 3.923 -3.299) 5.187 18.376 ( 0.934 1.708 -3.842) 4.307 18.946 ( 0.119 -0.934 1.913) 2.132 19.001 ( -0.070 -1.984 1.190) 2.314 ======================= Grid point 130 (62/160) ======================= q-point: ( 0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -1.003 9.684 1.062) 9.794 1.841 ( -4.192 8.334 1.051) 9.388 1.925 ( 0.176 3.464 0.314) 3.483 2.269 ( -2.671 -1.659 1.327) 3.413 2.493 ( 4.354 1.076 -8.124) 9.280 2.593 ( -2.604 -1.864 -1.852) 3.700 2.640 ( 2.145 -6.741 3.740) 8.002 2.751 ( -2.104 -7.837 -5.160) 9.616 2.794 ( -1.485 -8.131 3.659) 9.039 2.871 ( 5.593 -7.893 -11.926) 15.356 3.193 ( 4.119 0.063 2.715) 4.934 3.278 ( -0.942 4.856 3.660) 6.153 3.532 ( -4.416 10.707 8.342) 14.273 3.697 ( -3.504 -1.391 7.984) 8.830 3.826 ( -1.553 11.177 13.625) 17.692 3.995 ( -11.612 9.340 6.860) 16.405 4.140 ( 5.732 6.478 10.965) 13.967 4.325 ( -6.996 6.759 -0.745) 9.756 4.446 ( -9.218 -4.784 -4.556) 11.341 4.644 ( 3.285 -3.062 2.205) 5.003 4.772 ( 3.667 3.200 -5.797) 7.570 4.873 ( 0.592 3.844 -0.071) 3.889 5.008 ( 0.693 -7.422 2.998) 8.035 5.223 ( -4.711 -7.233 -0.426) 8.643 5.378 ( 2.402 -5.654 -2.885) 6.787 5.515 ( 0.843 -6.330 -3.330) 7.202 5.800 ( -11.611 3.045 -6.102) 13.466 5.992 ( -10.031 -6.189 0.635) 11.804 6.305 ( 17.436 10.932 0.461) 20.585 6.687 ( 18.107 -6.841 -0.903) 19.377 7.121 ( -1.600 4.564 -2.409) 5.403 7.241 ( 1.221 -4.806 -0.720) 5.011 7.320 ( 2.140 8.273 0.082) 8.545 7.496 ( 0.844 -1.248 -1.467) 2.103 8.177 ( -1.830 4.016 6.605) 7.944 8.408 ( -2.822 -2.982 7.120) 8.219 8.990 ( -1.301 10.268 -2.641) 10.682 9.224 ( 2.146 3.128 -1.983) 4.280 9.428 ( -6.333 -2.250 -3.152) 7.423 9.500 ( -7.528 0.667 5.992) 9.645 9.734 ( 2.939 1.900 -8.939) 9.600 9.877 ( 3.211 -3.560 0.822) 4.864 10.086 ( -8.134 -3.343 -2.234) 9.074 10.262 ( -2.941 -8.605 -2.119) 9.338 11.207 ( 4.828 4.651 7.740) 10.240 11.277 ( 7.434 1.572 7.058) 10.371 11.694 ( 3.777 0.417 -4.551) 5.929 11.708 ( 3.043 0.133 -4.546) 5.472 14.456 ( -0.576 -0.363 -7.217) 7.249 14.528 ( 3.262 -2.500 -7.197) 8.288 14.622 ( 1.264 -3.880 -0.717) 4.143 14.787 ( 7.593 -9.660 -0.249) 12.289 15.310 ( -1.239 4.498 4.636) 6.578 15.458 ( 2.803 -2.900 5.483) 6.807 15.935 ( -14.469 6.986 0.447) 16.073 16.097 ( -3.822 -0.129 2.538) 4.590 18.315 ( 2.831 4.866 -3.540) 6.650 18.383 ( 5.209 0.440 -4.130) 6.662 18.958 ( -1.564 -0.987 2.499) 3.109 19.004 ( -1.288 -1.739 1.224) 2.486 ======================= Grid point 131 (63/160) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 6.684 3.372 7.835) 10.837 1.786 ( -2.634 0.324 2.932) 3.955 2.013 ( 4.869 8.462 4.138) 10.604 2.231 ( -2.539 0.277 -0.711) 2.651 2.449 ( 1.063 -3.651 -7.652) 8.544 2.513 ( -2.128 4.570 -3.327) 6.040 2.592 ( -4.432 -5.796 -3.580) 8.127 2.662 ( -0.415 -3.705 -6.994) 7.926 2.824 ( 0.548 -6.959 -6.883) 9.803 2.901 ( 4.287 -7.331 6.209) 10.520 3.179 ( -6.799 1.929 -4.814) 8.551 3.242 ( -2.959 -2.955 1.120) 4.329 3.514 ( -9.847 5.527 2.469) 11.559 3.639 ( -8.893 4.309 8.281) 12.893 3.826 ( -9.848 4.598 2.234) 11.096 3.979 ( -2.201 6.123 9.365) 11.403 4.102 ( -7.801 4.618 0.468) 9.077 4.239 ( -6.653 -7.067 0.380) 9.714 4.437 ( 1.278 6.021 5.792) 8.452 4.654 ( 0.905 8.300 -5.344) 9.912 4.829 ( -6.563 -3.735 9.006) 11.753 4.882 ( 6.049 6.340 -0.502) 8.778 5.064 ( 1.705 -9.070 0.349) 9.236 5.263 ( 6.524 -3.731 0.233) 7.519 5.352 ( -0.327 -5.700 4.966) 7.566 5.510 ( 2.489 -5.812 -6.850) 9.322 5.585 ( -5.540 3.894 -4.689) 8.236 5.837 ( -7.121 -6.552 0.102) 9.677 6.597 ( 15.245 9.862 0.301) 18.159 6.900 ( 7.656 -3.480 -2.144) 8.679 7.113 ( 6.267 5.522 -3.532) 9.069 7.275 ( 3.114 -3.196 0.490) 4.489 7.362 ( 2.347 6.769 0.360) 7.174 7.502 ( 1.630 -2.892 -0.185) 3.325 8.230 ( -2.313 5.980 7.215) 9.652 8.397 ( -4.055 1.120 1.522) 4.473 8.969 ( 0.029 8.296 1.004) 8.356 9.157 ( -5.347 5.447 -3.960) 8.599 9.328 ( -1.747 -6.798 -3.086) 7.667 9.417 ( -7.791 -5.012 4.262) 10.197 9.731 ( 3.385 4.948 -3.734) 7.063 9.885 ( -3.435 -1.784 -3.788) 5.416 9.972 ( -2.061 -2.375 4.621) 5.589 10.164 ( -5.414 -8.279 -2.081) 10.109 11.388 ( 6.389 2.849 6.082) 9.270 11.466 ( 6.743 -1.008 3.632) 7.725 11.717 ( 5.492 1.309 -5.482) 7.869 11.725 ( 5.158 0.319 -3.529) 6.258 14.383 ( 1.020 4.196 -4.981) 6.592 14.463 ( -1.143 2.144 -2.291) 3.339 14.762 ( 12.101 -6.197 -0.101) 13.596 14.972 ( 11.746 -13.521 1.942) 18.016 15.275 ( -6.090 9.696 0.631) 11.467 15.547 ( -0.094 -4.460 2.059) 4.913 15.671 ( -13.296 11.824 0.103) 17.793 16.023 ( -7.240 -4.360 1.700) 8.621 18.333 ( 2.676 5.626 -1.989) 6.539 18.436 ( 5.564 -0.760 -3.289) 6.508 18.959 ( -1.591 -1.049 2.368) 3.040 18.986 ( -2.065 -1.140 0.683) 2.456 ======================= Grid point 132 (64/160) ======================= q-point: ( 0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -2.597 0.962 8.063) 8.526 1.974 ( 8.460 -3.613 7.821) 12.074 2.153 ( 0.917 8.794 0.343) 8.849 2.184 ( 4.989 4.533 2.529) 7.200 2.342 ( -4.511 1.088 -5.828) 7.450 2.474 ( -1.089 -4.863 -3.762) 6.244 2.493 ( 1.764 -2.743 -4.311) 5.406 2.579 ( 3.641 -3.036 -9.256) 10.400 2.685 ( -5.257 4.115 -7.479) 10.026 2.991 ( -8.559 1.881 2.390) 9.083 3.050 ( 2.691 -6.469 1.770) 7.227 3.159 ( -6.948 -2.666 1.480) 7.588 3.380 ( -2.742 -1.608 -1.534) 3.530 3.551 ( -13.785 3.212 5.998) 15.372 3.713 ( -5.910 -4.468 1.250) 7.514 3.899 ( -9.953 -5.971 -3.779) 12.207 4.026 ( -1.099 1.240 -1.978) 2.581 4.176 ( -5.094 -6.097 5.520) 9.674 4.487 ( -2.528 8.772 0.878) 9.171 4.592 ( -2.610 10.951 -1.248) 11.326 4.812 ( -1.003 0.961 -4.028) 4.261 4.869 ( -5.093 -0.703 7.324) 8.949 5.114 ( 3.548 -3.732 0.271) 5.156 5.334 ( -3.759 -7.282 -7.092) 10.837 5.432 ( 6.945 -0.039 0.865) 6.999 5.523 ( 4.006 -0.507 11.569) 12.253 5.548 ( 3.206 2.615 -4.232) 5.918 5.772 ( -2.342 -3.572 0.849) 4.355 6.793 ( 8.179 7.509 -0.897) 11.139 6.928 ( 0.684 3.642 -1.490) 3.994 7.214 ( 8.097 3.085 -3.585) 9.378 7.342 ( 6.192 -1.056 -3.563) 7.222 7.412 ( 3.288 5.169 0.304) 6.134 7.557 ( 1.650 -0.136 4.774) 5.053 8.248 ( -3.747 5.336 4.901) 8.157 8.340 ( -2.309 0.889 -0.942) 2.647 8.997 ( -0.983 1.796 3.285) 3.871 9.025 ( -2.865 3.791 -3.971) 6.192 9.245 ( -4.269 -6.649 -0.957) 7.960 9.353 ( -4.927 -7.111 0.660) 8.676 9.701 ( -0.500 7.133 -2.838) 7.693 9.843 ( 0.876 2.700 -0.472) 2.878 10.006 ( -2.330 -3.938 4.719) 6.573 10.054 ( -3.512 -7.333 -2.290) 8.447 11.533 ( 3.408 1.648 2.830) 4.726 11.586 ( 4.820 -0.285 1.934) 5.202 11.763 ( 6.422 0.551 -3.864) 7.515 11.787 ( 5.436 -0.552 -1.605) 5.694 14.383 ( 2.112 7.059 0.217) 7.372 14.455 ( 0.003 4.358 2.396) 4.973 14.958 ( 7.655 -2.578 0.486) 8.092 15.135 ( -3.030 0.558 0.768) 3.175 15.181 ( 2.793 2.061 -1.144) 3.655 15.412 ( -4.287 2.500 -0.689) 5.010 15.648 ( 1.886 -0.348 0.457) 1.972 15.908 ( -6.020 -5.985 -2.037) 8.730 18.353 ( 0.986 5.406 0.174) 5.498 18.470 ( 1.561 -1.145 -1.945) 2.744 18.960 ( -1.320 -0.254 0.960) 1.652 18.963 ( -0.350 -1.066 0.417) 1.197 ======================= Grid point 133 (65/160) ======================= q-point: ( 0.40 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -3.265 5.598 5.902) 8.765 1.995 ( -2.721 0.985 -0.807) 3.004 2.166 ( 1.356 3.025 -7.549) 8.245 2.280 ( 1.442 -3.146 -1.109) 3.634 2.343 ( 6.303 4.087 2.180) 7.822 2.398 ( -0.583 -2.189 -5.718) 6.150 2.509 ( 5.783 -1.267 3.517) 6.886 2.567 ( -1.145 9.467 -0.002) 9.536 2.653 ( 10.139 -4.577 -4.829) 12.127 2.827 ( -10.860 6.346 2.125) 12.757 3.071 ( -0.665 -8.521 -0.119) 8.548 3.163 ( -2.872 -3.669 4.728) 6.638 3.291 ( -6.027 -2.913 -0.735) 6.734 3.446 ( -4.267 -6.631 3.667) 8.696 3.592 ( -7.394 -13.608 -2.182) 15.640 3.666 ( -8.213 -6.859 -5.419) 11.995 4.005 ( 1.466 2.251 -1.540) 3.096 4.144 ( -5.402 -4.597 3.551) 7.933 4.409 ( -1.223 8.844 -4.283) 9.902 4.564 ( -0.486 12.581 0.970) 12.628 4.700 ( -3.841 -0.821 -3.215) 5.076 4.944 ( 1.391 -4.003 4.296) 6.034 5.183 ( 0.107 -0.596 2.129) 2.214 5.209 ( -0.147 -4.545 -2.816) 5.349 5.492 ( 1.355 2.082 -4.121) 4.811 5.588 ( 5.366 1.795 -1.349) 5.817 5.681 ( 1.470 -0.637 5.119) 5.364 5.738 ( -3.273 0.743 0.326) 3.372 6.863 ( 2.766 7.825 -2.576) 8.690 6.924 ( 0.374 5.652 0.502) 5.687 7.268 ( 2.600 2.886 -2.442) 4.589 7.387 ( 8.274 0.481 -9.567) 12.658 7.471 ( 0.526 6.196 3.379) 7.077 7.651 ( 1.370 0.507 5.618) 5.805 8.228 ( -4.109 3.442 2.157) 5.778 8.319 ( 0.557 -1.108 1.499) 1.946 8.948 ( -0.600 0.094 -1.991) 2.081 9.030 ( -2.327 -2.439 4.109) 5.314 9.193 ( -1.469 -3.648 0.689) 3.992 9.262 ( -3.660 -5.396 -1.941) 6.803 9.696 ( 3.383 6.305 -2.714) 7.653 9.831 ( -2.560 4.389 0.097) 5.082 9.975 ( -2.647 -5.497 0.290) 6.109 10.029 ( -0.554 -4.916 0.519) 4.974 11.582 ( 1.204 2.620 0.817) 2.997 11.680 ( 2.197 -1.282 3.027) 3.954 11.824 ( 4.298 0.392 -2.195) 4.842 11.859 ( 3.977 -1.210 0.028) 4.157 14.445 ( 1.134 8.172 5.067) 9.682 14.505 ( -0.391 5.814 5.804) 8.224 14.930 ( -4.750 11.780 -1.390) 12.777 15.040 ( -7.595 7.326 0.255) 10.556 15.272 ( 9.765 -3.045 -1.675) 10.365 15.483 ( 5.367 -8.598 1.320) 10.222 15.673 ( 2.627 -2.611 -2.333) 4.377 15.776 ( -4.004 -4.378 -5.664) 8.203 18.374 ( 0.760 3.376 1.060) 3.619 18.444 ( -2.228 -0.087 -0.528) 2.292 18.956 ( 0.529 -0.079 -0.291) 0.609 18.965 ( -0.295 -0.548 0.305) 0.693 ======================= Grid point 134 (66/160) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -4.425 7.829 -1.534) 9.123 2.036 ( 2.060 0.700 0.145) 2.181 2.118 ( -0.354 1.522 -6.429) 6.616 2.220 ( 2.494 -3.831 -9.493) 10.536 2.333 ( 3.578 2.523 -2.391) 4.988 2.458 ( -3.132 0.766 6.908) 7.624 2.619 ( 4.725 6.587 2.347) 8.440 2.667 ( -3.824 -0.010 5.911) 7.040 2.707 ( 4.511 5.802 4.089) 8.410 2.775 ( 5.473 -1.030 -4.088) 6.909 3.052 ( -4.899 -9.576 0.646) 10.776 3.059 ( -4.894 -2.710 -1.798) 5.877 3.268 ( 3.502 -7.871 -0.919) 8.664 3.315 ( -7.444 -9.696 -3.554) 12.730 3.564 ( -0.605 -7.528 -0.414) 7.563 3.593 ( 6.276 -12.393 -0.148) 13.892 4.047 ( 4.165 1.371 1.542) 4.648 4.094 ( -5.458 0.108 3.102) 6.279 4.383 ( 0.728 6.487 -0.287) 6.534 4.577 ( 1.103 11.671 -1.241) 11.789 4.648 ( 1.017 -1.568 0.014) 1.869 4.988 ( -0.695 -2.847 1.901) 3.493 5.108 ( -0.859 -0.106 -5.062) 5.135 5.278 ( 1.679 -5.776 0.197) 6.018 5.431 ( -0.910 4.572 -4.416) 6.422 5.629 ( -0.001 0.474 -2.504) 2.548 5.678 ( -0.356 -0.108 -0.168) 0.408 5.705 ( -2.717 1.263 1.296) 3.264 6.849 ( 0.543 8.249 -2.316) 8.585 6.954 ( 0.557 4.588 1.040) 4.737 7.260 ( 1.259 5.978 -3.517) 7.049 7.395 ( 4.926 0.625 -8.367) 9.729 7.493 ( -2.640 5.436 3.429) 6.949 7.702 ( -1.751 -3.050 2.792) 4.491 8.188 ( -2.523 5.435 2.017) 6.323 8.371 ( 0.786 -0.677 3.616) 3.761 8.937 ( -0.981 -1.743 0.180) 2.008 9.020 ( -1.474 -3.549 2.103) 4.380 9.196 ( -0.449 -2.718 1.343) 3.065 9.239 ( 3.035 -3.475 -0.054) 4.614 9.736 ( 4.710 4.893 -2.467) 7.226 9.773 ( -3.261 4.990 -1.210) 6.082 9.934 ( -2.077 -3.962 -0.394) 4.490 10.026 ( 0.592 -5.680 -0.702) 5.754 11.606 ( -0.534 2.651 1.910) 3.311 11.721 ( -1.750 -1.968 3.074) 4.048 11.847 ( 1.295 1.322 -1.610) 2.453 11.911 ( 1.153 -1.557 1.073) 2.215 14.520 ( -1.806 7.350 8.095) 11.082 14.556 ( -3.413 6.283 8.018) 10.743 14.887 ( 1.812 12.737 -0.557) 12.877 14.963 ( -0.379 8.483 -0.402) 8.501 15.366 ( 2.080 -4.132 -1.975) 5.030 15.517 ( -2.863 -6.523 0.864) 7.176 15.633 ( -0.703 -2.278 -8.490) 8.819 15.720 ( 4.800 -4.694 -3.521) 7.581 18.375 ( -1.518 2.347 0.005) 2.795 18.440 ( 2.162 -0.214 1.225) 2.494 18.955 ( -1.014 0.188 -0.292) 1.072 18.962 ( 0.304 -0.265 -0.150) 0.430 ======================= Grid point 135 (67/160) ======================= q-point: (-0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.085 5.774 2.572) 6.322 1.940 ( -5.255 -0.989 -6.842) 8.683 2.047 ( 1.960 3.052 -8.704) 9.430 2.133 ( -1.057 -3.260 -6.453) 7.307 2.417 ( -0.957 2.455 3.238) 4.175 2.463 ( 0.176 -2.081 2.847) 3.531 2.602 ( -0.865 -0.380 -3.396) 3.525 2.742 ( 2.623 2.692 6.836) 7.801 2.843 ( 0.465 2.151 -0.249) 2.215 2.886 ( 11.163 3.278 3.559) 12.166 2.948 ( 0.449 -5.629 -3.821) 6.818 3.017 ( -0.743 -0.353 3.761) 3.850 3.234 ( 5.220 -4.177 -6.871) 9.587 3.408 ( 7.055 -8.987 3.591) 11.976 3.571 ( 2.060 -6.133 -1.783) 6.711 3.683 ( 8.646 -11.916 -4.950) 15.532 4.001 ( -8.499 5.816 0.899) 10.338 4.195 ( 5.234 -3.904 8.249) 10.521 4.393 ( -0.366 5.762 0.662) 5.812 4.556 ( -1.106 10.901 -1.549) 11.066 4.725 ( 2.974 -4.057 2.986) 5.849 4.957 ( -1.677 6.050 -3.151) 7.025 5.050 ( 0.705 -7.257 -6.810) 9.977 5.183 ( 0.656 -3.683 -10.512) 11.158 5.471 ( 2.564 1.550 5.490) 6.255 5.571 ( -4.369 1.920 2.508) 5.391 5.657 ( -2.606 1.240 -1.568) 3.285 5.702 ( 2.375 -4.184 -0.501) 4.837 6.852 ( 1.113 6.333 0.263) 6.435 6.918 ( -3.977 4.900 -2.950) 6.967 7.251 ( 1.925 7.142 -2.536) 7.819 7.360 ( 1.797 2.274 -6.903) 7.487 7.467 ( -5.356 2.370 3.894) 7.033 7.666 ( -4.112 -4.738 0.831) 6.328 8.176 ( -2.547 6.341 1.795) 7.065 8.409 ( -1.493 -1.243 3.306) 3.835 8.911 ( 0.321 2.302 -0.683) 2.423 9.050 ( 0.433 0.941 1.413) 1.752 9.229 ( 2.933 -4.345 2.147) 5.665 9.316 ( 3.810 -5.437 1.177) 6.743 9.704 ( -1.782 6.245 -2.462) 6.945 9.794 ( 4.856 3.945 -1.648) 6.470 9.916 ( 1.008 -3.685 0.167) 3.824 10.037 ( 1.728 -6.753 -0.670) 7.003 11.580 ( -5.552 2.673 0.946) 6.234 11.697 ( -5.076 -2.342 2.979) 6.334 11.838 ( -0.526 1.862 -0.789) 2.089 11.919 ( -1.832 -1.594 1.296) 2.752 14.577 ( -2.948 5.676 9.606) 11.541 14.589 ( -4.241 6.156 9.549) 12.127 14.959 ( 4.723 8.708 0.997) 9.957 15.015 ( 5.505 5.395 0.023) 7.708 15.284 ( -6.275 -1.451 -3.707) 7.431 15.438 ( -5.199 -2.884 -0.223) 5.950 15.537 ( 0.519 -0.540 -8.877) 8.909 15.756 ( 4.975 -6.372 -4.953) 9.481 18.370 ( 0.481 4.301 1.077) 4.459 18.507 ( 3.798 -2.524 0.604) 4.600 18.924 ( -1.993 0.675 -0.563) 2.178 18.959 ( -0.499 -0.657 -0.059) 0.827 ======================= Grid point 136 (68/160) ======================= q-point: (-0.30 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -3.391 8.783 -2.406) 9.718 1.857 ( -4.940 7.887 1.000) 9.360 1.957 ( -0.122 -2.764 -1.882) 3.347 2.099 ( 4.005 -4.087 -3.446) 6.680 2.407 ( 1.192 -2.309 -0.094) 2.600 2.488 ( 2.931 -5.673 -2.414) 6.826 2.616 ( 4.920 -2.462 -3.650) 6.603 2.743 ( -5.961 -3.423 -1.234) 6.984 2.839 ( 0.725 2.319 2.181) 3.265 2.973 ( 5.164 2.881 0.182) 5.916 3.127 ( 6.307 4.789 0.910) 7.971 3.189 ( 13.997 4.543 5.244) 15.623 3.275 ( 6.354 0.734 -3.051) 7.086 3.447 ( -4.148 -7.466 -1.657) 8.700 3.588 ( 2.727 -4.803 -4.095) 6.876 3.755 ( 3.168 6.668 -6.563) 9.878 3.943 ( 4.722 -6.299 4.906) 9.276 4.345 ( -0.336 -2.360 7.053) 7.445 4.365 ( -1.995 2.580 -1.736) 3.694 4.529 ( -2.464 4.849 -2.485) 5.980 4.682 ( 0.243 0.708 -4.448) 4.510 4.939 ( 2.434 1.270 1.577) 3.166 5.036 ( 2.739 -5.758 -1.211) 6.490 5.137 ( 2.704 -6.092 -6.055) 9.005 5.501 ( -4.166 1.338 4.450) 6.241 5.577 ( -2.390 0.356 -3.227) 4.032 5.654 ( 5.274 -0.082 5.317) 7.489 5.751 ( 4.387 -4.981 0.255) 6.642 6.752 ( -9.965 8.977 -3.384) 13.832 6.885 ( 1.239 4.187 -0.640) 4.413 7.237 ( -0.387 2.325 -3.295) 4.051 7.299 ( -2.040 -0.418 -3.137) 3.765 7.422 ( -4.575 5.421 3.859) 8.076 7.610 ( -3.714 -2.659 1.319) 4.755 8.137 ( -2.773 3.823 0.127) 4.724 8.387 ( -4.582 -4.636 1.936) 6.799 8.965 ( 6.540 8.847 -0.612) 11.019 9.049 ( -0.531 5.166 0.231) 5.198 9.332 ( 2.349 -4.813 1.302) 5.512 9.366 ( 3.488 -6.849 1.558) 7.843 9.677 ( 2.933 6.838 -3.792) 8.350 9.849 ( 3.298 3.677 -0.430) 4.958 9.991 ( 5.746 -3.660 2.604) 7.293 10.073 ( 3.105 -8.515 -0.113) 9.064 11.443 ( -10.166 4.297 -0.593) 11.053 11.603 ( -10.227 -2.983 2.038) 10.847 11.818 ( -1.097 0.917 -0.204) 1.444 11.882 ( -3.711 -1.153 0.457) 3.913 14.641 ( -2.292 5.606 9.461) 11.233 14.676 ( -1.206 3.672 12.768) 13.340 14.966 ( -7.800 -4.851 1.880) 9.376 15.042 ( -4.490 -7.240 -3.943) 9.388 15.185 ( 1.700 9.125 -0.415) 9.291 15.412 ( -1.296 -1.124 -11.152) 11.283 15.435 ( 7.464 8.452 -0.689) 11.297 15.784 ( 6.546 -5.611 -5.531) 10.243 18.409 ( 1.534 5.567 1.920) 6.085 18.558 ( 0.833 -2.672 0.329) 2.819 18.885 ( -1.150 0.228 -0.804) 1.421 18.949 ( -0.284 -1.345 -0.139) 1.382 ======================= Grid point 137 (69/160) ======================= q-point: (-0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 2.112 16.641 0.990) 16.803 1.731 ( -6.488 14.207 0.920) 15.645 2.018 ( 3.774 -5.323 2.923) 7.150 2.159 ( 2.673 -7.308 2.575) 8.197 2.446 ( 3.761 -6.033 -2.845) 7.658 2.549 ( 3.933 -2.307 1.022) 4.673 2.626 ( 0.564 -6.060 -3.750) 7.149 2.670 ( 2.100 -5.742 -0.552) 6.139 2.839 ( 2.284 5.119 -8.144) 9.887 3.074 ( 1.488 2.765 5.498) 6.331 3.169 ( -0.922 7.493 -3.731) 8.421 3.204 ( -5.247 4.527 -3.145) 7.610 3.360 ( -0.403 0.382 2.807) 2.862 3.499 ( 11.357 -2.965 -1.234) 11.802 3.577 ( 4.646 0.501 -5.227) 7.011 3.710 ( -1.419 13.683 -5.244) 14.722 4.102 ( -0.807 -5.208 5.084) 7.322 4.262 ( 3.063 -1.856 -0.043) 3.582 4.424 ( -0.064 -1.286 -0.477) 1.373 4.477 ( 4.400 -1.033 0.776) 4.586 4.797 ( 7.817 0.687 4.440) 9.016 4.973 ( -1.345 1.619 0.504) 2.164 5.076 ( -2.924 -5.503 1.738) 6.470 5.106 ( 4.510 -8.178 -1.778) 9.507 5.445 ( -3.086 2.455 -3.413) 5.216 5.564 ( 0.819 -3.858 2.593) 4.720 5.786 ( 6.098 -0.076 2.179) 6.476 5.876 ( 7.817 -3.612 1.677) 8.773 6.515 ( -13.729 11.110 -2.138) 17.790 6.826 ( -7.036 -1.551 -4.629) 8.564 7.172 ( -2.160 2.644 -0.437) 3.442 7.246 ( -1.152 -4.091 -0.936) 4.352 7.401 ( -2.048 9.370 1.234) 9.671 7.563 ( -4.179 1.538 1.265) 4.629 8.116 ( -0.365 -0.369 1.641) 1.721 8.321 ( -4.869 -6.315 1.330) 8.085 9.037 ( 0.316 5.843 1.745) 6.107 9.114 ( 10.602 8.299 -4.143) 14.087 9.306 ( -2.079 -2.218 0.413) 3.068 9.503 ( 5.834 -5.407 3.495) 8.688 9.698 ( 5.147 5.638 -4.417) 8.820 9.901 ( 2.730 5.892 0.311) 6.501 10.124 ( 6.271 -9.992 -3.631) 12.343 10.149 ( 4.957 -5.297 5.948) 9.381 11.251 ( -11.587 6.123 0.148) 13.106 11.402 ( -14.975 -1.033 0.966) 15.042 11.792 ( -1.603 -1.209 -0.596) 2.094 11.813 ( -3.675 -0.771 -0.981) 3.882 14.696 ( -4.607 0.844 5.340) 7.104 14.750 ( -7.555 -3.145 2.308) 8.503 14.872 ( -5.008 -3.963 11.380) 13.049 14.906 ( -4.179 -3.901 1.001) 5.804 15.183 ( -1.016 1.667 -5.958) 6.269 15.252 ( -1.229 -0.536 -8.479) 8.585 15.645 ( 16.135 9.784 -0.813) 18.888 15.876 ( 10.478 -1.153 -3.225) 11.024 18.440 ( -0.899 5.357 1.500) 5.635 18.528 ( -3.897 -0.973 -0.726) 4.082 18.879 ( 1.257 -0.757 -0.362) 1.511 18.955 ( 1.105 -1.977 0.092) 2.267 ======================= Grid point 138 (70/160) ======================= q-point: (-0.10 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -3.427 17.265 3.616) 17.969 1.823 ( 2.395 21.991 5.974) 22.914 2.112 ( 4.442 -7.376 -0.389) 8.619 2.223 ( -0.685 -4.552 2.432) 5.206 2.397 ( -0.088 -9.059 -4.312) 10.033 2.610 ( 2.205 -2.528 0.452) 3.384 2.677 ( 1.626 -8.030 -4.595) 9.393 2.697 ( 2.595 -2.601 1.754) 4.072 2.762 ( 1.732 5.412 -2.368) 6.156 3.062 ( 1.266 5.121 -0.548) 5.304 3.094 ( -0.172 -3.397 -9.941) 10.507 3.239 ( -0.658 2.815 4.864) 5.659 3.338 ( -1.033 1.080 2.200) 2.660 3.494 ( -3.425 -0.711 0.114) 3.500 3.632 ( 0.738 7.633 1.321) 7.782 3.716 ( 8.546 13.152 -0.895) 15.710 4.126 ( -4.742 4.165 8.466) 10.560 4.376 ( 3.074 -1.053 2.431) 4.058 4.447 ( 5.502 -5.677 -0.656) 7.933 4.588 ( 6.895 -6.219 0.076) 9.286 4.887 ( -5.608 2.151 0.939) 6.079 4.979 ( -2.938 0.665 0.017) 3.013 4.994 ( -0.575 -2.102 4.418) 4.926 5.249 ( 8.892 -3.229 0.431) 9.471 5.369 ( 0.143 0.517 -3.395) 3.437 5.589 ( -0.462 -8.287 -0.160) 8.302 5.903 ( 5.497 2.692 -1.523) 6.307 6.055 ( 12.353 -3.158 2.437) 12.981 6.276 ( -12.336 7.189 1.038) 14.316 6.542 ( -16.110 -3.701 -7.450) 18.131 7.179 ( 1.519 1.630 0.104) 2.231 7.231 ( 0.344 -4.325 -0.570) 4.376 7.365 ( -2.123 9.892 -2.031) 10.319 7.506 ( -3.714 5.046 1.892) 6.545 8.150 ( 0.111 -3.099 2.374) 3.906 8.281 ( -2.880 -5.734 4.686) 7.946 9.067 ( 1.071 2.779 0.784) 3.079 9.170 ( 2.046 2.555 -4.127) 5.268 9.355 ( 6.931 5.187 -0.454) 8.669 9.618 ( 2.298 -5.188 3.905) 6.888 9.743 ( 4.561 3.429 -2.530) 6.242 9.926 ( 1.477 6.904 -3.908) 8.070 10.168 ( 3.679 -9.544 -1.955) 10.414 10.285 ( 4.402 -7.054 1.533) 8.455 11.094 ( -8.440 7.235 3.769) 11.738 11.170 ( -13.357 3.513 3.219) 14.181 11.740 ( -1.779 -0.541 -2.317) 2.971 11.760 ( -1.005 -2.451 -1.927) 3.276 14.596 ( -6.940 -7.266 -0.391) 10.055 14.612 ( -6.081 -7.245 -1.365) 9.557 14.886 ( -2.170 0.541 -5.009) 5.486 14.897 ( -4.380 0.263 -0.112) 4.390 15.101 ( 1.657 1.862 0.803) 2.619 15.238 ( 0.250 -4.174 6.348) 7.601 15.902 ( 13.980 6.426 -0.632) 15.399 16.027 ( 8.023 1.364 0.113) 8.139 18.406 ( -3.805 4.127 -0.281) 5.621 18.437 ( -3.107 0.891 -3.177) 4.532 18.911 ( 1.816 -0.859 0.843) 2.179 18.981 ( 1.024 -2.141 0.726) 2.482 ======================= Grid point 139 (71/160) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -3.386 -9.018 -4.388) 10.585 1.905 ( -3.386 9.018 -4.388) 10.585 2.199 ( -5.256 -9.380 1.355) 10.837 2.199 ( -5.256 9.380 1.355) 10.837 2.372 ( 6.418 -3.351 3.878) 8.213 2.372 ( 6.418 3.351 3.878) 8.213 2.665 ( 0.302 -3.459 -2.559) 4.313 2.665 ( 0.302 3.459 -2.559) 4.313 2.850 ( 1.086 -5.682 -9.476) 11.102 2.850 ( 1.086 5.682 -9.476) 11.102 3.145 ( 3.806 -5.662 1.822) 7.061 3.145 ( 3.806 5.662 1.822) 7.061 3.556 ( -1.163 -1.074 13.720) 13.811 3.556 ( -1.163 1.074 13.720) 13.811 4.038 ( 4.492 -1.172 4.333) 6.351 4.038 ( 4.492 1.172 4.333) 6.351 4.191 ( -3.291 -15.420 7.446) 17.437 4.191 ( -3.291 15.420 7.446) 17.437 4.577 ( 2.778 -4.669 0.305) 5.441 4.577 ( 2.778 4.669 0.305) 5.441 4.809 ( -5.517 -3.109 -0.048) 6.333 4.809 ( -5.517 3.109 -0.048) 6.333 5.186 ( -1.816 -9.716 -2.619) 10.225 5.186 ( -1.816 9.716 -2.619) 10.225 5.379 ( 0.461 -6.258 -4.178) 7.539 5.379 ( 0.461 6.258 -4.178) 7.539 6.111 ( -9.878 -3.159 -0.978) 10.417 6.111 ( -9.878 3.159 -0.978) 10.417 6.228 ( 12.546 -6.431 -1.467) 14.174 6.228 ( 12.546 6.431 -1.467) 14.174 7.171 ( 0.124 -0.912 -0.683) 1.146 7.171 ( 0.124 0.912 -0.683) 1.146 7.486 ( -0.535 -5.209 -3.238) 6.156 7.486 ( -0.535 5.209 -3.238) 6.156 8.219 ( -1.531 -5.846 8.787) 10.665 8.219 ( -1.531 5.846 8.787) 10.665 9.149 ( 0.795 -4.139 0.879) 4.305 9.149 ( 0.795 4.139 0.879) 4.305 9.547 ( -0.403 -4.009 0.467) 4.056 9.547 ( -0.403 4.009 0.467) 4.056 9.846 ( 1.477 -4.874 -8.699) 10.080 9.846 ( 1.477 4.874 -8.699) 10.080 10.165 ( -0.965 -5.121 -0.136) 5.213 10.165 ( -0.965 5.121 -0.136) 5.213 11.160 ( -1.244 -0.857 6.455) 6.629 11.160 ( -1.244 0.857 6.455) 6.629 11.699 ( 1.185 -0.449 -2.819) 3.091 11.699 ( 1.185 0.449 -2.819) 3.091 14.447 ( -0.288 -0.526 -1.313) 1.444 14.447 ( -0.288 0.526 -1.313) 1.444 14.749 ( -3.205 -1.140 -8.759) 9.397 14.749 ( -3.205 1.140 -8.759) 9.397 15.276 ( 2.329 -3.316 8.018) 8.983 15.276 ( 2.329 3.316 8.018) 8.983 16.107 ( 0.857 -0.731 1.002) 1.507 16.107 ( 0.857 0.731 1.002) 1.507 18.387 ( -0.007 -0.918 -3.427) 3.548 18.387 ( -0.007 0.918 -3.427) 3.548 18.956 ( -0.038 -1.809 1.696) 2.480 18.956 ( -0.038 1.809 1.696) 2.480 ======================= Grid point 141 (72/160) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -3.107 -6.539 -3.575) 8.074 1.779 ( -3.107 6.539 -3.575) 8.074 2.161 ( -1.404 -10.867 1.194) 11.022 2.161 ( -1.404 10.867 1.194) 11.022 2.506 ( 1.049 -4.763 2.632) 5.542 2.506 ( 1.049 4.763 2.632) 5.542 2.637 ( -0.310 -5.382 1.942) 5.730 2.637 ( -0.310 5.382 1.942) 5.730 2.743 ( 2.755 -5.099 -11.712) 13.067 2.743 ( 2.755 5.099 -11.712) 13.067 3.243 ( 3.847 -4.064 -0.973) 5.680 3.243 ( 3.847 4.064 -0.973) 5.680 3.656 ( -7.027 -2.572 13.723) 15.631 3.656 ( -7.027 2.572 13.723) 15.631 4.092 ( -6.380 -5.397 6.083) 10.337 4.092 ( -6.380 5.397 6.083) 10.337 4.301 ( -2.791 -9.608 7.836) 12.708 4.301 ( -2.791 9.608 7.836) 12.708 4.475 ( -4.871 -9.798 2.302) 11.181 4.475 ( -4.871 9.798 2.302) 11.181 4.839 ( 6.933 -4.497 -2.355) 8.593 4.839 ( 6.933 4.497 -2.355) 8.593 5.050 ( -6.371 -9.031 -0.847) 11.085 5.050 ( -6.371 9.031 -0.847) 11.085 5.382 ( 4.958 -5.295 -5.773) 9.270 5.382 ( 4.958 5.295 -5.773) 9.270 5.880 ( -11.887 -4.647 -2.177) 12.947 5.880 ( -11.887 4.647 -2.177) 12.947 6.519 ( 18.285 -9.562 -0.509) 20.641 6.519 ( 18.285 9.562 -0.509) 20.641 7.170 ( 1.048 -1.944 -0.645) 2.301 7.170 ( 1.048 1.944 -0.645) 2.301 7.450 ( 1.134 -4.185 -3.335) 5.470 7.450 ( 1.134 4.185 -3.335) 5.470 8.300 ( -2.389 -6.768 10.026) 12.330 8.300 ( -2.389 6.768 10.026) 12.330 9.173 ( 0.560 -7.308 0.538) 7.349 9.173 ( 0.560 7.308 0.538) 7.349 9.457 ( -8.080 -3.767 -2.814) 9.349 9.457 ( -8.080 3.767 -2.814) 9.349 9.808 ( 4.161 -3.630 -5.033) 7.472 9.808 ( 4.161 3.630 -5.033) 7.472 10.104 ( -5.022 -5.528 -0.898) 7.522 10.104 ( -5.022 5.528 -0.898) 7.522 11.276 ( 4.827 -1.846 6.407) 8.232 11.276 ( 4.827 1.846 6.407) 8.232 11.703 ( 3.602 -0.549 -3.639) 5.149 11.703 ( 3.602 0.549 -3.639) 5.149 14.463 ( 4.595 -1.782 -4.691) 6.804 14.463 ( 4.595 1.782 -4.691) 6.804 14.648 ( 1.669 -4.294 -3.115) 5.561 14.648 ( 1.669 4.294 -3.115) 5.561 15.392 ( 1.685 -3.580 5.330) 6.638 15.392 ( 1.685 3.580 5.330) 6.638 16.051 ( -8.613 -4.171 1.365) 9.667 16.051 ( -8.613 4.171 1.365) 9.667 18.378 ( 3.786 -1.303 -3.842) 5.549 18.378 ( 3.786 1.303 -3.842) 5.549 18.965 ( -1.401 -1.562 2.017) 2.911 18.965 ( -1.401 1.562 2.017) 2.911 ======================= Grid point 143 (73/160) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 1.756 -1.809 3.264) 4.124 1.767 ( 1.756 1.809 3.264) 4.124 2.177 ( 1.873 -6.636 1.592) 7.077 2.177 ( 1.873 6.636 1.592) 7.077 2.452 ( -4.623 -5.315 -1.746) 7.257 2.452 ( -4.623 5.315 -1.746) 7.257 2.606 ( 0.534 -2.839 -9.547) 9.975 2.606 ( 0.534 2.839 -9.547) 9.975 2.780 ( 4.991 -3.468 2.854) 6.714 2.780 ( 4.991 3.468 2.854) 6.714 3.208 ( -3.766 -0.974 -4.481) 5.934 3.208 ( -3.766 0.974 -4.481) 5.934 3.621 ( -10.799 -4.777 6.010) 13.250 3.621 ( -10.799 4.777 6.010) 13.250 3.983 ( -14.032 -8.722 5.153) 17.307 3.983 ( -14.032 8.722 5.153) 17.307 4.147 ( -7.986 -1.620 -1.449) 8.276 4.147 ( -7.986 1.620 -1.449) 8.276 4.611 ( 1.629 -9.810 8.712) 13.220 4.611 ( 1.629 9.810 8.712) 13.220 4.885 ( -1.355 -8.105 -0.100) 8.218 4.885 ( -1.355 8.105 -0.100) 8.218 5.075 ( 6.172 -11.533 4.293) 13.767 5.075 ( 6.172 11.533 4.293) 13.767 5.379 ( 4.319 -5.861 -7.101) 10.170 5.379 ( 4.319 5.861 -7.101) 10.170 5.705 ( -5.681 -6.396 -0.583) 8.574 5.705 ( -5.681 6.396 -0.583) 8.574 6.777 ( 12.973 -7.711 -1.493) 15.166 6.777 ( 12.973 7.711 -1.493) 15.166 7.205 ( 5.328 -3.618 -2.214) 6.810 7.205 ( 5.328 3.618 -2.214) 6.810 7.454 ( 1.663 -2.484 0.317) 3.006 7.454 ( 1.663 2.484 0.317) 3.006 8.352 ( -3.933 -4.960 7.247) 9.622 8.352 ( -3.933 4.960 7.247) 9.622 9.157 ( -2.550 -9.433 -2.196) 10.015 9.157 ( -2.550 9.433 -2.196) 10.015 9.285 ( -6.329 -6.823 -1.995) 9.518 9.285 ( -6.329 6.823 -1.995) 9.518 9.841 ( 3.236 -3.656 -1.221) 5.033 9.841 ( 3.236 3.656 -1.221) 5.033 9.999 ( -5.655 -6.237 -0.343) 8.426 9.999 ( -5.655 6.237 -0.343) 8.426 11.437 ( 5.993 -1.907 4.565) 7.771 11.437 ( 5.993 1.907 4.565) 7.771 11.731 ( 4.975 -0.175 -4.130) 6.469 11.731 ( 4.975 0.175 -4.130) 6.469 14.462 ( 2.317 -2.839 -3.426) 5.016 14.462 ( 2.317 2.839 -3.426) 5.016 14.757 ( 10.867 -6.286 0.769) 12.578 14.757 ( 10.867 6.286 0.769) 12.578 15.439 ( -1.370 -6.399 1.456) 6.704 15.439 ( -1.370 6.399 1.456) 6.704 15.887 ( -10.644 -8.846 0.697) 13.858 15.887 ( -10.644 8.846 0.697) 13.858 18.410 ( 3.962 -2.117 -2.658) 5.219 18.410 ( 3.962 2.117 -2.658) 5.219 18.959 ( -1.695 -1.028 1.680) 2.598 18.959 ( -1.695 1.028 1.680) 2.598 ======================= Grid point 145 (74/160) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 2.634 -4.943 5.778) 8.047 1.870 ( 2.634 4.943 5.778) 8.047 2.283 ( 5.236 -2.405 5.974) 8.300 2.283 ( 5.236 2.405 5.974) 8.300 2.346 ( -3.528 -5.819 -4.518) 8.168 2.346 ( -3.528 5.819 -4.518) 8.168 2.498 ( 2.480 -3.466 -11.143) 11.931 2.498 ( 2.480 3.466 -11.143) 11.931 2.847 ( -0.460 -9.570 0.048) 9.581 2.847 ( -0.460 9.570 0.048) 9.581 3.088 ( -4.401 -4.002 -0.381) 5.961 3.088 ( -4.401 4.002 -0.381) 5.961 3.465 ( -11.444 -8.632 1.349) 14.398 3.465 ( -11.444 8.632 1.349) 14.398 3.758 ( -16.569 -8.275 1.929) 18.621 3.758 ( -16.569 8.275 1.929) 18.621 4.075 ( -1.088 -3.564 0.124) 3.729 4.075 ( -1.088 3.564 0.124) 3.729 4.676 ( -1.225 -7.239 1.362) 7.467 4.676 ( -1.225 7.239 1.362) 7.467 4.814 ( -4.913 -4.850 0.355) 6.912 4.814 ( -4.913 4.850 0.355) 6.912 5.162 ( 1.458 -7.566 -1.591) 7.868 5.162 ( 1.458 7.566 -1.591) 7.868 5.460 ( 7.909 -2.502 1.322) 8.400 5.460 ( 7.909 2.502 1.322) 8.400 5.675 ( 0.359 -5.891 1.847) 6.184 5.675 ( 0.359 5.891 1.847) 6.184 6.914 ( 5.945 -4.064 -1.496) 7.355 6.914 ( 5.945 4.064 -1.496) 7.355 7.282 ( 8.287 -3.842 -5.773) 10.806 7.282 ( 8.287 3.842 -5.773) 10.806 7.518 ( 2.068 -4.038 4.983) 6.739 7.518 ( 2.068 4.038 4.983) 6.739 8.332 ( -4.897 -2.300 2.727) 6.059 8.332 ( -4.897 2.300 2.727) 6.059 9.053 ( -5.204 -2.797 -1.078) 6.006 9.053 ( -5.204 2.797 -1.078) 6.006 9.211 ( -2.008 -5.028 -1.192) 5.544 9.211 ( -2.008 5.028 -1.192) 5.544 9.859 ( 0.223 -6.205 -1.557) 6.401 9.859 ( 0.223 6.205 -1.557) 6.401 9.937 ( -2.329 -1.752 1.789) 3.420 9.937 ( -2.329 1.752 1.789) 3.420 11.567 ( 4.030 -1.464 2.765) 5.102 11.567 ( 4.030 1.464 2.765) 5.102 11.776 ( 5.544 -0.598 -3.094) 6.377 11.776 ( 5.544 0.598 -3.094) 6.377 14.489 ( 2.185 -2.253 1.610) 3.527 14.489 ( 2.185 2.253 1.610) 3.527 14.962 ( 10.249 -5.814 1.086) 11.833 14.962 ( 10.249 5.814 1.086) 11.833 15.376 ( -4.557 -7.443 -1.493) 8.854 15.376 ( -4.557 7.443 -1.493) 8.854 15.754 ( -4.749 -8.456 -0.998) 9.750 15.754 ( -4.749 8.456 -0.998) 9.750 18.434 ( 1.057 -2.604 -0.895) 2.950 18.434 ( 1.057 2.604 -0.895) 2.950 18.953 ( -0.653 -0.151 0.773) 1.023 18.953 ( -0.653 0.151 0.773) 1.023 ======================= Grid point 147 (75/160) ======================= q-point: ( 0.40 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.905 -3.815 3.874) 5.512 1.964 ( 0.905 3.815 3.874) 5.512 2.227 ( -2.480 -2.662 -5.741) 6.796 2.227 ( -2.480 2.662 -5.741) 6.796 2.382 ( 5.002 -0.224 -5.128) 7.167 2.382 ( 5.002 0.224 -5.128) 7.167 2.545 ( 9.075 -4.690 1.870) 10.385 2.545 ( 9.075 4.690 1.870) 10.385 2.798 ( -2.924 -11.671 0.310) 12.036 2.798 ( -2.924 11.671 0.310) 12.036 3.031 ( -6.429 -8.253 1.880) 10.629 3.031 ( -6.429 8.253 1.880) 10.629 3.310 ( -8.583 -4.891 2.153) 10.111 3.310 ( -8.583 4.891 2.153) 10.111 3.523 ( -9.787 -4.991 -1.054) 11.037 3.523 ( -9.787 4.991 -1.054) 11.037 4.069 ( -0.156 -3.366 0.220) 3.377 4.069 ( -0.156 3.366 0.220) 3.377 4.600 ( -1.786 -8.416 -5.917) 10.442 4.600 ( -1.786 8.416 -5.917) 10.442 4.799 ( -1.181 -9.776 4.053) 10.648 4.799 ( -1.181 9.776 4.053) 10.648 5.167 ( 0.673 -0.265 -0.017) 0.723 5.167 ( 0.673 0.265 -0.017) 0.723 5.550 ( 3.892 -3.401 -3.149) 6.052 5.550 ( 3.892 3.401 -3.149) 6.052 5.722 ( 0.036 -2.339 2.779) 3.633 5.722 ( 0.036 2.339 2.779) 3.633 6.965 ( 2.447 -1.758 -1.350) 3.302 6.965 ( 2.447 1.758 -1.350) 3.302 7.332 ( 5.995 -3.687 -5.871) 9.166 7.332 ( 5.995 3.687 -5.871) 9.166 7.605 ( 0.769 -5.100 3.845) 6.433 7.605 ( 0.769 5.100 3.845) 6.433 8.290 ( -2.871 -2.291 2.952) 4.712 8.290 ( -2.871 2.291 2.952) 4.712 8.979 ( -3.658 -2.446 0.815) 4.475 8.979 ( -3.658 2.446 0.815) 4.475 9.176 ( -0.335 -2.174 -0.981) 2.408 9.176 ( -0.335 2.174 -0.981) 2.408 9.838 ( 0.463 -7.108 -2.001) 7.399 9.838 ( 0.463 7.108 -2.001) 7.399 9.929 ( -1.732 -4.784 1.373) 5.270 9.929 ( -1.732 4.784 1.373) 5.270 11.639 ( 1.430 -2.637 2.106) 3.665 11.639 ( 1.430 2.637 2.106) 3.665 11.838 ( 4.273 -0.925 -1.228) 4.541 11.838 ( 4.273 0.925 -1.228) 4.541 14.560 ( 0.743 -1.796 5.366) 5.707 14.560 ( 0.743 1.796 5.366) 5.707 15.046 ( -1.147 -3.348 -0.337) 3.555 15.046 ( -1.147 3.348 -0.337) 3.555 15.353 ( 4.419 -7.051 -0.850) 8.364 15.353 ( 4.419 7.051 -0.850) 8.364 15.682 ( -1.322 -3.889 -3.464) 5.373 15.682 ( -1.322 3.889 -3.464) 5.373 18.427 ( -0.927 -1.678 0.058) 1.917 18.427 ( -0.927 1.678 0.058) 1.917 18.956 ( 0.209 -0.252 0.126) 0.351 18.956 ( 0.209 0.252 0.126) 0.351 ======================= Grid point 149 (76/160) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -3.195 -7.514 -2.398) 8.510 1.943 ( -3.195 7.514 -2.398) 8.510 2.164 ( 2.843 -2.216 -8.380) 9.123 2.164 ( 2.843 2.216 -8.380) 9.123 2.429 ( 4.090 -4.396 0.114) 6.006 2.429 ( 4.090 4.396 0.114) 6.006 2.688 ( 3.748 -2.381 1.913) 4.835 2.688 ( 3.748 2.381 1.913) 4.835 2.792 ( -3.407 -6.178 4.398) 8.314 2.792 ( -3.407 6.178 4.398) 8.314 2.928 ( -1.568 -7.353 -0.181) 7.520 2.928 ( -1.568 7.353 -0.181) 7.520 3.208 ( -3.210 -1.050 -1.333) 3.631 3.208 ( -3.210 1.050 -1.333) 3.631 3.466 ( 1.240 -0.226 1.622) 2.055 3.466 ( 1.240 0.226 1.622) 2.055 4.083 ( 0.305 -1.373 1.881) 2.348 4.083 ( 0.305 1.373 1.881) 2.348 4.536 ( 1.335 -7.198 -3.843) 8.268 4.536 ( 1.335 7.198 -3.843) 8.268 4.833 ( -0.146 -10.874 2.971) 11.273 4.833 ( -0.146 10.874 2.971) 11.273 5.163 ( -0.467 -4.840 -2.429) 5.436 5.163 ( -0.467 4.840 -2.429) 5.436 5.547 ( 1.425 -5.903 -3.848) 7.189 5.547 ( 1.425 5.903 -3.848) 7.189 5.712 ( -2.717 -1.228 0.266) 2.994 5.712 ( -2.717 1.228 0.266) 2.994 6.968 ( 0.289 -2.992 -1.809) 3.508 6.968 ( 0.289 2.992 -1.809) 3.508 7.357 ( 4.478 -3.487 -4.912) 7.506 7.357 ( 4.478 3.487 -4.912) 7.506 7.612 ( -3.281 -5.426 1.310) 6.475 7.612 ( -3.281 5.426 1.310) 6.475 8.310 ( -1.596 -5.324 5.369) 7.728 8.310 ( -1.596 5.324 5.369) 7.728 8.950 ( -0.051 -2.733 0.389) 2.761 8.950 ( -0.051 2.733 0.389) 2.761 9.184 ( 1.170 -1.441 0.844) 2.039 9.184 ( 1.170 1.441 0.844) 2.039 9.830 ( 0.881 -3.880 -1.550) 4.270 9.830 ( 0.881 3.880 -1.550) 4.270 9.906 ( -1.112 -5.419 -0.699) 5.576 9.906 ( -1.112 5.419 -0.699) 5.576 11.668 ( -1.280 -3.050 2.436) 4.108 11.668 ( -1.280 3.050 2.436) 4.108 11.878 ( 1.347 -1.630 -0.147) 2.120 11.878 ( 1.347 1.630 -0.147) 2.120 14.621 ( -2.722 -1.195 7.554) 8.118 14.621 ( -2.722 1.195 7.554) 8.118 15.015 ( 0.307 -1.579 -1.026) 1.908 15.015 ( 0.307 1.579 -1.026) 1.908 15.407 ( 0.597 -5.931 -0.494) 5.982 15.407 ( 0.597 5.931 -0.494) 5.982 15.632 ( 1.574 -3.214 -4.938) 6.099 15.632 ( 1.574 3.214 -4.938) 6.099 18.419 ( 0.330 -1.746 0.118) 1.781 18.419 ( 0.330 1.746 0.118) 1.781 18.957 ( -0.364 -0.152 0.034) 0.396 18.957 ( -0.364 0.152 0.034) 0.396 ======================= Grid point 151 (77/160) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -1.389 -5.165 -1.516) 5.559 1.876 ( -1.389 5.165 -1.516) 5.559 2.081 ( 1.888 -1.513 -10.615) 10.887 2.081 ( 1.888 1.513 -10.615) 10.887 2.450 ( -5.399 -0.895 2.913) 6.200 2.450 ( -5.399 0.895 2.913) 6.200 2.689 ( -0.663 -9.409 -2.759) 9.828 2.689 ( -0.663 9.409 -2.759) 9.828 2.840 ( 4.176 -4.080 4.767) 7.537 2.840 ( 4.176 4.080 4.767) 7.537 3.008 ( 5.964 -3.099 3.005) 7.363 3.008 ( 5.964 3.099 3.005) 7.363 3.242 ( 9.021 -6.104 -1.817) 11.042 3.242 ( 9.021 6.104 -1.817) 11.042 3.520 ( 3.584 -2.579 -1.195) 4.574 3.520 ( 3.584 2.579 -1.195) 4.574 4.114 ( -0.476 -4.680 3.903) 6.112 4.114 ( -0.476 4.680 3.903) 6.112 4.540 ( 0.143 -7.535 -0.050) 7.536 4.540 ( 0.143 7.535 -0.050) 7.536 4.847 ( 0.022 -11.104 -0.928) 11.143 4.847 ( 0.022 11.104 -0.928) 11.143 5.085 ( -0.145 -5.658 -7.840) 9.669 5.085 ( -0.145 5.658 -7.840) 9.669 5.543 ( 0.033 -4.461 1.824) 4.820 5.543 ( 0.033 4.461 1.824) 4.820 5.664 ( -2.145 -0.639 -0.635) 2.327 5.664 ( -2.145 0.639 -0.635) 2.327 6.943 ( -0.691 -2.189 -1.747) 2.885 6.943 ( -0.691 2.189 -1.747) 2.885 7.351 ( 1.165 -2.873 -5.501) 6.314 7.351 ( 1.165 2.873 -5.501) 6.314 7.556 ( -4.634 -5.600 2.406) 7.657 7.556 ( -4.634 5.600 2.406) 7.657 8.319 ( -4.043 -6.688 3.389) 8.518 8.319 ( -4.043 6.688 3.389) 8.518 9.003 ( 5.351 -5.235 0.800) 7.529 9.003 ( 5.351 5.235 0.800) 7.529 9.219 ( 0.919 -3.383 1.506) 3.816 9.219 ( 0.919 3.383 1.506) 3.816 9.827 ( 1.051 -5.159 -1.266) 5.415 9.827 ( 1.051 5.159 -1.266) 5.415 9.897 ( 1.515 -6.287 -0.789) 6.515 9.897 ( 1.515 6.287 -0.789) 6.515 11.641 ( -5.306 -3.054 1.892) 6.408 11.641 ( -5.306 3.054 1.892) 6.408 11.880 ( -1.127 -2.128 0.358) 2.435 11.880 ( -1.127 2.128 0.358) 2.435 14.655 ( -4.006 -0.619 9.237) 10.087 14.655 ( -4.006 0.619 9.237) 10.087 15.018 ( -0.804 -1.541 -0.907) 1.960 15.018 ( -0.804 1.541 -0.907) 1.960 15.373 ( -1.394 -6.071 -1.202) 6.344 15.373 ( -1.394 6.071 -1.202) 6.344 15.611 ( 3.088 -7.247 -5.822) 9.796 15.611 ( 3.088 7.247 -5.822) 9.796 18.447 ( 2.550 -3.306 0.334) 4.188 18.447 ( 2.550 3.306 0.334) 4.188 18.941 ( -1.510 -1.000 -0.062) 1.812 18.941 ( -1.510 1.000 -0.062) 1.812 ======================= Grid point 153 (78/160) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -0.659 -4.694 1.510) 4.975 1.855 ( -0.659 4.694 1.510) 4.975 2.024 ( 2.425 -4.885 -6.045) 8.141 2.024 ( 2.425 4.885 -6.045) 8.141 2.397 ( -0.405 -2.687 0.370) 2.742 2.397 ( -0.405 2.687 0.370) 2.742 2.628 ( -1.840 -4.266 -4.221) 6.276 2.628 ( -1.840 4.266 -4.221) 6.276 2.958 ( 1.933 -5.065 5.639) 7.822 2.958 ( 1.933 5.065 5.639) 7.822 3.199 ( 11.024 -3.907 0.869) 11.728 3.199 ( 11.024 3.907 0.869) 11.728 3.350 ( 2.774 -4.030 -1.168) 5.030 3.350 ( 2.774 4.030 -1.168) 5.030 3.580 ( 10.684 -7.756 -5.370) 14.253 3.580 ( 10.684 7.756 -5.370) 14.253 4.164 ( -0.377 -13.162 4.965) 14.072 4.164 ( -0.377 13.162 4.965) 14.072 4.476 ( -4.549 -5.906 -3.667) 8.308 4.476 ( -4.549 5.906 -3.667) 8.308 4.838 ( 1.270 -9.895 0.089) 9.977 4.838 ( 1.270 9.895 0.089) 9.977 5.031 ( 1.767 -4.025 -4.524) 6.308 5.031 ( 1.767 4.025 -4.524) 6.308 5.547 ( -2.954 -2.876 0.854) 4.210 5.547 ( -2.954 2.876 0.854) 4.210 5.677 ( 3.795 -2.291 2.610) 5.145 5.677 ( 3.795 2.291 2.610) 5.145 6.890 ( -4.161 -3.851 -2.024) 6.020 6.890 ( -4.161 3.851 -2.024) 6.020 7.268 ( -3.190 -1.421 -3.865) 5.209 7.268 ( -3.190 1.421 -3.865) 5.209 7.535 ( -1.911 -4.642 2.985) 5.841 7.535 ( -1.911 4.642 2.985) 5.841 8.258 ( -5.344 -7.049 0.766) 8.879 8.258 ( -5.344 7.049 0.766) 8.879 9.115 ( 5.638 -2.452 -0.346) 6.158 9.115 ( 5.638 2.452 -0.346) 6.158 9.253 ( 2.286 -0.910 1.488) 2.875 9.253 ( 2.286 0.910 1.488) 2.875 9.849 ( 4.015 -8.551 -2.565) 9.789 9.849 ( 4.015 8.551 -2.565) 9.789 9.940 ( 2.640 -3.742 2.385) 5.163 9.940 ( 2.640 3.742 2.385) 5.163 11.531 ( -9.550 -4.043 0.946) 10.414 11.531 ( -9.550 4.043 0.946) 10.414 11.850 ( -2.709 -1.841 -0.098) 3.277 11.850 ( -2.709 1.841 -0.098) 3.277 14.722 ( -2.388 -1.096 11.624) 11.917 14.722 ( -2.388 1.096 11.624) 11.917 14.913 ( -9.582 -2.513 -1.159) 9.974 14.913 ( -9.582 2.513 -1.159) 9.974 15.342 ( -0.316 -5.482 -5.015) 7.437 15.342 ( -0.316 5.482 -5.015) 7.437 15.638 ( 9.000 -8.947 -4.204) 13.369 15.638 ( 9.000 8.947 -4.204) 13.369 18.498 ( 1.905 -3.344 0.832) 3.937 18.498 ( 1.905 3.344 0.832) 3.937 18.911 ( -1.342 -2.041 -0.337) 2.466 18.911 ( -1.342 2.041 -0.337) 2.466 ======================= Grid point 155 (79/160) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 3.534 -2.184 1.393) 4.382 1.907 ( 3.534 2.184 1.393) 4.382 2.013 ( 1.045 -7.142 1.895) 7.462 2.013 ( 1.045 7.142 1.895) 7.462 2.443 ( 1.855 -6.883 -0.248) 7.133 2.443 ( 1.855 6.883 -0.248) 7.133 2.559 ( 1.013 -1.979 -2.210) 3.135 2.559 ( 1.013 1.979 -2.210) 3.135 3.013 ( 0.987 -7.988 -3.508) 8.780 3.013 ( 0.987 7.988 -3.508) 8.780 3.240 ( -3.506 -2.067 -0.350) 4.085 3.240 ( -3.506 2.067 -0.350) 4.085 3.373 ( 2.342 -4.177 -1.655) 5.067 3.373 ( 2.342 4.177 -1.655) 5.067 3.769 ( 14.415 -13.580 -2.385) 19.947 3.769 ( 14.415 13.580 -2.385) 19.947 4.182 ( -2.005 -17.092 2.120) 17.339 4.182 ( -2.005 17.092 2.120) 17.339 4.399 ( -0.346 -5.704 -0.263) 5.721 4.399 ( -0.346 5.704 -0.263) 5.721 4.919 ( 6.623 -9.502 2.235) 11.796 4.919 ( 6.623 9.502 2.235) 11.796 5.005 ( -1.716 -2.252 -0.236) 2.841 5.005 ( -1.716 2.252 -0.236) 2.841 5.493 ( -2.616 -2.809 -1.002) 3.967 5.493 ( -2.616 2.809 -1.002) 3.967 5.813 ( 7.338 -2.415 2.996) 8.286 5.813 ( 7.338 2.415 2.996) 8.286 6.720 ( -12.027 -8.308 -3.821) 15.108 6.720 ( -12.027 8.308 -3.821) 15.108 7.198 ( -1.621 -0.985 -0.917) 2.107 7.198 ( -1.621 0.985 -0.917) 2.107 7.543 ( -1.051 -4.291 1.884) 4.803 7.543 ( -1.051 4.291 1.884) 4.803 8.184 ( -4.109 -6.186 1.140) 7.513 8.184 ( -4.109 6.186 1.140) 7.513 9.143 ( 0.347 -4.367 -1.366) 4.589 9.143 ( 0.347 4.367 -1.366) 4.589 9.363 ( 7.578 -7.320 1.166) 10.600 9.363 ( 7.578 7.320 1.166) 10.600 9.886 ( 4.430 -10.781 -3.731) 12.238 9.886 ( 4.430 10.781 -3.731) 12.238 10.038 ( 4.045 -5.563 3.704) 7.812 10.038 ( 4.045 5.563 3.704) 7.812 11.356 ( -11.817 -3.847 1.036) 12.470 11.356 ( -11.817 3.847 1.036) 12.470 11.791 ( -3.044 -0.949 -1.194) 3.405 11.791 ( -3.044 0.949 -1.194) 3.405 14.701 ( -12.112 -1.187 0.489) 12.179 14.701 ( -12.112 1.187 0.489) 12.179 14.853 ( -0.269 -1.367 10.690) 10.780 14.853 ( -0.269 1.367 10.690) 10.780 15.226 ( -2.342 -1.949 -8.817) 9.328 15.226 ( -2.342 1.949 -8.817) 9.328 15.807 ( 13.470 -5.783 -1.644) 14.751 15.807 ( 13.470 5.783 -1.644) 14.751 18.507 ( -1.949 -1.566 0.303) 2.519 18.507 ( -1.949 1.566 0.303) 2.519 18.902 ( 0.774 -2.623 -0.035) 2.735 18.902 ( 0.774 2.623 -0.035) 2.735 ======================= Grid point 157 (80/160) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.694 -10.409 -0.135) 10.433 1.944 ( 0.694 10.409 -0.135) 10.433 2.149 ( 5.605 -8.956 7.462) 12.934 2.149 ( 5.605 8.956 7.462) 12.934 2.369 ( -4.485 -12.535 -4.116) 13.935 2.369 ( -4.485 12.535 -4.116) 13.935 2.638 ( 5.052 -1.480 0.258) 5.270 2.638 ( 5.052 1.480 0.258) 5.270 2.919 ( 1.272 -8.583 -10.032) 13.263 2.919 ( 1.272 8.583 -10.032) 13.263 3.167 ( -5.596 -4.490 0.158) 7.177 3.167 ( -5.596 4.490 0.158) 7.177 3.421 ( 2.388 -4.122 5.477) 7.259 3.421 ( 2.388 4.122 5.477) 7.259 3.928 ( 6.619 -8.760 -0.443) 10.988 3.928 ( 6.619 8.760 -0.443) 10.988 4.183 ( -3.856 -17.151 6.091) 18.604 4.183 ( -3.856 17.151 6.091) 18.604 4.457 ( 7.385 -6.499 -0.401) 9.845 4.457 ( 7.385 6.499 -0.401) 9.845 4.926 ( -7.268 -2.244 2.228) 7.926 4.926 ( -7.268 2.244 2.228) 7.926 5.110 ( 9.717 -9.018 0.630) 13.271 5.110 ( 9.717 9.018 0.630) 13.271 5.441 ( -2.152 -5.947 -1.486) 6.496 5.441 ( -2.152 5.947 -1.486) 6.496 5.977 ( 9.979 -4.144 0.639) 10.824 5.977 ( 9.979 4.144 0.639) 10.824 6.429 ( -15.589 -7.104 -4.054) 17.604 6.429 ( -15.589 7.104 -4.054) 17.604 7.178 ( -0.156 -0.531 -0.553) 0.782 7.178 ( -0.156 0.531 -0.553) 0.782 7.530 ( -1.506 -4.314 -0.674) 4.618 7.530 ( -1.506 4.314 -0.674) 4.618 8.165 ( -2.032 -4.431 4.793) 6.836 8.165 ( -2.032 4.431 4.793) 6.836 9.135 ( 0.272 -3.593 -0.219) 3.610 9.135 ( 0.272 3.593 -0.219) 3.610 9.490 ( 5.684 -6.857 0.466) 8.919 9.490 ( 5.684 6.857 0.466) 8.919 9.899 ( 3.086 -9.537 -5.718) 11.539 9.899 ( 3.086 9.537 -5.718) 11.539 10.135 ( 2.934 -6.872 1.930) 7.718 10.135 ( 2.934 6.872 1.930) 7.718 11.193 ( -9.277 -1.910 3.383) 10.057 11.193 ( -9.277 1.910 3.383) 10.057 11.731 ( -1.496 -0.251 -2.097) 2.588 11.731 ( -1.496 0.251 -2.097) 2.588 14.525 ( -7.859 -0.601 -0.291) 7.887 14.525 ( -7.859 0.601 -0.291) 7.887 14.896 ( -3.414 -0.336 -2.835) 4.451 14.896 ( -3.414 0.336 -2.835) 4.451 15.159 ( 1.410 -3.519 3.142) 4.924 15.159 ( 1.410 3.519 3.142) 4.924 16.004 ( 10.101 -3.355 -0.271) 10.647 16.004 ( 10.101 3.355 -0.271) 10.647 18.449 ( -3.223 -0.366 -1.611) 3.622 18.449 ( -3.223 0.366 -1.611) 3.622 18.929 ( 1.290 -2.344 0.929) 2.832 18.929 ( 1.290 2.344 0.929) 2.832 ======================= Grid point 189 (81/160) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -3.144 0.000 24.743) 24.942 1.136 ( 3.000 0.000 26.555) 26.724 1.865 ( -4.094 0.000 -13.329) 13.944 1.985 ( -1.922 0.000 9.611) 9.801 2.115 ( -0.528 0.000 15.456) 15.465 2.398 ( 1.175 0.000 -1.093) 1.605 2.687 ( 1.145 0.000 -9.431) 9.500 2.887 ( -2.219 0.000 4.238) 4.784 3.084 ( -2.614 0.000 -5.024) 5.663 3.258 ( 1.873 0.000 9.797) 9.974 3.393 ( 12.373 0.000 -5.372) 13.489 3.559 ( 5.309 0.000 -0.415) 5.325 3.667 ( 1.874 0.000 5.411) 5.726 3.733 ( -8.248 0.000 -3.297) 8.882 3.811 ( -0.065 0.000 -2.027) 2.028 3.861 ( 4.532 0.000 -1.312) 4.718 4.092 ( -2.379 0.000 0.175) 2.385 4.160 ( 2.009 0.000 10.800) 10.985 4.253 ( 0.895 0.000 8.781) 8.827 4.603 ( -8.508 0.000 -1.991) 8.738 4.628 ( -0.992 0.000 -13.628) 13.664 5.045 ( 9.562 0.000 -16.718) 19.260 5.158 ( 11.336 0.000 6.412) 13.024 5.496 ( -11.486 0.000 -5.488) 12.730 5.548 ( 0.800 0.000 9.806) 9.839 5.749 ( -10.767 0.000 -2.820) 11.130 5.769 ( -3.237 0.000 0.035) 3.237 5.937 ( -3.077 0.000 -7.736) 8.326 6.447 ( -5.251 0.000 8.146) 9.691 6.515 ( 10.794 0.000 -0.157) 10.796 6.591 ( -1.882 0.000 -0.307) 1.907 6.818 ( 5.179 0.000 -6.142) 8.034 7.602 ( -0.545 0.000 -0.332) 0.639 7.623 ( 0.652 0.000 -2.086) 2.185 7.955 ( 3.214 0.000 9.356) 9.892 8.312 ( -2.364 0.000 -7.451) 7.817 8.564 ( -1.423 0.000 10.992) 11.084 9.048 ( 0.676 0.000 -9.344) 9.368 9.333 ( -2.130 0.000 1.062) 2.381 9.451 ( 1.682 0.000 -3.309) 3.712 10.104 ( 2.019 0.000 8.316) 8.558 10.141 ( -1.123 0.000 4.322) 4.465 10.428 ( -3.459 0.000 -3.935) 5.239 10.507 ( 2.943 0.000 -6.449) 7.089 10.914 ( -3.243 0.000 12.804) 13.208 11.229 ( -0.167 0.000 10.154) 10.155 11.419 ( 1.394 0.000 -11.467) 11.551 11.604 ( -0.397 0.000 -7.147) 7.158 14.616 ( -10.042 0.000 -4.221) 10.893 14.697 ( 14.108 0.000 -8.334) 16.385 15.130 ( 10.153 0.000 0.654) 10.174 15.159 ( -12.667 0.000 -0.273) 12.670 15.498 ( 12.891 0.000 0.468) 12.899 15.502 ( -10.326 0.000 0.679) 10.348 15.618 ( 9.429 0.000 2.745) 9.821 15.698 ( -13.080 0.000 -0.316) 13.083 18.045 ( 0.950 0.000 3.435) 3.564 18.157 ( -0.905 0.000 -1.508) 1.759 19.043 ( -0.421 0.000 1.986) 2.031 19.062 ( 0.996 0.000 1.000) 1.411 ======================= Grid point 190 (82/160) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 7.085 0.000 22.462) 23.553 1.537 ( 9.146 0.000 19.127) 21.201 1.687 ( 1.756 0.000 -8.928) 9.099 1.792 ( 1.562 0.000 -20.313) 20.373 2.424 ( -0.819 0.000 1.192) 1.446 2.428 ( 2.686 0.000 3.230) 4.201 2.754 ( 3.023 0.000 19.422) 19.655 2.867 ( -9.515 0.000 -9.249) 13.270 2.925 ( 0.835 0.000 7.317) 7.365 3.384 ( -0.488 0.000 8.297) 8.312 3.395 ( 8.424 0.000 -20.767) 22.411 3.484 ( -4.867 0.000 -9.962) 11.088 3.620 ( -0.555 0.000 2.869) 2.923 3.634 ( -16.409 0.000 -7.988) 18.250 3.816 ( 5.982 0.000 8.996) 10.803 3.881 ( -2.446 0.000 -5.989) 6.469 4.064 ( -7.400 0.000 2.538) 7.824 4.109 ( -11.806 0.000 4.551) 12.652 4.367 ( 6.211 0.000 7.890) 10.042 4.537 ( 0.257 0.000 10.429) 10.432 4.593 ( -1.459 0.000 -6.639) 6.798 4.870 ( -0.844 0.000 -17.275) 17.295 5.261 ( -5.852 0.000 -10.973) 12.436 5.486 ( 11.423 0.000 6.786) 13.286 5.637 ( -0.838 0.000 2.523) 2.659 5.707 ( 4.151 0.000 11.957) 12.657 5.761 ( 0.751 0.000 2.845) 2.943 5.875 ( 1.629 0.000 -4.190) 4.496 6.347 ( -10.834 0.000 -0.462) 10.844 6.576 ( -2.387 0.000 4.317) 4.933 6.597 ( 0.043 0.000 -1.383) 1.383 6.827 ( 7.226 0.000 -8.024) 10.798 7.577 ( -2.106 0.000 -0.334) 2.133 7.613 ( 0.417 0.000 -1.134) 1.208 8.128 ( 3.652 0.000 9.404) 10.088 8.161 ( -3.303 0.000 -9.231) 9.804 8.720 ( 3.093 0.000 12.425) 12.804 8.940 ( 1.692 0.000 -10.428) 10.565 9.345 ( -0.105 0.000 2.934) 2.936 9.451 ( 3.054 0.000 -2.575) 3.994 10.063 ( -9.680 0.000 2.689) 10.047 10.216 ( -3.416 0.000 9.661) 10.247 10.222 ( -10.562 0.000 -7.106) 12.730 10.449 ( -2.862 0.000 -4.084) 4.987 11.116 ( 7.837 0.000 11.959) 14.298 11.347 ( 5.364 0.000 -11.613) 12.792 11.456 ( 10.283 0.000 7.763) 12.885 11.585 ( 8.798 0.000 -7.146) 11.334 14.384 ( -11.296 0.000 -3.230) 11.748 14.786 ( 0.228 0.000 -4.765) 4.771 14.870 ( -13.976 0.000 1.439) 14.050 15.069 ( -18.077 0.000 -1.045) 18.108 15.445 ( -9.913 0.000 -0.885) 9.952 15.507 ( 11.042 0.000 2.070) 11.235 15.764 ( 12.349 0.000 -0.879) 12.380 15.824 ( 7.884 0.000 4.403) 9.030 18.134 ( 4.186 0.000 2.557) 4.905 18.139 ( 1.785 0.000 -2.638) 3.185 19.037 ( -2.338 0.000 0.789) 2.468 19.067 ( -1.229 0.000 0.096) 1.233 ======================= Grid point 191 (83/160) ======================= q-point: ( 0.20 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 6.934 0.000 -8.887) 11.272 1.629 ( 6.096 0.000 -16.927) 17.991 1.800 ( 9.486 0.000 16.086) 18.675 1.954 ( 6.808 0.000 14.485) 16.005 2.329 ( -9.741 0.000 4.484) 10.723 2.453 ( 4.239 0.000 -3.059) 5.228 2.722 ( 3.277 0.000 -5.465) 6.372 2.827 ( -9.896 0.000 0.881) 9.935 3.116 ( -19.371 0.000 -8.234) 21.048 3.150 ( 3.104 0.000 7.955) 8.539 3.221 ( -9.404 0.000 -12.844) 15.919 3.301 ( 1.972 0.000 -14.202) 14.338 3.499 ( -0.205 0.000 10.090) 10.092 3.609 ( -6.873 0.000 -4.779) 8.371 3.692 ( 2.366 0.000 -6.760) 7.162 3.994 ( 2.330 0.000 -8.258) 8.581 4.070 ( 0.892 0.000 5.846) 5.913 4.124 ( 11.311 0.000 13.575) 17.670 4.359 ( -7.121 0.000 -10.471) 12.663 4.489 ( -5.722 0.000 9.612) 11.186 4.695 ( -0.929 0.000 -13.219) 13.251 4.758 ( 5.359 0.000 13.937) 14.931 5.060 ( -8.160 0.000 -2.334) 8.487 5.615 ( -0.617 0.000 2.477) 2.552 5.700 ( 2.032 0.000 1.713) 2.658 5.770 ( -4.133 0.000 3.856) 5.652 5.847 ( 0.225 0.000 -3.837) 3.844 5.937 ( -0.514 0.000 6.582) 6.602 6.159 ( -7.781 0.000 2.949) 8.321 6.539 ( -3.917 0.000 -0.702) 3.979 6.662 ( 7.350 0.000 6.239) 9.641 6.858 ( 9.294 0.000 -11.282) 14.617 7.522 ( -4.400 0.000 0.423) 4.420 7.607 ( 0.021 0.000 -0.655) 0.655 8.017 ( -0.730 0.000 -8.473) 8.504 8.284 ( 3.481 0.000 6.949) 7.772 8.889 ( 5.119 0.000 -7.474) 9.059 8.918 ( 4.134 0.000 9.351) 10.224 9.384 ( 0.892 0.000 2.382) 2.544 9.517 ( 6.721 0.000 -0.324) 6.728 9.897 ( -14.640 0.000 -7.592) 16.491 9.912 ( -10.066 0.000 -0.185) 10.068 10.262 ( -4.765 0.000 7.378) 8.783 10.337 ( -5.233 0.000 -2.409) 5.761 11.324 ( 7.351 0.000 -10.025) 12.431 11.389 ( 8.655 0.000 9.434) 12.803 11.692 ( 7.912 0.000 5.292) 9.519 11.716 ( 12.006 0.000 -2.535) 12.271 14.199 ( -8.533 0.000 1.749) 8.710 14.559 ( -15.076 0.000 2.150) 15.229 14.703 ( -20.257 0.000 -2.578) 20.420 14.774 ( -9.525 0.000 2.344) 9.809 15.363 ( 3.004 0.000 -3.522) 4.629 15.725 ( 10.185 0.000 1.662) 10.320 15.905 ( 6.539 0.000 -1.946) 6.822 15.939 ( 1.177 0.000 0.248) 1.203 18.173 ( 5.204 0.000 -0.646) 5.244 18.234 ( 4.566 0.000 2.115) 5.032 18.983 ( -3.902 0.000 -0.750) 3.973 19.025 ( -3.006 0.000 -0.896) 3.137 ======================= Grid point 192 (84/160) ======================= q-point: ( 0.30 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 10.765 0.000 -9.651) 14.458 1.670 ( 11.538 0.000 -6.933) 13.461 1.967 ( -10.573 0.000 3.902) 11.270 2.091 ( 5.072 0.000 10.457) 11.623 2.378 ( -14.849 0.000 -10.486) 18.178 2.442 ( 2.819 0.000 12.020) 12.346 2.586 ( 2.041 0.000 1.844) 2.751 2.778 ( 3.537 0.000 0.817) 3.631 2.878 ( -13.100 0.000 -2.986) 13.436 2.878 ( -9.269 0.000 -2.151) 9.516 3.101 ( -3.413 0.000 -14.885) 15.271 3.151 ( -4.539 0.000 -5.570) 7.185 3.549 ( 13.977 0.000 -14.696) 20.282 3.644 ( 2.822 0.000 7.929) 8.416 3.735 ( 6.797 0.000 -1.317) 6.923 3.947 ( 4.181 0.000 -9.699) 10.562 4.080 ( 0.217 0.000 -3.972) 3.977 4.247 ( 2.581 0.000 3.747) 4.549 4.445 ( -7.548 0.000 3.517) 8.327 4.505 ( 6.158 0.000 3.579) 7.122 4.558 ( 2.753 0.000 -2.037) 3.425 4.947 ( -4.473 0.000 4.741) 6.518 4.958 ( -1.106 0.000 13.076) 13.123 5.476 ( -14.144 0.000 -4.431) 14.821 5.621 ( -14.026 0.000 1.089) 14.068 5.705 ( -3.851 0.000 -0.210) 3.857 5.851 ( 4.807 0.000 -2.609) 5.469 5.896 ( -2.449 0.000 -0.658) 2.536 6.187 ( -4.029 0.000 12.130) 12.782 6.474 ( -2.728 0.000 -0.384) 2.755 6.874 ( 9.307 0.000 -12.707) 15.751 6.912 ( 9.367 0.000 6.233) 11.251 7.457 ( -5.044 0.000 3.729) 6.273 7.606 ( 0.302 0.000 0.741) 0.800 7.951 ( 3.588 0.000 -7.191) 8.036 8.405 ( 3.475 0.000 2.999) 4.591 8.948 ( 9.293 0.000 -3.283) 9.855 9.055 ( 3.582 0.000 2.847) 4.576 9.425 ( 1.238 0.000 1.345) 1.828 9.555 ( -6.924 0.000 -7.428) 10.155 9.660 ( 0.712 0.000 0.865) 1.120 9.720 ( -11.182 0.000 -2.004) 11.360 10.233 ( -3.830 0.000 -1.957) 4.301 10.237 ( -6.618 0.000 5.140) 8.380 11.373 ( 9.491 0.000 -5.662) 11.051 11.610 ( 6.110 0.000 6.899) 9.215 11.832 ( 2.577 0.000 3.240) 4.140 11.876 ( 7.164 0.000 0.547) 7.185 14.157 ( -4.872 0.000 9.513) 10.688 14.377 ( -11.284 0.000 4.031) 11.983 14.383 ( -13.831 0.000 -0.696) 13.848 14.616 ( -12.102 0.000 4.532) 12.923 15.413 ( 6.786 0.000 -4.160) 7.959 15.818 ( -1.595 0.000 -8.816) 8.959 15.902 ( 3.913 0.000 -1.966) 4.379 15.950 ( 2.860 0.000 -3.274) 4.347 18.301 ( 6.817 0.000 3.989) 7.898 18.336 ( 4.187 0.000 2.606) 4.932 18.897 ( -4.159 0.000 -1.823) 4.542 18.950 ( -3.986 0.000 -1.589) 4.291 ======================= Grid point 193 (85/160) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 12.138 0.000 -0.625) 12.154 1.795 ( 5.226 0.000 1.234) 5.370 1.902 ( 2.471 0.000 0.941) 2.644 1.973 ( -13.350 0.000 0.042) 13.350 2.338 ( 8.630 0.000 -0.438) 8.641 2.438 ( -10.591 0.000 1.062) 10.644 2.598 ( -13.408 0.000 1.941) 13.548 2.704 ( -3.064 0.000 2.691) 4.078 2.726 ( 3.305 0.000 -3.819) 5.050 2.900 ( -0.328 0.000 -8.265) 8.272 2.938 ( -5.655 0.000 -11.997) 13.263 3.002 ( 7.451 0.000 2.559) 7.878 3.628 ( 7.888 0.000 -3.491) 8.626 3.750 ( -0.261 0.000 6.836) 6.841 3.897 ( 6.933 0.000 -7.698) 10.359 3.963 ( 20.540 0.000 -5.953) 21.386 4.107 ( 7.242 0.000 -3.534) 8.058 4.288 ( -7.582 0.000 3.044) 8.170 4.347 ( -6.366 0.000 0.792) 6.415 4.434 ( -0.880 0.000 -6.796) 6.852 4.671 ( 2.770 0.000 6.109) 6.708 5.000 ( -8.314 0.000 6.112) 10.319 5.082 ( 2.923 0.000 8.555) 9.041 5.216 ( -8.218 0.000 -1.203) 8.306 5.337 ( -14.534 0.000 -0.795) 14.556 5.608 ( -3.459 0.000 -7.195) 7.983 5.851 ( -2.339 0.000 0.157) 2.344 5.900 ( 2.052 0.000 0.073) 2.053 6.274 ( -4.439 0.000 14.649) 15.306 6.458 ( 0.962 0.000 1.471) 1.758 6.879 ( 8.253 0.000 -11.589) 14.227 7.012 ( -1.573 0.000 -1.281) 2.029 7.477 ( -1.885 0.000 9.241) 9.431 7.648 ( 2.357 0.000 2.673) 3.564 7.960 ( 6.523 0.000 -6.122) 8.946 8.424 ( -1.817 0.000 -4.673) 5.014 9.110 ( 3.312 0.000 -2.035) 3.887 9.114 ( 11.132 0.000 1.150) 11.191 9.397 ( -3.892 0.000 0.959) 4.008 9.450 ( -0.836 0.000 1.382) 1.615 9.498 ( -10.195 0.000 -3.933) 10.927 9.676 ( 1.093 0.000 -4.656) 4.782 10.165 ( -7.465 0.000 3.187) 8.117 10.173 ( -0.355 0.000 -1.968) 2.000 11.507 ( 10.024 0.000 -0.313) 10.028 11.754 ( 2.498 0.000 5.274) 5.836 11.853 ( -2.523 0.000 0.834) 2.658 11.954 ( 2.048 0.000 -0.064) 2.049 14.140 ( -5.984 0.000 2.162) 6.363 14.253 ( -7.681 0.000 1.531) 7.832 14.341 ( -2.141 0.000 16.654) 16.791 14.522 ( -8.176 0.000 9.725) 12.705 15.456 ( 5.694 0.000 -7.763) 9.627 15.589 ( -2.189 0.000 -19.150) 19.275 15.943 ( 1.050 0.000 -2.660) 2.859 15.963 ( 2.786 0.000 -0.436) 2.820 18.431 ( 2.580 0.000 3.474) 4.327 18.454 ( 4.175 0.000 4.890) 6.429 18.816 ( -2.359 0.000 -2.032) 3.113 18.863 ( -3.467 0.000 -2.006) 4.005 ======================= Grid point 194 (86/160) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -8.466 0.000 1.847) 8.665 1.906 ( 1.728 0.000 8.428) 8.604 2.006 ( 6.133 0.000 -1.399) 6.291 2.009 ( 11.543 0.000 5.053) 12.601 2.243 ( -12.042 0.000 -1.015) 12.085 2.401 ( 4.810 0.000 -10.489) 11.540 2.427 ( -4.762 0.000 0.920) 4.850 2.630 ( 1.460 0.000 -1.623) 2.183 2.731 ( 1.710 0.000 -4.716) 5.016 2.785 ( -2.063 0.000 -7.761) 8.030 2.902 ( 6.937 0.000 1.415) 7.080 3.069 ( 1.278 0.000 -5.684) 5.826 3.777 ( 5.470 0.000 6.733) 8.675 3.791 ( -2.339 0.000 2.509) 3.430 3.914 ( 6.589 0.000 -3.366) 7.399 4.027 ( -19.353 0.000 -2.997) 19.584 4.214 ( 5.147 0.000 -0.005) 5.147 4.262 ( -2.275 0.000 -0.644) 2.365 4.284 ( 15.025 0.000 -2.412) 15.217 4.296 ( -9.577 0.000 -3.289) 10.126 4.839 ( 1.133 0.000 4.993) 5.119 4.946 ( 4.674 0.000 -1.243) 4.837 4.981 ( -4.053 0.000 5.608) 6.919 5.140 ( -6.859 0.000 4.798) 8.370 5.367 ( 8.510 0.000 -1.930) 8.726 5.429 ( -3.296 0.000 -11.694) 12.150 5.839 ( -0.625 0.000 2.475) 2.552 5.912 ( -0.276 0.000 0.229) 0.358 6.362 ( -6.068 0.000 14.739) 15.939 6.555 ( 4.108 0.000 6.717) 7.873 6.877 ( -8.199 0.000 -5.769) 10.025 6.884 ( 7.747 0.000 -10.208) 12.814 7.556 ( -1.950 0.000 8.302) 8.528 7.737 ( 3.987 0.000 2.493) 4.703 8.026 ( 8.127 0.000 -3.427) 8.820 8.236 ( -7.845 0.000 -10.542) 13.141 9.135 ( -2.303 0.000 2.827) 3.646 9.246 ( -12.271 0.000 3.629) 12.796 9.324 ( 4.458 0.000 0.638) 4.504 9.435 ( 6.050 0.000 1.001) 6.132 9.475 ( 5.823 0.000 -3.577) 6.834 9.588 ( -1.798 0.000 -8.210) 8.405 10.081 ( -5.477 0.000 2.488) 6.016 10.179 ( 3.685 0.000 -1.739) 4.075 11.676 ( 7.505 0.000 2.934) 8.058 11.740 ( -8.939 0.000 0.540) 8.955 11.854 ( 1.325 0.000 2.689) 2.998 11.958 ( -0.083 0.000 -1.472) 1.475 14.120 ( 1.762 0.000 1.464) 2.291 14.168 ( -2.188 0.000 -0.777) 2.322 14.559 ( -0.555 0.000 22.390) 22.396 14.565 ( -4.213 0.000 14.837) 15.423 15.344 ( 1.574 0.000 -21.268) 21.326 15.407 ( 4.341 0.000 -15.174) 15.783 15.935 ( -0.382 0.000 0.083) 0.391 15.979 ( 0.032 0.000 -0.816) 0.817 18.493 ( -0.649 0.000 4.121) 4.172 18.527 ( -1.408 0.000 3.004) 3.318 18.785 ( 1.370 0.000 -1.541) 2.062 18.806 ( 0.218 0.000 -2.218) 2.229 ======================= Grid point 195 (87/160) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -17.439 0.000 -1.074) 17.472 1.796 ( -17.111 0.000 -4.366) 17.659 2.100 ( -2.673 0.000 8.383) 8.799 2.199 ( 11.074 0.000 1.161) 11.135 2.252 ( 5.078 0.000 2.978) 5.887 2.318 ( 7.165 0.000 -9.289) 11.731 2.495 ( 8.963 0.000 0.956) 9.013 2.679 ( -0.615 0.000 -4.748) 4.787 2.718 ( 8.669 0.000 -1.203) 8.752 2.797 ( 6.397 0.000 -3.680) 7.380 2.958 ( -1.921 0.000 -9.520) 9.712 3.037 ( 4.608 0.000 4.806) 6.658 3.575 ( -26.561 0.000 -1.840) 26.625 3.691 ( -10.191 0.000 -2.934) 10.605 3.834 ( -1.517 0.000 0.531) 1.607 4.064 ( -9.465 0.000 -1.897) 9.653 4.073 ( 2.917 0.000 5.197) 5.960 4.248 ( 4.921 0.000 0.570) 4.954 4.356 ( 9.265 0.000 1.450) 9.378 4.388 ( 1.345 0.000 -0.438) 1.415 4.842 ( 0.333 0.000 5.264) 5.275 4.926 ( -8.419 0.000 -5.138) 9.863 5.209 ( 10.233 0.000 9.901) 14.239 5.238 ( 2.546 0.000 0.584) 2.612 5.310 ( 14.977 0.000 -4.799) 15.727 5.430 ( 6.384 0.000 -8.140) 10.345 5.884 ( 1.636 0.000 2.827) 3.266 5.923 ( 1.901 0.000 -0.215) 1.913 6.384 ( -11.734 0.000 12.516) 17.156 6.648 ( -8.093 0.000 -6.546) 10.409 6.680 ( 0.979 0.000 3.892) 4.013 6.920 ( 7.886 0.000 -5.486) 9.606 7.597 ( -2.318 0.000 5.111) 5.612 7.801 ( 2.653 0.000 -2.606) 3.719 7.987 ( -7.095 0.000 -8.516) 11.085 8.167 ( 9.190 0.000 2.729) 9.586 9.046 ( -13.445 0.000 3.727) 13.952 9.047 ( -11.729 0.000 1.695) 11.851 9.365 ( -2.574 0.000 3.058) 3.997 9.478 ( 0.146 0.000 -5.903) 5.905 9.580 ( 10.411 0.000 -2.022) 10.606 9.596 ( 10.607 0.000 -2.729) 10.952 10.063 ( -0.260 0.000 3.173) 3.183 10.252 ( 6.704 0.000 -1.159) 6.803 11.543 ( -13.291 0.000 -1.341) 13.359 11.801 ( 2.109 0.000 3.421) 4.019 11.898 ( -0.352 0.000 3.140) 3.160 11.931 ( 0.099 0.000 -2.539) 2.541 14.177 ( 4.683 0.000 -0.922) 4.773 14.233 ( 9.231 0.000 1.591) 9.367 14.721 ( -0.438 0.000 18.725) 18.731 14.810 ( -1.038 0.000 20.877) 20.903 15.158 ( 4.957 0.000 -18.958) 19.596 15.254 ( 3.436 0.000 -21.928) 22.196 15.921 ( -2.693 0.000 1.428) 3.048 15.947 ( -2.378 0.000 -1.167) 2.649 18.487 ( -5.525 0.000 1.377) 5.694 18.505 ( -3.006 0.000 3.499) 4.613 18.818 ( 3.739 0.000 -2.215) 4.346 18.820 ( 3.832 0.000 -0.538) 3.870 ======================= Grid point 196 (88/160) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -22.880 0.000 4.138) 23.251 1.408 ( -23.420 0.000 -1.041) 23.443 2.180 ( 2.446 0.000 5.390) 5.919 2.181 ( 0.528 0.000 -8.118) 8.135 2.416 ( 14.566 0.000 -5.426) 15.544 2.447 ( -13.307 0.000 7.517) 15.283 2.611 ( -0.861 0.000 0.479) 0.985 2.656 ( -7.899 0.000 -0.966) 7.958 2.737 ( 10.591 0.000 4.953) 11.692 2.847 ( 7.572 0.000 -0.416) 7.583 2.878 ( 5.958 0.000 -5.191) 7.903 3.083 ( -1.136 0.000 -4.792) 4.925 3.302 ( -2.079 0.000 -7.356) 7.644 3.534 ( -6.104 0.000 8.952) 10.835 3.786 ( -6.283 0.000 3.097) 7.005 3.954 ( 0.322 0.000 -4.354) 4.366 4.051 ( -0.555 0.000 -6.362) 6.386 4.389 ( 0.351 0.000 0.325) 0.478 4.393 ( 2.290 0.000 2.034) 3.063 4.531 ( 10.414 0.000 -1.489) 10.520 4.739 ( -4.927 0.000 -2.415) 5.487 5.017 ( 5.733 0.000 16.488) 17.456 5.136 ( -3.967 0.000 -4.278) 5.834 5.413 ( 6.392 0.000 -11.516) 13.171 5.482 ( 8.727 0.000 7.694) 11.635 5.652 ( 16.365 0.000 0.856) 16.387 5.901 ( -1.465 0.000 -3.541) 3.832 5.966 ( 4.053 0.000 -1.500) 4.321 6.264 ( -14.333 0.000 11.752) 18.535 6.530 ( -2.012 0.000 -0.094) 2.015 6.673 ( 0.258 0.000 -4.837) 4.844 6.975 ( 0.663 0.000 -1.306) 1.465 7.605 ( -1.501 0.000 2.128) 2.604 7.761 ( -0.070 0.000 -6.939) 6.940 7.824 ( -4.047 0.000 -3.140) 5.123 8.361 ( 7.259 0.000 3.880) 8.231 8.813 ( -16.415 0.000 2.518) 16.607 8.933 ( -5.130 0.000 5.069) 7.212 9.348 ( -3.770 0.000 3.669) 5.261 9.455 ( 1.657 0.000 -2.069) 2.651 9.715 ( 8.296 0.000 -1.609) 8.451 9.726 ( 8.942 0.000 -3.105) 9.466 10.149 ( 5.838 0.000 2.877) 6.509 10.360 ( 7.109 0.000 -1.174) 7.205 11.281 ( -15.667 0.000 -0.765) 15.686 11.805 ( -3.027 0.000 -0.773) 3.124 11.912 ( -0.615 0.000 -1.104) 1.264 11.912 ( -1.766 0.000 1.610) 2.390 14.308 ( 11.304 0.000 0.204) 11.306 14.451 ( 14.366 0.000 0.812) 14.389 14.911 ( -2.322 0.000 0.172) 2.329 14.988 ( 4.261 0.000 14.047) 14.679 15.019 ( 0.996 0.000 -16.870) 16.900 15.148 ( 7.040 0.000 0.435) 7.053 15.867 ( -5.730 0.000 1.248) 5.865 15.878 ( -4.316 0.000 -0.523) 4.348 18.395 ( -6.376 0.000 0.429) 6.390 18.474 ( -3.581 0.000 0.137) 3.583 18.869 ( 4.697 0.000 -1.400) 4.901 18.887 ( 3.731 0.000 0.576) 3.776 ======================= Grid point 197 (89/160) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -20.967 0.000 16.704) 26.808 1.039 ( -23.628 0.000 8.688) 25.175 1.935 ( -39.883 0.000 18.793) 44.089 2.209 ( -4.497 0.000 -0.077) 4.498 2.233 ( 2.619 0.000 2.655) 3.729 2.527 ( 4.012 0.000 -6.597) 7.721 2.680 ( 13.705 0.000 2.443) 13.921 2.754 ( 5.972 0.000 2.282) 6.393 2.942 ( -1.162 0.000 -12.727) 12.780 2.961 ( 4.531 0.000 3.209) 5.553 3.003 ( 11.863 0.000 -1.726) 11.988 3.045 ( 13.944 0.000 7.463) 15.815 3.237 ( 2.727 0.000 0.391) 2.755 3.605 ( -2.245 0.000 9.355) 9.620 3.728 ( -7.647 0.000 9.295) 12.036 3.948 ( 6.078 0.000 -8.144) 10.162 3.963 ( 2.099 0.000 -10.106) 10.322 4.305 ( -4.349 0.000 -4.649) 6.365 4.449 ( 3.582 0.000 1.486) 3.878 4.635 ( -8.645 0.000 -4.577) 9.782 4.682 ( 9.348 0.000 0.248) 9.351 5.084 ( 2.804 0.000 -0.977) 2.970 5.236 ( -1.124 0.000 -4.074) 4.226 5.496 ( 13.679 0.000 7.642) 15.669 5.647 ( -13.683 0.000 -0.086) 13.683 5.699 ( 9.340 0.000 6.750) 11.524 5.897 ( 5.584 0.000 -4.884) 7.418 6.010 ( 4.140 0.000 -3.739) 5.579 6.260 ( -7.231 0.000 16.705) 18.203 6.549 ( 3.659 0.000 0.049) 3.659 6.614 ( 3.475 0.000 -10.355) 10.923 6.845 ( -12.321 0.000 -3.790) 12.891 7.604 ( -0.225 0.000 0.439) 0.493 7.681 ( 0.756 0.000 -6.295) 6.340 7.774 ( -1.392 0.000 2.110) 2.528 8.445 ( 1.384 0.000 -1.823) 2.289 8.605 ( -12.482 0.000 4.862) 13.395 9.007 ( 3.182 0.000 7.077) 7.760 9.338 ( -4.040 0.000 7.052) 8.128 9.461 ( 1.617 0.000 -2.072) 2.628 9.833 ( 9.033 0.000 -4.158) 9.944 9.836 ( 6.043 0.000 2.081) 6.392 10.300 ( 8.771 0.000 0.760) 8.803 10.448 ( 5.583 0.000 -1.985) 5.926 11.031 ( -14.603 0.000 3.176) 14.945 11.709 ( -3.989 0.000 -5.036) 6.424 11.825 ( -8.071 0.000 -6.684) 10.479 11.852 ( -4.561 0.000 -1.843) 4.919 14.556 ( 16.248 0.000 -0.146) 16.249 14.704 ( 15.483 0.000 -2.449) 15.675 14.740 ( 2.585 0.000 -20.167) 20.332 14.862 ( -0.695 0.000 -1.695) 1.832 15.272 ( 5.271 0.000 1.337) 5.438 15.381 ( 6.626 0.000 26.396) 27.215 15.756 ( -8.760 0.000 0.951) 8.812 15.798 ( -6.008 0.000 1.725) 6.251 18.292 ( -5.753 0.000 -0.152) 5.755 18.360 ( -6.026 0.000 -7.431) 9.567 18.940 ( 4.466 0.000 0.110) 4.468 18.954 ( 2.612 0.000 1.645) 3.086 ======================= Grid point 198 (90/160) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -12.275 0.000 22.849) 25.938 0.962 ( -12.530 0.000 23.547) 26.673 1.698 ( -24.435 0.000 41.546) 48.199 2.074 ( -5.982 0.000 -6.519) 8.848 2.267 ( -0.681 0.000 -9.160) 9.185 2.451 ( -1.109 0.000 -7.140) 7.226 2.781 ( 4.293 0.000 -12.559) 13.273 2.875 ( 1.063 0.000 0.343) 1.117 3.009 ( 12.719 0.000 6.402) 14.239 3.107 ( 3.327 0.000 8.780) 9.390 3.170 ( 11.426 0.000 0.241) 11.429 3.351 ( 14.971 0.000 1.209) 15.019 3.486 ( 13.716 0.000 12.834) 18.784 3.697 ( 2.199 0.000 11.721) 11.926 3.766 ( -3.215 0.000 9.935) 10.442 3.893 ( -0.422 0.000 -3.815) 3.838 3.946 ( 6.134 0.000 -6.537) 8.964 4.196 ( -1.442 0.000 -4.290) 4.526 4.340 ( -11.960 0.000 -11.010) 16.256 4.578 ( 7.738 0.000 2.670) 8.186 4.821 ( 3.474 0.000 -3.123) 4.671 5.054 ( 0.146 0.000 -14.042) 14.043 5.106 ( -2.712 0.000 -0.516) 2.761 5.477 ( -7.400 0.000 7.405) 10.468 5.650 ( -1.133 0.000 0.235) 1.157 5.852 ( -3.557 0.000 -2.879) 4.576 5.938 ( -1.477 0.000 -5.334) 5.535 6.085 ( 9.045 0.000 2.733) 9.448 6.370 ( -3.052 0.000 14.631) 14.946 6.398 ( -6.300 0.000 -11.761) 13.342 6.604 ( 2.630 0.000 -1.646) 3.103 6.743 ( 6.500 0.000 -1.197) 6.609 7.607 ( 0.109 0.000 -0.049) 0.119 7.641 ( 1.112 0.000 -3.764) 3.925 7.822 ( 1.204 0.000 6.390) 6.502 8.406 ( -1.089 0.000 -4.058) 4.202 8.520 ( -6.769 0.000 8.163) 10.605 9.091 ( 2.515 0.000 -2.342) 3.437 9.372 ( -2.396 0.000 3.579) 4.307 9.460 ( 1.710 0.000 -2.884) 3.353 9.968 ( 4.183 0.000 5.675) 7.050 9.972 ( 11.311 0.000 1.354) 11.392 10.429 ( 6.122 0.000 -1.607) 6.329 10.509 ( 4.984 0.000 -3.579) 6.136 10.896 ( -9.768 0.000 9.603) 13.698 11.431 ( -24.419 0.000 -5.754) 25.088 11.563 ( -3.296 0.000 -8.893) 9.484 11.727 ( -5.305 0.000 -4.314) 6.838 14.586 ( 10.719 0.000 -12.411) 16.399 14.780 ( -3.104 0.000 -3.370) 4.582 14.939 ( 11.667 0.000 -1.489) 11.762 14.984 ( 22.225 0.000 3.462) 22.493 15.395 ( 9.228 0.000 0.964) 9.278 15.542 ( -11.482 0.000 1.156) 11.540 15.698 ( -9.410 0.000 2.146) 9.652 15.774 ( 1.225 0.000 11.713) 11.776 18.116 ( -9.706 0.000 -5.332) 11.074 18.207 ( -3.693 0.000 -0.561) 3.736 19.010 ( 1.227 0.000 2.276) 2.586 19.013 ( 3.124 0.000 1.118) 3.318 ======================= Grid point 199 (91/160) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -5.166 12.092 19.496) 23.516 1.347 ( 0.380 15.475 21.400) 26.412 1.879 ( -3.594 2.560 -12.840) 13.577 2.099 ( 0.599 7.210 -8.842) 11.425 2.293 ( 1.457 18.336 29.975) 35.168 2.410 ( 0.125 0.396 -0.819) 0.918 2.680 ( 2.317 -0.159 -9.771) 10.043 2.832 ( -0.742 -4.018 3.041) 5.094 2.998 ( -1.309 -8.740 -1.290) 8.931 3.148 ( 3.568 -7.687 6.976) 10.977 3.409 ( 5.443 -5.014 -4.465) 8.643 3.502 ( 0.896 -5.253 -3.529) 6.392 3.548 ( 3.613 -1.671 3.225) 5.123 3.731 ( 2.728 -4.549 -0.218) 5.309 3.755 ( -3.150 -6.947 6.201) 9.830 3.902 ( -3.900 7.749 -2.341) 8.985 4.049 ( 2.105 0.924 6.777) 7.156 4.212 ( 5.272 -2.890 11.663) 13.122 4.316 ( 1.551 7.621 0.350) 7.785 4.578 ( -7.599 -2.065 -9.174) 12.090 4.643 ( -8.793 3.032 -8.148) 12.365 4.927 ( 7.431 -7.197 -7.461) 12.755 5.191 ( 5.781 -0.336 5.382) 7.906 5.430 ( 2.250 -1.650 -0.402) 2.819 5.636 ( -3.429 1.144 4.098) 5.465 5.677 ( -7.637 -1.155 -0.533) 7.743 5.739 ( -1.231 -1.531 -3.350) 3.884 5.958 ( -6.155 -0.382 -8.601) 10.583 6.409 ( -5.405 -3.162 7.337) 9.647 6.529 ( 13.818 -0.106 -0.625) 13.832 6.751 ( -2.220 12.249 0.346) 12.453 6.857 ( 2.133 6.169 -1.179) 6.633 7.534 ( 0.779 -4.824 1.240) 5.041 7.620 ( 1.085 -3.403 0.384) 3.592 8.141 ( 0.429 15.094 -4.226) 15.680 8.260 ( -3.482 -3.560 -5.308) 7.278 8.627 ( -0.366 5.236 9.667) 11.000 9.062 ( 1.505 1.109 -7.158) 7.398 9.348 ( 0.112 1.500 0.407) 1.558 9.460 ( -0.746 1.118 -4.556) 4.750 10.039 ( -1.946 -5.775 7.716) 9.833 10.085 ( 2.056 -4.986 5.278) 7.546 10.384 ( -3.548 -4.023 -3.832) 6.592 10.476 ( 2.960 -3.206 -6.321) 7.681 10.987 ( -1.796 6.290 12.392) 14.012 11.200 ( -0.003 -0.913 11.981) 12.015 11.477 ( 1.467 4.121 -10.486) 11.362 11.617 ( -0.583 0.867 -8.131) 8.197 14.565 ( 3.914 -6.909 -5.454) 9.633 14.577 ( -3.650 -4.080 -6.061) 8.167 15.078 ( -5.752 -3.055 4.728) 8.048 15.178 ( 7.982 -13.387 0.240) 15.588 15.310 ( 1.912 -8.647 1.131) 8.928 15.409 ( -4.314 5.426 -3.301) 7.677 15.816 ( 11.040 10.261 2.221) 15.235 15.872 ( -11.805 9.710 0.277) 15.287 18.094 ( -0.377 3.948 -0.063) 3.966 18.179 ( 0.940 2.173 -2.094) 3.161 19.045 ( -0.206 -0.035 1.607) 1.620 19.052 ( 0.688 -0.831 1.287) 1.679 ======================= Grid point 200 (92/160) ======================= q-point: ( 0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 5.516 5.310 19.517) 20.965 1.646 ( 5.150 7.617 19.930) 21.949 1.721 ( 2.384 4.629 -9.702) 11.010 1.939 ( 2.165 11.379 -18.339) 21.691 2.393 ( -2.050 -2.571 1.832) 3.764 2.494 ( 1.033 4.468 -4.728) 6.587 2.767 ( -8.353 -4.324 4.885) 10.598 2.841 ( -3.951 1.851 0.311) 4.374 2.960 ( 8.783 5.914 14.944) 18.315 3.264 ( -0.946 -7.597 3.175) 8.288 3.360 ( -3.008 -12.290 -8.110) 15.028 3.432 ( 10.988 -0.312 -13.455) 17.375 3.606 ( -7.498 -11.476 -0.543) 13.719 3.668 ( 1.188 1.361 2.155) 2.812 3.709 ( -14.847 4.577 -3.893) 16.016 3.763 ( -3.674 0.149 2.848) 4.651 4.100 ( -8.634 -0.386 5.675) 10.339 4.262 ( -1.901 8.036 -2.444) 8.612 4.477 ( 6.316 -1.016 10.560) 12.347 4.483 ( -1.618 -0.673 1.163) 2.103 4.521 ( 1.691 0.974 -0.515) 2.018 4.848 ( 1.162 -1.288 -12.314) 12.435 5.277 ( -5.746 1.771 -8.716) 10.589 5.425 ( 5.756 -6.359 2.964) 9.075 5.565 ( -2.555 -3.737 5.126) 6.839 5.682 ( -0.979 -2.210 5.384) 5.902 5.773 ( 1.751 0.895 0.318) 1.992 5.937 ( 9.893 2.888 0.374) 10.313 6.311 ( -10.303 -4.237 0.481) 11.151 6.653 ( -0.769 10.640 0.988) 10.713 6.773 ( 6.744 6.816 -1.119) 9.654 6.844 ( 1.206 5.849 -4.928) 7.743 7.553 ( -1.443 -3.603 2.335) 4.529 7.602 ( -1.021 -1.045 -3.014) 3.349 8.141 ( -2.425 -0.046 -3.842) 4.544 8.171 ( 2.309 4.318 3.074) 5.782 8.763 ( 1.962 3.771 10.968) 11.763 8.975 ( 1.124 3.022 -9.890) 10.402 9.361 ( 0.111 1.586 1.256) 2.026 9.447 ( 3.226 -0.107 -1.306) 3.482 9.989 ( -9.066 -6.752 3.689) 11.891 10.164 ( -5.900 -5.029 -3.430) 8.477 10.199 ( -7.280 -1.817 5.560) 9.338 10.429 ( -1.984 -2.416 -4.500) 5.479 11.172 ( 6.301 4.927 11.181) 13.748 11.368 ( 5.726 1.716 -5.494) 8.119 11.469 ( 8.686 1.497 3.032) 9.321 11.580 ( 7.604 -0.364 -7.535) 10.711 14.349 ( -9.434 -2.073 -3.819) 10.387 14.631 ( -1.142 -9.163 -0.369) 9.241 14.947 ( -9.128 2.425 1.812) 9.617 15.117 ( -10.560 -0.706 -3.796) 11.243 15.340 ( 3.839 -3.937 1.250) 5.639 15.539 ( 4.371 -6.951 0.122) 8.212 15.647 ( -2.661 5.088 0.355) 5.753 15.999 ( 5.459 7.805 2.685) 9.896 18.096 ( 0.009 0.907 0.438) 1.007 18.228 ( 6.777 3.944 -1.872) 8.062 19.038 ( -2.129 0.022 0.448) 2.176 19.059 ( -1.169 -0.801 0.500) 1.503 ======================= Grid point 201 (93/160) ======================= q-point: ( 0.20 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 7.479 7.184 -4.729) 11.397 1.766 ( 3.193 10.731 -11.607) 16.127 1.852 ( 8.311 5.668 9.521) 13.851 1.962 ( 6.328 0.911 13.396) 14.844 2.310 ( -9.195 -2.230 5.563) 10.976 2.475 ( 3.477 1.796 -3.870) 5.504 2.636 ( 0.717 -6.716 -5.181) 8.512 2.772 ( -7.185 -4.508 1.099) 8.553 2.975 ( -16.783 -8.457 -13.136) 22.929 3.260 ( -15.380 0.179 -1.827) 15.489 3.292 ( -2.455 11.667 5.921) 13.312 3.378 ( 8.552 -1.665 -4.258) 9.698 3.473 ( 0.024 3.042 -7.448) 8.046 3.489 ( 2.155 -9.670 -7.695) 12.545 3.687 ( -3.500 2.637 2.795) 5.198 3.746 ( -0.054 -11.610 -1.338) 11.687 4.152 ( 6.556 -1.527 3.256) 7.478 4.276 ( 3.596 8.893 6.034) 11.332 4.351 ( -4.777 1.624 -8.010) 9.467 4.506 ( -5.911 -1.235 7.334) 9.500 4.684 ( -0.765 1.896 1.714) 2.668 4.761 ( 0.937 1.562 -2.332) 2.960 5.128 ( -2.187 5.464 -0.851) 5.946 5.490 ( 0.095 -11.133 0.421) 11.142 5.637 ( -0.041 -3.691 6.079) 7.112 5.694 ( -1.863 -5.880 0.534) 6.191 5.774 ( -2.579 -2.104 0.776) 3.417 6.009 ( -9.302 -0.937 -0.866) 9.389 6.276 ( 6.842 7.528 4.934) 11.306 6.625 ( -4.136 10.777 3.668) 12.112 6.811 ( 3.726 8.849 -3.515) 10.224 6.897 ( 11.199 5.883 -5.769) 13.904 7.491 ( -4.641 -2.702 -2.944) 6.124 7.579 ( -0.008 -2.586 0.426) 2.621 8.070 ( -0.909 5.020 -2.542) 5.699 8.282 ( 3.355 0.029 5.151) 6.147 8.897 ( 2.899 0.834 -5.422) 6.205 8.933 ( 4.043 1.398 5.784) 7.195 9.392 ( 2.221 0.727 0.747) 2.453 9.521 ( 4.372 0.350 2.147) 4.883 9.856 ( -9.363 -4.322 -3.036) 10.750 9.865 ( -13.664 -3.514 -4.337) 14.760 10.236 ( -3.961 -2.333 6.697) 8.123 10.320 ( -5.287 -2.008 -2.329) 6.117 11.358 ( 6.513 3.109 -8.819) 11.396 11.419 ( 7.896 2.709 8.490) 11.906 11.676 ( 9.118 -2.540 0.804) 9.500 11.689 ( 9.674 -1.024 0.695) 9.753 14.202 ( -6.017 1.113 1.957) 6.424 14.526 ( -10.551 -4.622 3.395) 12.009 14.739 ( -16.083 10.531 0.032) 19.225 14.966 ( -9.800 9.447 -0.981) 13.647 15.282 ( 0.408 -5.302 -1.700) 5.583 15.629 ( 7.895 -9.337 -0.001) 12.227 15.784 ( 8.372 -5.986 0.855) 10.327 16.036 ( -1.670 3.337 -2.713) 4.613 18.126 ( 2.885 0.399 1.378) 3.223 18.332 ( 6.467 4.584 -0.152) 7.928 18.985 ( -3.534 0.251 -0.903) 3.656 19.028 ( -2.420 -0.018 -0.424) 2.457 ======================= Grid point 202 (94/160) ======================= q-point: ( 0.30 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 5.570 6.865 -10.918) 14.048 1.796 ( 11.066 8.802 -6.960) 15.760 1.998 ( -7.498 3.396 7.290) 10.995 2.103 ( 2.090 1.214 10.136) 10.421 2.385 ( -12.773 0.799 -9.146) 15.730 2.452 ( 4.530 0.309 9.653) 10.667 2.585 ( 1.247 -1.464 1.382) 2.368 2.650 ( 4.260 -11.092 -2.533) 12.148 2.718 ( -2.883 -7.474 -2.254) 8.322 2.919 ( -18.486 2.616 -0.288) 18.672 3.166 ( -8.216 4.145 -7.696) 11.996 3.306 ( -6.858 7.375 -4.577) 11.062 3.498 ( 13.562 -1.234 -9.581) 16.650 3.621 ( 14.058 -2.905 -4.273) 14.977 3.679 ( -0.839 -7.624 -0.905) 7.723 3.735 ( 3.204 -6.632 -2.486) 7.773 4.173 ( 1.284 -4.834 -4.376) 6.646 4.253 ( 2.317 3.439 -1.618) 4.452 4.418 ( -8.992 -1.232 4.366) 10.072 4.567 ( 6.079 4.904 2.180) 8.109 4.635 ( 2.190 8.324 0.434) 8.618 4.738 ( -7.735 -9.117 7.613) 14.175 5.149 ( -1.226 6.989 5.758) 9.138 5.411 ( -7.347 -4.293 -2.741) 8.940 5.608 ( -10.077 -5.275 1.061) 11.424 5.664 ( -1.752 -3.016 0.743) 3.567 5.740 ( -1.283 -3.562 1.588) 4.105 5.857 ( -4.601 -2.939 -1.814) 5.753 6.385 ( -0.530 12.314 4.748) 13.208 6.596 ( -3.229 10.769 2.122) 11.441 6.903 ( 11.440 3.890 -6.909) 13.919 7.027 ( 7.044 9.612 0.459) 11.925 7.388 ( -3.090 -4.952 -0.822) 5.895 7.601 ( 1.502 -0.512 1.779) 2.384 8.042 ( 0.306 7.644 -1.777) 7.854 8.379 ( 2.847 -2.340 1.747) 4.078 8.926 ( 7.582 -1.822 -3.428) 8.519 9.059 ( 4.030 0.255 2.701) 4.858 9.434 ( 1.518 1.365 -0.392) 2.079 9.563 ( -10.379 -4.261 -2.591) 11.515 9.608 ( -1.377 -0.893 0.495) 1.714 9.701 ( -5.689 -1.103 -3.359) 6.698 10.206 ( -3.566 -2.208 -0.489) 4.222 10.227 ( -6.266 -1.513 3.380) 7.279 11.395 ( 8.297 2.164 -5.600) 10.241 11.628 ( 5.774 1.520 6.884) 9.112 11.804 ( 3.662 -3.004 1.512) 4.972 11.842 ( 7.149 -2.070 0.845) 7.491 14.203 ( -2.748 4.445 10.149) 11.415 14.404 ( -8.825 2.084 3.695) 9.791 14.499 ( -12.324 10.756 2.425) 16.537 14.732 ( -15.208 10.862 1.634) 18.760 15.361 ( 8.810 -5.292 -3.195) 10.762 15.729 ( 5.499 -7.712 -3.722) 10.177 15.865 ( -1.802 -1.720 -5.843) 6.352 15.921 ( 1.721 -4.935 -4.850) 7.130 18.227 ( 5.205 -1.105 3.632) 6.443 18.426 ( 2.942 3.280 1.902) 4.799 18.912 ( -2.897 1.478 -1.488) 3.576 18.972 ( -2.939 1.427 -1.185) 3.476 ======================= Grid point 203 (95/160) ======================= q-point: ( 0.40 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 3.587 -0.864 -0.602) 3.739 1.893 ( 5.284 1.317 -3.068) 6.250 1.993 ( -3.304 8.037 0.742) 8.722 2.053 ( -1.434 8.586 3.214) 9.280 2.302 ( 4.646 -2.831 -2.713) 6.080 2.418 ( -4.793 -2.724 -0.429) 5.530 2.612 ( -12.153 1.835 0.735) 12.313 2.695 ( -3.701 -0.570 -0.990) 3.874 2.715 ( 3.058 -0.827 4.791) 5.743 2.814 ( 4.539 -6.718 1.841) 8.314 2.975 ( -0.976 4.729 -9.308) 10.486 3.110 ( -4.151 6.285 -7.319) 10.502 3.584 ( 6.668 -4.549 -3.513) 8.803 3.672 ( 2.658 -10.080 -0.868) 10.461 3.788 ( 2.613 -3.160 0.923) 4.203 3.874 ( 20.352 -4.769 -3.932) 21.270 4.138 ( 0.831 -2.524 -5.071) 5.725 4.267 ( -9.358 -3.291 0.046) 9.919 4.326 ( 0.481 -1.253 4.419) 4.619 4.556 ( 2.625 8.896 -7.955) 12.219 4.642 ( -0.663 -0.618 3.128) 3.257 4.762 ( -8.607 -11.702 9.815) 17.531 5.168 ( -6.203 1.914 -0.618) 6.521 5.305 ( 1.939 3.690 0.409) 4.189 5.419 ( -12.119 7.830 3.325) 14.807 5.584 ( -2.768 -2.941 -7.601) 8.607 5.751 ( -2.101 -7.004 3.392) 8.061 5.813 ( 0.085 -4.279 0.325) 4.292 6.432 ( -0.848 10.070 6.948) 12.264 6.592 ( -0.713 11.676 3.551) 12.225 6.966 ( 6.785 7.632 -9.005) 13.615 7.058 ( -1.243 4.323 -3.413) 5.646 7.423 ( 1.888 -3.284 6.643) 7.647 7.673 ( 3.395 1.788 2.923) 4.824 8.032 ( 1.438 6.094 -2.498) 6.742 8.385 ( -1.071 -3.323 -4.850) 5.976 9.041 ( 6.666 -3.985 -0.352) 7.774 9.150 ( 6.892 0.949 0.290) 6.963 9.390 ( -3.422 -0.748 1.544) 3.828 9.448 ( -12.095 -2.946 1.755) 12.571 9.489 ( 0.685 0.969 -3.738) 3.922 9.658 ( 1.184 -0.323 -4.789) 4.944 10.149 ( -7.018 -1.422 2.671) 7.642 10.157 ( -0.402 -1.783 -1.770) 2.544 11.505 ( 8.571 0.248 -0.465) 8.587 11.770 ( 2.383 1.157 5.468) 6.076 11.827 ( -1.505 -2.055 -0.175) 2.554 11.938 ( 3.239 -1.486 0.296) 3.576 14.250 ( -4.181 9.997 3.227) 11.307 14.381 ( -8.335 10.198 4.225) 13.832 14.391 ( -1.844 5.546 14.519) 15.652 14.568 ( -8.626 5.268 7.382) 12.517 15.439 ( 6.664 -2.004 -7.436) 10.184 15.593 ( -2.206 0.237 -18.065) 18.201 15.833 ( 5.555 -7.741 -3.035) 9.999 15.931 ( -0.839 -5.402 -0.109) 5.468 18.367 ( 6.111 -2.777 3.242) 7.454 18.458 ( -2.801 -0.746 3.177) 4.301 18.870 ( 0.008 3.929 -1.320) 4.145 18.907 ( -2.852 3.181 -1.351) 4.480 ======================= Grid point 204 (96/160) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.170 -5.074 8.205) 9.648 1.837 ( -3.185 1.993 0.945) 3.874 2.024 ( 3.292 0.983 -4.532) 5.687 2.164 ( 2.644 5.906 1.132) 6.570 2.237 ( 0.233 3.216 -0.537) 3.269 2.417 ( 0.933 0.767 -3.072) 3.301 2.461 ( -2.949 3.449 -0.973) 4.641 2.643 ( -0.203 1.117 -0.714) 1.341 2.738 ( -0.375 0.666 -4.807) 4.868 2.788 ( -0.641 -0.847 0.436) 1.148 2.936 ( 5.005 3.409 -2.912) 6.720 3.054 ( 2.399 -0.799 -8.224) 8.604 3.689 ( -1.429 -8.096 1.546) 8.365 3.750 ( 4.508 -6.791 5.718) 9.956 3.772 ( 1.874 -8.129 -2.460) 8.698 3.957 ( -8.766 -6.190 -5.084) 11.875 4.146 ( -4.101 -3.594 2.910) 6.181 4.207 ( 6.910 -1.741 0.709) 7.161 4.338 ( -1.761 3.717 2.142) 4.638 4.493 ( 0.365 9.723 -8.784) 13.108 4.699 ( -3.632 -9.175 6.997) 12.097 4.817 ( 10.552 -6.554 6.805) 14.164 5.015 ( -1.698 0.981 -3.027) 3.607 5.241 ( -9.456 4.470 -3.177) 10.931 5.409 ( 4.564 0.816 -2.745) 5.388 5.456 ( 0.414 5.137 -6.265) 8.113 5.761 ( -1.795 -5.883 4.721) 7.754 5.833 ( 0.691 -4.468 1.433) 4.743 6.519 ( -2.891 10.145 11.403) 15.534 6.659 ( 2.277 9.411 5.440) 11.106 6.896 ( -4.730 4.244 -5.757) 8.575 6.994 ( 4.251 7.646 -10.030) 13.309 7.532 ( -0.036 -1.578 7.823) 7.980 7.757 ( 2.832 1.102 0.590) 3.096 8.042 ( 3.046 1.818 -1.533) 3.865 8.247 ( -3.602 1.423 -8.563) 9.398 9.109 ( -1.109 -2.417 3.063) 4.057 9.220 ( -13.060 -2.685 2.549) 13.575 9.320 ( 6.604 -0.654 1.018) 6.714 9.410 ( 3.463 -2.657 1.125) 4.508 9.499 ( 4.761 2.456 -3.224) 6.252 9.586 ( -0.919 0.586 -6.987) 7.071 10.068 ( -5.085 -1.420 2.230) 5.731 10.161 ( 3.327 -1.814 -1.817) 4.203 11.637 ( 2.631 -2.165 3.041) 4.566 11.754 ( -3.019 0.297 -1.744) 3.500 11.849 ( -0.285 -0.123 4.022) 4.034 11.965 ( 0.642 0.187 -0.815) 1.054 14.250 ( 2.410 12.064 1.463) 12.389 14.292 ( -3.358 11.143 -0.234) 11.640 14.564 ( -3.483 1.791 17.735) 18.162 14.635 ( -0.728 5.573 17.640) 18.514 15.342 ( 1.548 -0.371 -20.220) 20.283 15.415 ( 3.923 0.701 -14.540) 15.076 15.869 ( -3.103 -6.193 0.183) 6.929 15.914 ( 2.948 -6.020 -1.044) 6.784 18.418 ( -5.928 -4.088 3.588) 8.045 18.497 ( 5.816 -2.490 1.263) 6.452 18.849 ( -2.119 4.783 -0.592) 5.264 18.876 ( 1.834 4.486 -1.301) 5.018 ======================= Grid point 205 (97/160) ======================= q-point: (-0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -16.455 1.641 -1.720) 16.626 1.824 ( -14.864 2.311 -3.268) 15.393 2.029 ( 4.462 -4.893 8.429) 10.719 2.200 ( 7.660 -0.364 -2.383) 8.031 2.321 ( 2.271 5.241 -1.451) 5.893 2.390 ( 4.420 5.026 -5.923) 8.937 2.511 ( 9.684 1.320 1.863) 9.949 2.667 ( 2.274 -0.486 -0.399) 2.359 2.735 ( 3.247 1.736 -1.502) 3.977 2.864 ( 5.261 5.089 0.258) 7.324 2.943 ( 1.235 -1.846 -7.417) 7.743 3.043 ( 7.535 1.829 -1.019) 7.821 3.493 ( -13.570 -13.859 -1.619) 19.464 3.574 ( -25.487 0.569 -2.995) 25.668 3.836 ( 2.010 -3.011 2.353) 4.318 3.949 ( 1.261 -8.524 2.818) 9.066 4.078 ( -3.495 -1.380 -1.673) 4.113 4.256 ( 3.669 -1.640 1.508) 4.293 4.403 ( 6.604 2.805 3.314) 7.903 4.445 ( 0.735 7.592 -2.272) 7.959 4.737 ( -0.756 -8.565 3.644) 9.339 4.925 ( -7.215 -0.274 -4.732) 8.632 5.140 ( 13.834 -5.548 6.900) 16.425 5.206 ( 12.584 -4.997 -1.665) 13.642 5.344 ( -3.000 6.346 -4.811) 8.510 5.497 ( 7.594 3.853 -2.549) 8.889 5.797 ( -0.590 -5.899 3.853) 7.070 5.870 ( 2.522 -3.975 0.086) 4.708 6.533 ( -11.323 10.129 7.308) 16.858 6.685 ( -5.489 5.000 1.034) 7.496 6.828 ( 2.655 10.958 1.578) 11.385 6.960 ( 5.647 4.578 -8.669) 11.314 7.586 ( -2.815 -1.291 5.044) 5.918 7.731 ( -2.519 -3.340 -5.474) 6.890 8.104 ( 1.957 5.173 1.096) 5.639 8.165 ( 5.446 2.952 -3.053) 6.906 9.011 ( -12.418 -2.811 2.083) 12.902 9.052 ( -10.774 0.160 3.108) 11.214 9.388 ( -1.652 1.734 3.782) 4.476 9.482 ( 1.057 -0.413 -4.811) 4.943 9.544 ( 9.504 -3.317 -1.509) 10.179 9.594 ( 8.792 1.106 -4.064) 9.749 10.054 ( 0.126 -1.020 3.010) 3.180 10.226 ( 6.187 -2.619 -1.147) 6.815 11.532 ( -12.013 -0.514 -0.924) 12.060 11.799 ( 3.733 -0.684 1.692) 4.155 11.858 ( -3.428 -1.895 2.920) 4.885 11.949 ( -0.961 0.465 -1.431) 1.786 14.286 ( 3.291 9.922 -0.497) 10.466 14.377 ( 10.205 12.966 2.105) 16.634 14.730 ( -0.969 1.136 18.656) 18.715 14.860 ( -0.409 4.525 18.826) 19.367 15.156 ( 3.994 -0.207 -18.074) 18.512 15.267 ( 2.932 1.133 -20.831) 21.067 15.778 ( -7.200 -9.662 0.750) 12.073 15.950 ( 1.287 -3.354 -0.804) 3.681 18.357 ( -5.867 -4.288 3.210) 7.944 18.579 ( 2.854 -0.244 -0.557) 2.918 18.828 ( 0.405 3.714 0.061) 3.737 18.899 ( 2.215 3.697 -0.885) 4.400 ======================= Grid point 206 (98/160) ======================= q-point: (-0.30 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -20.138 4.940 2.596) 20.897 1.506 ( -20.257 7.603 2.592) 21.792 2.178 ( 5.451 -0.079 4.462) 7.045 2.257 ( 3.621 4.045 -6.594) 8.541 2.401 ( 12.045 -1.263 -3.349) 12.566 2.430 ( -0.062 -1.371 -0.181) 1.384 2.686 ( -1.695 2.666 -0.790) 3.256 2.712 ( 3.234 -1.380 2.394) 4.253 2.739 ( -11.223 7.297 0.783) 13.409 2.811 ( 6.259 2.625 1.330) 6.916 2.950 ( 5.742 4.360 -3.315) 7.935 3.106 ( -2.898 2.363 -2.464) 4.478 3.209 ( -6.208 -6.691 -6.574) 11.249 3.379 ( -0.309 -9.117 9.040) 12.843 3.846 ( -2.348 -4.588 -0.750) 5.209 3.929 ( 1.027 1.450 -1.763) 2.503 3.987 ( -4.565 -3.455 -3.073) 6.498 4.396 ( 1.278 -3.892 0.343) 4.110 4.415 ( -0.502 0.978 -3.593) 3.757 4.514 ( 8.921 2.694 -1.211) 9.398 4.771 ( 3.866 2.325 -0.562) 4.547 4.926 ( 3.600 -7.281 13.860) 16.065 5.219 ( -3.279 5.774 -6.393) 9.218 5.324 ( 4.067 -5.936 -4.716) 8.603 5.416 ( 8.483 -5.831 7.524) 12.750 5.692 ( 12.657 2.125 0.835) 12.862 5.800 ( -1.043 -6.549 -0.301) 6.639 5.907 ( 3.130 -4.525 -2.720) 6.138 6.356 ( -13.454 6.945 5.665) 16.166 6.650 ( -2.946 9.025 2.988) 9.953 6.822 ( 0.351 12.106 -5.494) 13.299 7.006 ( 2.707 4.084 -0.405) 4.917 7.528 ( -5.407 -7.530 -2.850) 9.698 7.625 ( -2.902 -0.679 -1.668) 3.416 8.126 ( 3.710 15.673 -2.815) 16.350 8.300 ( 6.229 -4.919 3.090) 8.517 8.808 ( -14.094 -0.782 1.843) 14.236 8.949 ( -4.723 1.707 4.952) 7.053 9.362 ( -4.066 1.640 2.117) 4.869 9.501 ( 2.247 3.456 0.811) 4.202 9.663 ( 7.972 -5.426 -3.167) 10.150 9.699 ( 8.209 -1.336 -2.644) 8.727 10.141 ( 5.973 -0.909 2.464) 6.525 10.328 ( 6.781 -3.162 -0.855) 7.531 11.291 ( -14.682 1.333 -0.503) 14.751 11.798 ( -6.286 -3.176 1.488) 7.198 11.847 ( -1.483 -2.190 -0.399) 2.675 11.895 ( -2.275 -1.568 -1.582) 3.184 14.392 ( 9.312 7.788 0.378) 12.145 14.633 ( 17.316 15.290 0.932) 23.119 14.931 ( -2.658 1.717 0.295) 3.178 14.972 ( 3.052 -1.358 12.987) 13.410 15.035 ( 0.313 1.482 -20.036) 20.093 15.161 ( 6.007 1.010 5.001) 7.881 15.661 ( -7.433 -12.056 1.191) 14.213 15.924 ( -3.286 -2.418 -0.871) 4.172 18.298 ( -4.669 -2.367 1.707) 5.506 18.569 ( -1.878 2.601 -2.407) 4.011 18.867 ( 3.637 1.266 0.248) 3.859 18.930 ( 2.165 2.226 0.024) 3.105 ======================= Grid point 207 (99/160) ======================= q-point: (-0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -15.164 12.700 14.630) 24.603 1.258 ( -18.192 13.855 12.366) 25.997 2.161 ( -29.971 19.746 9.605) 37.155 2.250 ( -3.099 4.780 -0.330) 5.707 2.296 ( 0.182 3.154 -0.340) 3.178 2.502 ( 5.315 -3.916 -4.708) 8.109 2.585 ( 12.186 -5.157 1.273) 13.293 2.762 ( 4.153 -2.038 -0.544) 4.658 2.816 ( 3.140 -7.165 0.588) 7.845 2.916 ( 4.276 0.966 -7.692) 8.853 3.086 ( 5.689 -4.187 6.894) 9.871 3.118 ( 4.949 5.775 8.349) 11.294 3.169 ( 8.085 1.108 -2.279) 8.473 3.492 ( 0.659 -5.311 6.688) 8.566 3.758 ( -4.469 -3.605 -2.401) 6.224 3.925 ( 3.890 -7.340 -6.591) 10.604 3.942 ( 0.328 4.275 1.872) 4.679 4.245 ( -4.318 -5.468 -6.452) 9.496 4.480 ( 4.426 3.778 2.165) 6.209 4.691 ( 4.384 4.635 -2.714) 6.933 4.753 ( 0.450 5.567 -1.770) 5.859 5.092 ( 5.120 -0.936 -9.877) 11.164 5.230 ( -3.816 -0.714 4.287) 5.783 5.307 ( 5.143 -14.502 6.395) 16.663 5.534 ( -4.067 -7.747 2.647) 9.141 5.733 ( 2.649 0.861 3.974) 4.853 5.902 ( 2.150 -3.937 -5.532) 7.122 5.934 ( 8.492 -0.151 0.787) 8.529 6.284 ( -8.230 2.857 13.095) 15.728 6.623 ( -1.844 4.571 -4.331) 6.561 6.770 ( 1.868 11.973 -4.343) 12.873 6.932 ( -9.409 9.330 -2.054) 13.409 7.452 ( 1.793 -8.652 -2.148) 9.093 7.581 ( -1.549 -2.102 0.200) 2.619 8.167 ( 6.064 19.657 -4.647) 21.089 8.389 ( 2.301 -4.173 -0.478) 4.789 8.623 ( -10.404 1.753 3.012) 10.972 9.007 ( 2.249 0.229 5.643) 6.079 9.332 ( -3.427 0.211 4.208) 5.431 9.540 ( 1.146 6.442 1.132) 6.640 9.755 ( 7.829 -5.955 -3.210) 10.347 9.816 ( 7.076 -2.746 0.972) 7.652 10.281 ( 8.264 -2.084 -0.552) 8.541 10.420 ( 5.612 -2.790 -1.230) 6.387 11.061 ( -13.823 3.077 3.699) 14.636 11.637 ( -16.299 -11.297 -0.029) 19.831 11.729 ( -4.396 1.487 -5.256) 7.011 11.858 ( -1.630 -1.377 -2.810) 3.528 14.594 ( 12.981 3.513 -0.788) 13.471 14.740 ( 0.439 1.342 -21.075) 21.122 14.846 ( 5.396 4.116 -7.305) 9.971 14.952 ( 8.170 9.936 2.434) 13.092 15.205 ( 7.242 -2.864 3.986) 8.748 15.391 ( 2.675 -1.855 19.591) 19.860 15.602 ( -1.855 -8.470 6.654) 10.929 15.822 ( -6.714 -0.918 -1.184) 6.879 18.236 ( -3.360 0.556 -0.917) 3.526 18.457 ( -5.935 3.346 -6.049) 9.111 18.938 ( 3.896 0.006 0.442) 3.921 18.972 ( 1.868 0.997 1.296) 2.483 ======================= Grid point 208 (100/160) ======================= q-point: (-0.10 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -7.158 17.501 20.589) 27.954 1.209 ( -10.037 18.089 17.764) 27.268 1.913 ( -18.487 20.028 28.269) 39.269 2.126 ( -5.779 5.140 -6.127) 9.867 2.261 ( -1.917 0.469 -5.693) 6.025 2.473 ( 0.932 -0.484 -7.936) 8.005 2.781 ( 4.916 -3.142 -12.899) 14.157 2.792 ( 1.304 -2.194 2.096) 3.302 2.912 ( 7.377 -9.634 7.613) 14.324 2.997 ( 8.640 -3.179 0.945) 9.254 3.255 ( 7.791 -1.149 8.188) 11.361 3.373 ( 10.378 -1.057 8.291) 13.325 3.384 ( 9.411 -0.723 7.148) 11.840 3.579 ( 2.261 -6.125 8.071) 10.381 3.707 ( 1.725 -8.744 -3.449) 9.557 3.949 ( -2.577 4.141 7.758) 9.163 3.973 ( 5.934 0.396 -3.587) 6.946 4.123 ( -3.225 -3.443 -3.300) 5.757 4.466 ( -9.486 10.417 -11.060) 17.912 4.633 ( 9.263 5.055 1.925) 10.727 4.815 ( -0.526 -0.876 -3.138) 3.301 4.978 ( -4.303 -6.446 -12.909) 15.056 5.156 ( -0.625 1.917 -1.748) 2.669 5.350 ( -3.582 -9.043 7.894) 12.527 5.607 ( 1.285 -6.362 5.690) 8.632 5.783 ( -4.010 -1.225 -0.570) 4.231 5.846 ( -1.228 -3.908 -5.037) 6.492 6.129 ( 9.608 1.885 2.207) 10.037 6.354 ( -3.704 -0.095 9.321) 10.030 6.398 ( -7.778 -1.083 -5.951) 9.853 6.787 ( 0.297 12.585 -2.203) 12.780 6.814 ( 0.486 9.376 1.104) 9.453 7.495 ( 3.554 -6.409 -0.683) 7.360 7.584 ( 0.769 -4.121 1.468) 4.442 8.192 ( 4.955 20.237 -8.803) 22.618 8.367 ( -1.762 -2.444 -4.239) 5.200 8.556 ( -4.072 3.919 7.448) 9.350 9.077 ( 2.446 -1.057 -1.428) 3.023 9.343 ( -0.681 -1.183 2.146) 2.543 9.542 ( -0.767 6.064 -3.735) 7.163 9.892 ( 7.987 -4.989 4.802) 10.571 9.954 ( 6.341 -3.585 3.337) 8.012 10.383 ( 5.723 -4.285 -2.320) 7.516 10.486 ( 4.551 -2.454 -3.566) 6.281 10.945 ( -8.912 4.707 10.022) 14.213 11.294 ( -22.381 -7.117 4.762) 23.963 11.598 ( -2.235 2.315 -8.019) 8.640 11.752 ( -3.971 0.581 -6.468) 7.612 14.536 ( 5.433 -2.105 -13.561) 14.760 14.747 ( -1.315 -2.837 -4.783) 5.715 14.945 ( 12.341 2.895 4.570) 13.474 15.026 ( 4.308 -5.461 -2.159) 7.284 15.336 ( -1.317 -5.225 2.364) 5.884 15.533 ( 3.446 -1.953 0.134) 3.963 15.647 ( -3.731 2.011 2.035) 4.701 15.877 ( 5.124 6.432 10.719) 13.510 18.157 ( -2.229 4.187 -4.986) 6.882 18.257 ( -7.816 3.161 -3.252) 9.036 19.004 ( 2.670 -0.839 1.236) 3.060 19.018 ( 1.116 0.505 1.953) 2.305 ======================= Grid point 209 (101/160) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -6.979 12.522 11.255) 18.226 1.653 ( -2.022 14.515 13.073) 19.639 1.938 ( -4.283 2.186 -8.908) 10.123 2.223 ( 3.175 4.756 -9.815) 11.360 2.380 ( -0.514 -1.741 -2.111) 2.784 2.631 ( 6.339 -0.316 -8.875) 10.911 2.725 ( 4.771 -4.279 -2.246) 6.791 2.752 ( 1.378 -4.311 3.426) 5.676 2.887 ( -0.575 11.670 20.727) 23.794 2.983 ( 2.175 -3.608 1.749) 4.562 3.199 ( -4.074 -11.393 -2.227) 12.303 3.333 ( -1.374 -7.517 3.255) 8.305 3.548 ( 1.964 -8.771 1.861) 9.179 3.659 ( 6.714 9.576 3.068) 12.091 3.778 ( 4.575 6.042 10.534) 12.977 3.999 ( -0.232 0.605 8.090) 8.116 4.140 ( -6.744 4.142 7.923) 11.199 4.212 ( 3.801 9.001 2.686) 10.133 4.486 ( -2.671 7.997 -8.734) 12.140 4.530 ( -1.937 -2.553 -9.659) 10.177 4.698 ( -9.848 1.420 -4.702) 11.005 4.821 ( 6.080 -2.815 -3.236) 7.440 5.145 ( 1.094 -3.307 7.651) 8.406 5.401 ( 2.422 -2.768 -4.111) 5.516 5.515 ( -0.631 -9.284 5.576) 10.848 5.683 ( -3.550 -5.908 -2.292) 7.263 5.785 ( 5.987 7.584 -0.532) 9.677 5.956 ( -11.462 2.078 -10.177) 15.468 6.322 ( -8.873 -5.142 6.245) 12.007 6.473 ( 18.173 -4.734 -1.202) 18.818 7.005 ( -3.660 11.097 -1.137) 11.740 7.051 ( 2.029 10.025 -1.280) 10.308 7.409 ( 0.111 -6.844 3.743) 7.801 7.529 ( 1.233 -3.958 0.846) 4.231 8.208 ( -2.854 0.114 0.929) 3.003 8.426 ( -2.062 9.590 -5.754) 11.372 8.767 ( 0.456 9.099 4.440) 10.135 9.093 ( 2.492 2.313 -3.507) 4.885 9.386 ( 4.538 1.692 0.101) 4.844 9.512 ( -4.459 4.165 -8.088) 10.132 9.884 ( -5.678 -8.922 6.126) 12.222 9.963 ( 4.890 -6.585 4.959) 9.584 10.277 ( -2.584 -6.104 -3.149) 7.338 10.379 ( 2.191 -6.061 -5.654) 8.573 11.133 ( -1.072 7.198 11.431) 13.551 11.222 ( -0.438 2.824 11.984) 12.320 11.555 ( 1.829 3.186 -8.508) 9.268 11.627 ( -0.244 0.061 -8.087) 8.091 14.462 ( 5.110 -2.781 -5.902) 8.287 14.513 ( -7.612 -2.860 -6.868) 10.644 14.870 ( 1.827 -14.104 1.106) 14.264 14.885 ( -2.740 -12.060 0.491) 12.377 15.287 ( 2.691 2.893 6.048) 7.224 15.484 ( -1.372 0.815 -0.810) 1.789 15.989 ( 8.984 6.695 2.028) 11.386 16.032 ( -8.219 5.846 0.598) 10.104 18.179 ( -1.151 4.256 -2.319) 4.982 18.239 ( 1.786 3.351 -3.441) 5.124 19.020 ( 0.434 -1.700 1.944) 2.618 19.046 ( -0.172 -0.513 0.882) 1.034 ======================= Grid point 210 (102/160) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 2.442 7.083 14.200) 16.055 1.799 ( 3.432 7.887 8.151) 11.850 1.839 ( -0.791 5.057 1.733) 5.404 2.162 ( 5.822 8.713 -13.870) 17.384 2.330 ( -4.814 -3.056 0.950) 5.780 2.556 ( 2.486 0.992 -10.274) 10.617 2.639 ( -7.462 -6.046 -2.227) 9.859 2.775 ( -2.808 -6.775 -2.764) 7.838 3.036 ( -1.874 -15.800 -7.885) 17.758 3.084 ( 2.688 -9.255 6.109) 11.411 3.274 ( 4.929 17.286 17.838) 25.324 3.353 ( -2.217 -8.740 3.750) 9.765 3.459 ( -6.540 -1.133 -2.328) 7.034 3.711 ( 4.983 7.426 -6.182) 10.871 3.815 ( -18.325 6.300 -5.758) 20.215 3.932 ( -2.202 11.268 9.253) 14.746 4.102 ( -6.892 1.323 1.869) 7.262 4.343 ( 2.746 2.709 5.195) 6.470 4.436 ( -1.552 -0.832 -1.487) 2.305 4.443 ( 0.586 0.444 -3.198) 3.282 4.650 ( 7.570 4.858 3.354) 9.600 4.845 ( 3.716 1.149 -4.585) 6.013 5.257 ( 0.621 -5.250 3.876) 6.555 5.323 ( -1.574 -3.410 -6.180) 7.232 5.548 ( -7.010 0.541 3.269) 7.754 5.565 ( -3.312 -7.552 4.368) 9.332 5.691 ( -1.243 -7.656 -4.930) 9.191 6.061 ( 10.097 6.888 1.660) 12.334 6.202 ( -4.720 -4.346 1.098) 6.509 6.726 ( 16.354 -3.342 -6.161) 17.793 6.930 ( -4.436 10.115 0.544) 11.058 7.079 ( 2.631 11.842 -0.637) 12.148 7.437 ( -2.039 -6.794 3.019) 7.709 7.544 ( 1.113 -4.321 -1.726) 4.784 8.197 ( -2.692 5.925 4.429) 7.873 8.318 ( -1.464 8.973 -3.956) 9.915 8.858 ( 0.397 5.547 8.620) 10.258 9.048 ( 0.320 4.058 -8.494) 9.419 9.388 ( -0.928 -0.084 -3.613) 3.732 9.481 ( 4.727 4.460 1.616) 6.697 9.812 ( -8.791 -10.094 4.086) 13.995 10.037 ( -3.694 -6.992 -2.667) 8.346 10.142 ( -6.257 -3.548 4.129) 8.294 10.342 ( -0.950 -5.890 -4.358) 7.388 11.284 ( 3.796 5.311 9.858) 11.824 11.402 ( 5.410 1.433 5.345) 7.739 11.519 ( 5.823 2.989 -6.345) 9.115 11.578 ( 5.927 0.434 -7.193) 9.330 14.330 ( -5.477 0.245 -3.859) 6.704 14.499 ( -0.086 -3.734 0.719) 3.804 14.799 ( 2.406 -11.207 -0.431) 11.470 15.077 ( 11.652 -14.448 2.295) 18.703 15.243 ( -9.698 6.676 -0.611) 11.790 15.538 ( 5.560 0.739 0.239) 5.614 15.772 ( -18.103 7.429 -0.467) 19.573 16.112 ( 1.169 3.200 1.664) 3.791 18.165 ( 0.977 5.047 -0.309) 5.150 18.286 ( 7.219 1.916 -2.582) 7.902 19.028 ( -1.430 -1.312 0.614) 2.036 19.039 ( -1.406 -0.759 0.561) 1.693 ======================= Grid point 211 (103/160) ======================= q-point: ( 0.20 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 7.836 7.698 6.990) 13.020 1.908 ( 2.393 4.370 7.063) 8.644 1.985 ( 4.977 3.258 6.111) 8.528 2.097 ( 5.129 12.945 -9.436) 16.820 2.229 ( -9.097 -5.090 4.877) 11.509 2.489 ( -2.085 -5.629 -3.127) 6.769 2.503 ( 3.029 -1.200 -8.908) 9.485 2.683 ( -6.044 -3.639 1.343) 7.181 2.798 ( -11.830 -8.528 -11.540) 18.597 3.203 ( 1.819 -10.905 4.265) 11.850 3.218 ( -12.723 -4.617 0.893) 13.565 3.370 ( -7.140 -5.304 -4.486) 9.962 3.416 ( 1.392 -0.965 -4.078) 4.416 3.578 ( 0.469 12.268 4.566) 13.099 3.716 ( 2.453 3.770 -4.662) 6.478 3.821 ( -5.755 11.139 -7.854) 14.794 4.093 ( -1.656 -2.738 -1.907) 3.725 4.344 ( -2.332 0.474 -2.134) 3.196 4.451 ( 2.778 3.021 6.714) 7.869 4.470 ( -3.598 2.449 9.046) 10.039 4.739 ( -2.145 2.750 -1.959) 4.001 4.860 ( 1.623 6.736 -1.643) 7.121 5.231 ( -0.829 0.907 -0.408) 1.295 5.303 ( 3.232 -4.224 -0.495) 5.342 5.526 ( -3.525 -7.507 -0.965) 8.349 5.558 ( -1.559 -6.649 3.727) 7.780 5.678 ( -0.798 -6.731 4.339) 8.049 5.947 ( -9.927 -4.311 -0.598) 10.840 6.427 ( 14.050 7.976 3.086) 16.449 6.837 ( 2.088 2.271 -4.215) 5.223 6.911 ( 6.729 8.602 -3.371) 11.430 7.140 ( 5.027 13.091 0.941) 14.054 7.400 ( -2.622 -6.207 -2.901) 7.336 7.545 ( 0.996 -0.100 0.340) 1.058 8.205 ( -2.613 7.697 5.039) 9.564 8.306 ( 0.514 2.953 1.095) 3.191 8.932 ( 0.073 2.898 -6.087) 6.741 8.972 ( 2.025 2.409 3.610) 4.789 9.387 ( 3.087 -2.407 -1.119) 4.072 9.547 ( -2.702 3.074 4.062) 5.766 9.714 ( -6.081 -8.855 0.268) 10.745 9.818 ( -8.727 -0.816 -5.531) 10.364 10.170 ( -2.361 -4.235 5.171) 7.089 10.247 ( -5.061 -5.114 -1.866) 7.433 11.436 ( 4.501 4.027 -4.548) 7.560 11.483 ( 6.192 3.117 5.616) 8.921 11.619 ( 8.706 -2.194 -2.462) 9.310 11.675 ( 7.934 -0.624 1.308) 8.066 14.259 ( -1.802 4.349 2.664) 5.409 14.472 ( -5.084 -0.433 4.616) 6.881 14.923 ( 6.383 -4.984 0.906) 8.149 15.025 ( -8.231 9.324 -2.830) 12.755 15.279 ( 1.695 -6.069 0.377) 6.313 15.445 ( -6.754 2.034 -0.515) 7.073 15.670 ( 3.865 -5.269 0.460) 6.551 16.060 ( -5.504 -0.780 -4.076) 6.893 18.203 ( 2.410 5.985 1.636) 6.656 18.389 ( 6.465 1.302 -0.703) 6.633 18.988 ( -2.332 -0.266 -1.328) 2.697 19.018 ( -1.925 -0.850 0.532) 2.170 ======================= Grid point 212 (104/160) ======================= q-point: ( 0.30 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -2.829 11.546 -8.936) 14.871 1.944 ( 2.489 5.771 -6.377) 8.954 2.064 ( 0.642 0.998 8.928) 9.006 2.164 ( 0.064 4.810 7.400) 8.826 2.372 ( 6.701 -10.242 6.336) 13.782 2.414 ( -5.244 1.379 -8.739) 10.285 2.459 ( -4.133 -1.967 -6.065) 7.598 2.518 ( 6.193 -4.547 3.308) 8.365 2.638 ( -2.392 -2.362 2.809) 4.381 2.977 ( -15.709 2.877 1.999) 16.095 3.160 ( -1.684 -4.812 -8.818) 10.185 3.314 ( -3.155 -3.865 7.050) 8.637 3.433 ( 2.370 -7.743 -4.736) 9.381 3.591 ( -4.051 -1.823 0.252) 4.449 3.620 ( 1.675 7.661 -7.079) 10.564 3.772 ( 10.519 6.095 -12.833) 17.677 4.011 ( -2.498 -8.383 0.170) 8.749 4.302 ( -0.223 2.818 -3.480) 4.483 4.408 ( -7.695 1.464 1.737) 8.023 4.524 ( -9.927 -10.228 7.342) 16.033 4.710 ( 2.625 6.548 -0.580) 7.078 4.849 ( -1.940 9.612 0.267) 9.809 5.209 ( -0.855 -0.328 2.613) 2.769 5.380 ( -2.215 -4.539 -6.719) 8.405 5.417 ( 2.136 -4.378 2.997) 5.720 5.579 ( -2.793 -6.193 4.232) 8.004 5.723 ( -0.027 -0.632 2.912) 2.980 5.808 ( -6.313 -1.297 -1.320) 6.579 6.599 ( 3.980 9.075 -0.029) 9.910 6.810 ( -1.569 7.471 1.164) 7.722 7.022 ( 11.774 7.054 -5.351) 14.731 7.251 ( 2.631 10.142 -0.112) 10.478 7.309 ( 0.371 -1.683 -2.275) 2.854 7.603 ( 3.674 1.209 2.456) 4.581 8.215 ( -4.032 8.488 4.706) 10.509 8.324 ( 1.390 -2.442 -0.892) 2.948 8.894 ( 4.295 -0.552 -4.463) 6.219 9.064 ( 3.229 0.347 2.960) 4.395 9.404 ( -3.850 -8.621 0.179) 9.443 9.496 ( -0.988 3.902 0.046) 4.025 9.543 ( -10.536 -5.830 -1.345) 12.116 9.747 ( 0.602 4.841 -1.983) 5.266 10.134 ( -2.534 -5.100 -1.983) 6.030 10.177 ( -5.775 -3.295 4.086) 7.804 11.458 ( 5.759 3.919 -4.453) 8.268 11.657 ( 4.938 0.971 6.340) 8.094 11.737 ( 6.641 -2.598 -0.666) 7.162 11.804 ( 5.837 -1.904 0.771) 6.188 14.325 ( 0.119 7.133 10.104) 12.369 14.469 ( -3.183 4.245 7.293) 9.018 14.768 ( -11.525 14.439 -0.725) 18.489 15.002 ( -13.632 13.152 0.965) 18.967 15.209 ( 9.863 -8.084 -1.983) 12.906 15.551 ( 9.969 -10.114 -2.639) 14.444 15.731 ( 2.790 -8.769 -0.366) 9.210 15.861 ( -6.371 -1.573 -10.859) 12.688 18.274 ( 2.584 4.720 2.950) 6.136 18.461 ( 1.207 0.587 0.962) 1.651 18.939 ( -0.877 0.717 -1.475) 1.859 18.988 ( -1.619 0.074 -0.376) 1.664 ======================= Grid point 213 (105/160) ======================= q-point: ( 0.40 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -3.616 5.723 -2.316) 7.155 1.936 ( 1.632 2.805 -2.516) 4.106 2.074 ( -3.744 1.093 -3.318) 5.120 2.208 ( 3.961 -0.922 0.231) 4.074 2.275 ( -1.043 2.331 -4.207) 4.921 2.384 ( 3.749 2.161 1.433) 4.559 2.586 ( 3.958 -4.736 -1.739) 6.413 2.644 ( -0.566 -2.586 6.569) 7.082 2.717 ( 2.426 -0.207 5.240) 5.778 2.780 ( -8.720 3.527 5.422) 10.857 3.048 ( 1.006 1.146 -8.207) 8.347 3.201 ( -9.061 2.154 -6.077) 11.121 3.385 ( 2.160 -10.436 -4.471) 11.557 3.573 ( 2.384 -1.811 -1.703) 3.444 3.676 ( 3.016 -7.166 2.459) 8.154 3.818 ( 5.978 -5.344 -6.406) 10.263 3.992 ( -1.035 -7.196 1.951) 7.527 4.230 ( -4.764 -0.869 0.482) 4.867 4.319 ( 0.717 4.020 -0.730) 4.148 4.484 ( -3.899 -7.731 7.244) 11.289 4.703 ( -4.640 2.748 1.300) 5.547 4.803 ( 0.965 9.454 -4.110) 10.354 5.157 ( -6.441 -3.652 -7.844) 10.787 5.324 ( 3.853 -0.850 3.289) 5.136 5.516 ( -4.361 -3.236 -6.336) 8.345 5.533 ( 0.296 1.733 6.932) 7.151 5.685 ( -4.175 1.323 0.115) 4.381 5.748 ( -0.064 -2.066 -0.266) 2.084 6.630 ( 1.523 9.528 0.657) 9.671 6.823 ( -0.251 8.862 3.454) 9.515 7.132 ( 6.728 7.399 -5.139) 11.243 7.157 ( -2.296 4.323 -6.023) 7.761 7.420 ( 3.871 3.818 5.073) 7.436 7.705 ( 4.479 1.057 1.859) 4.963 8.166 ( -5.320 6.013 1.489) 8.166 8.330 ( 1.549 -0.666 -3.096) 3.525 8.959 ( 5.782 -3.680 -0.411) 6.866 9.153 ( 4.488 -0.545 2.024) 4.953 9.331 ( -4.282 -5.290 2.757) 7.343 9.347 ( -10.915 -6.098 -0.758) 12.526 9.531 ( 4.629 3.687 -2.635) 6.478 9.709 ( -1.736 4.798 -2.929) 5.884 10.084 ( -2.759 -4.945 -0.294) 5.670 10.114 ( -3.560 -2.566 0.410) 4.407 11.531 ( 5.738 2.467 -0.076) 6.246 11.784 ( 1.642 -0.038 5.520) 5.759 11.793 ( 1.048 -0.958 -1.054) 1.768 11.899 ( 4.790 -2.140 0.068) 5.247 14.464 ( -0.077 8.560 11.769) 14.553 14.536 ( -1.828 8.325 10.679) 13.664 14.615 ( -7.609 13.135 2.935) 15.461 14.785 ( -9.862 14.604 0.785) 17.640 15.356 ( 8.852 -6.189 -5.082) 11.937 15.585 ( -0.150 -1.613 -14.910) 14.998 15.678 ( 5.845 -6.985 -5.553) 10.667 15.765 ( -1.264 -8.938 1.136) 9.098 18.354 ( 3.169 1.245 2.085) 3.993 18.450 ( -3.670 0.129 1.860) 4.117 18.931 ( 1.189 1.600 -0.958) 2.212 18.957 ( -1.416 1.418 -0.605) 2.094 ======================= Grid point 214 (106/160) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.319 -0.145 5.838) 5.849 1.890 ( -2.760 2.629 -3.922) 5.469 2.006 ( -0.909 -2.223 -4.863) 5.424 2.169 ( 2.106 -3.412 -7.403) 8.419 2.348 ( 4.483 3.043 3.797) 6.616 2.472 ( 0.522 5.424 0.901) 5.523 2.534 ( -0.018 2.869 -1.887) 3.434 2.684 ( -1.723 3.489 1.446) 4.151 2.744 ( -1.000 -0.536 -1.361) 1.772 2.778 ( 2.375 1.010 5.400) 5.985 2.997 ( -2.866 1.196 -2.308) 3.869 3.044 ( 4.777 -0.443 -10.025) 11.114 3.457 ( -3.621 -13.239 -1.513) 13.808 3.525 ( 3.182 -11.507 1.710) 12.060 3.671 ( -0.905 -4.552 1.143) 4.780 3.779 ( 0.131 -10.788 -5.045) 11.910 4.140 ( -5.002 2.198 4.747) 7.238 4.178 ( 7.087 -1.642 3.734) 8.177 4.383 ( 1.036 2.544 2.653) 3.819 4.482 ( -7.678 -4.058 6.468) 10.828 4.708 ( 5.745 1.468 1.704) 6.169 4.778 ( 2.855 5.689 -3.701) 7.363 5.002 ( 1.498 -2.109 -7.813) 8.230 5.257 ( -8.724 -2.662 -11.922) 15.011 5.435 ( 2.455 2.584 4.232) 5.533 5.583 ( 0.308 5.370 -2.847) 6.086 5.661 ( -2.117 -3.345 4.833) 6.247 5.755 ( 0.945 -3.457 0.672) 3.646 6.694 ( 1.379 7.555 5.472) 9.430 6.855 ( -1.892 7.451 2.081) 7.964 7.038 ( -2.261 8.886 -3.642) 9.866 7.155 ( 4.325 7.195 -8.235) 11.760 7.521 ( 0.141 0.840 6.321) 6.378 7.751 ( 0.904 -1.907 -2.977) 3.649 8.117 ( -2.708 5.856 3.008) 7.118 8.308 ( 2.156 4.511 -4.557) 6.765 9.044 ( 0.102 -3.854 3.167) 4.989 9.143 ( -10.262 -4.510 1.329) 11.288 9.286 ( 5.497 -2.660 0.742) 6.151 9.329 ( 2.015 -4.655 1.090) 5.188 9.579 ( 3.904 5.149 -2.268) 6.848 9.633 ( -1.410 3.872 -4.040) 5.771 10.020 ( -4.027 -3.325 1.506) 5.435 10.102 ( 2.357 -4.044 -1.881) 5.045 11.619 ( 0.467 0.627 3.183) 3.278 11.759 ( -0.267 0.533 -2.991) 3.049 11.844 ( -1.760 -0.539 4.452) 4.818 11.955 ( 1.718 -1.169 -0.309) 2.101 14.551 ( -4.663 12.986 4.016) 14.371 14.565 ( 2.477 16.432 0.626) 16.630 14.628 ( -3.687 4.229 15.391) 16.381 14.793 ( 0.957 9.768 12.067) 15.554 15.317 ( 1.442 -2.337 -15.761) 15.998 15.429 ( 2.820 0.475 -13.149) 13.457 15.704 ( -5.958 -9.093 0.744) 10.897 15.765 ( 6.359 -7.531 -2.386) 10.142 18.374 ( -4.459 -0.332 2.723) 5.235 18.462 ( 4.906 -0.872 -0.171) 4.986 18.927 ( -1.761 2.442 -0.064) 3.011 18.943 ( 1.127 1.846 -0.633) 2.253 ======================= Grid point 215 (107/160) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -11.052 3.757 -2.341) 11.905 1.876 ( -9.516 2.516 -1.910) 10.027 1.943 ( 8.112 -3.447 4.844) 10.057 2.141 ( 3.354 -5.568 -4.554) 7.937 2.410 ( 0.477 2.800 1.092) 3.043 2.476 ( 0.643 3.015 -7.483) 8.093 2.534 ( 5.024 0.338 3.253) 5.994 2.691 ( 4.101 3.384 -4.199) 6.775 2.798 ( 2.585 4.225 5.626) 7.496 2.887 ( -0.546 -2.894 -7.786) 8.324 2.965 ( 9.400 3.739 5.687) 11.605 3.089 ( 8.792 1.400 -3.390) 9.527 3.219 ( -12.358 -10.703 -1.057) 16.383 3.627 ( -10.789 1.806 -3.497) 11.484 3.716 ( 1.043 -8.117 0.612) 8.207 3.739 ( 2.039 -10.519 3.281) 11.206 3.999 ( 0.325 -4.014 -1.378) 4.256 4.287 ( -1.766 4.592 1.505) 5.145 4.446 ( 2.061 3.212 5.640) 6.810 4.546 ( 2.394 -6.102 8.934) 11.081 4.603 ( -4.064 2.552 -11.730) 12.674 4.923 ( -3.184 0.277 -1.071) 3.371 5.031 ( 13.182 -4.941 1.644) 14.174 5.105 ( 6.552 -4.381 -4.476) 9.064 5.478 ( -2.445 6.124 -3.149) 7.307 5.568 ( 5.044 2.787 1.874) 6.060 5.684 ( -2.517 -4.660 4.254) 6.793 5.785 ( 2.526 -4.397 -0.972) 5.163 6.712 ( -9.150 7.775 -0.825) 12.035 6.797 ( -1.986 4.805 4.594) 6.938 7.056 ( 4.789 10.025 0.205) 11.112 7.111 ( 1.995 8.934 -7.095) 11.582 7.552 ( -4.891 -1.526 3.755) 6.352 7.692 ( -1.707 -1.419 -3.581) 4.213 8.129 ( -0.739 2.050 3.445) 4.076 8.330 ( 5.730 8.641 -3.054) 10.809 8.940 ( -10.284 -3.548 1.428) 10.973 9.063 ( -6.617 0.942 3.027) 7.338 9.369 ( 5.324 -4.332 2.206) 7.209 9.431 ( 5.424 -5.108 -0.950) 7.511 9.528 ( -1.287 3.956 -3.848) 5.667 9.663 ( 5.838 4.983 -2.275) 8.006 10.015 ( 0.965 -2.875 2.473) 3.913 10.145 ( 4.814 -5.204 -1.029) 7.163 11.543 ( -9.927 1.838 0.002) 10.096 11.784 ( 3.620 -0.313 -0.268) 3.643 11.825 ( -6.154 -1.715 3.500) 7.284 11.946 ( -1.541 -0.684 -1.468) 2.236 14.532 ( -0.184 12.704 1.816) 12.834 14.683 ( 7.915 13.786 5.277) 16.750 14.781 ( 1.016 5.292 13.447) 14.486 14.978 ( 0.877 6.478 14.031) 15.479 15.144 ( 1.219 -1.017 -15.146) 15.229 15.293 ( 1.250 1.252 -17.220) 17.311 15.573 ( -9.570 -9.398 0.773) 13.435 15.824 ( 2.926 -7.826 -2.022) 8.596 18.338 ( -2.989 1.844 2.632) 4.389 18.545 ( 5.364 -2.185 -1.742) 6.048 18.897 ( -1.830 2.189 0.445) 2.888 18.951 ( 0.533 1.421 -0.253) 1.539 ======================= Grid point 216 (108/160) ======================= q-point: (-0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -10.615 11.808 3.332) 16.224 1.678 ( -13.718 8.847 3.677) 16.733 2.112 ( 6.530 -6.498 1.649) 9.359 2.222 ( 7.720 -5.542 1.816) 9.675 2.426 ( 0.117 2.456 -0.908) 2.621 2.460 ( 7.504 2.630 -6.585) 10.324 2.625 ( 2.480 -3.849 -3.703) 5.889 2.670 ( 2.291 -1.875 -2.722) 4.022 2.814 ( -0.280 -4.970 -3.471) 6.069 2.941 ( 4.774 6.526 6.406) 10.315 3.067 ( -2.549 4.132 0.043) 4.855 3.127 ( 8.692 2.108 -5.721) 10.617 3.225 ( -16.434 5.848 2.201) 17.582 3.326 ( 0.958 8.945 5.997) 10.812 3.690 ( -0.399 -8.720 -0.308) 8.734 3.754 ( -0.087 -11.269 -4.167) 12.015 4.106 ( 1.674 6.809 -1.831) 7.247 4.237 ( -2.410 -7.738 -3.741) 8.927 4.426 ( 1.748 0.074 -0.921) 1.977 4.591 ( 7.064 -1.971 4.170) 8.436 4.679 ( 5.606 -4.312 3.824) 8.040 4.902 ( 0.679 3.437 0.317) 3.518 5.188 ( 5.855 -6.678 -2.689) 9.280 5.256 ( 4.195 -8.145 7.315) 11.724 5.368 ( -3.833 6.014 -4.345) 8.351 5.672 ( -2.795 -4.148 2.859) 5.761 5.736 ( 8.981 0.294 3.016) 9.479 5.814 ( 4.491 -4.234 -3.736) 7.214 6.518 ( -11.699 8.780 1.371) 14.691 6.801 ( -3.362 5.207 1.621) 6.406 7.050 ( 1.314 8.797 -5.696) 10.562 7.166 ( 4.610 9.468 1.568) 10.646 7.431 ( -8.926 -1.604 -2.218) 9.336 7.626 ( -4.226 0.372 -0.375) 4.259 8.180 ( 1.327 -3.954 4.184) 5.908 8.401 ( 5.576 7.857 -2.217) 9.886 8.803 ( -6.462 2.041 -0.059) 6.777 9.002 ( -3.746 3.263 3.822) 6.269 9.405 ( -4.539 0.840 0.746) 4.676 9.516 ( 6.583 -3.021 2.972) 7.829 9.539 ( 6.986 -4.351 -4.815) 9.535 9.728 ( 4.421 5.075 -1.773) 6.960 10.101 ( 5.993 -3.386 1.006) 6.956 10.233 ( 5.777 -5.875 0.365) 8.248 11.347 ( -12.620 4.162 0.297) 13.292 11.707 ( -11.622 -3.530 1.864) 12.289 11.826 ( 0.946 -1.797 -0.015) 2.031 11.872 ( -3.811 -0.325 -3.055) 4.895 14.589 ( 4.267 10.455 1.524) 11.395 14.931 ( 0.929 1.022 3.530) 3.790 14.942 ( 6.610 4.784 3.739) 8.975 14.993 ( 6.461 8.183 -0.779) 10.455 15.076 ( -1.665 2.723 -16.214) 16.525 15.169 ( 0.601 -1.283 9.338) 9.445 15.443 ( -5.732 -7.225 1.898) 9.416 15.815 ( -0.009 -6.637 -2.688) 7.161 18.332 ( -0.966 4.617 1.381) 4.915 18.573 ( 0.447 -1.215 -2.964) 3.234 18.889 ( 0.407 0.141 0.671) 0.797 18.960 ( 0.603 0.621 0.354) 0.935 ======================= Grid point 217 (109/160) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -4.344 20.469 13.059) 24.665 1.538 ( -12.273 13.457 10.920) 21.236 2.223 ( 4.016 -7.795 1.320) 8.867 2.322 ( -1.885 -4.594 -2.587) 5.599 2.416 ( 4.555 2.270 -5.925) 7.811 2.488 ( -1.905 3.277 -5.708) 6.852 2.591 ( 11.189 1.804 -4.648) 12.250 2.718 ( 4.971 -3.656 -1.223) 6.291 2.806 ( -8.998 8.664 5.809) 13.776 2.916 ( -2.376 -3.833 7.099) 8.410 2.977 ( -0.246 4.635 -6.492) 7.981 3.189 ( 2.263 1.856 9.444) 9.887 3.284 ( 9.239 7.347 3.119) 12.209 3.468 ( 2.587 3.009 5.004) 6.386 3.603 ( -5.056 -11.348 -10.531) 16.287 3.743 ( 5.834 -7.911 0.849) 9.866 4.020 ( -3.705 3.599 1.184) 5.299 4.231 ( 2.402 6.006 -1.702) 6.689 4.520 ( 4.802 -1.099 2.808) 5.670 4.775 ( 7.219 -2.694 1.927) 7.943 4.826 ( 8.308 -12.871 -3.283) 15.667 4.889 ( -3.222 5.902 -0.835) 6.776 5.176 ( -4.598 -0.712 1.457) 4.875 5.283 ( -2.026 3.623 -1.351) 4.365 5.339 ( -0.052 -10.801 3.804) 11.451 5.710 ( 3.252 -4.055 2.353) 5.706 5.813 ( 3.043 -3.175 -3.447) 5.588 5.934 ( 9.465 -0.919 0.292) 9.514 6.380 ( -11.135 6.028 8.685) 15.355 6.694 ( -7.623 2.605 -6.519) 10.363 7.020 ( 0.883 10.660 -2.308) 10.942 7.180 ( -6.145 12.964 -0.031) 14.347 7.318 ( 1.959 -5.203 -1.523) 5.764 7.544 ( -4.483 -0.323 0.167) 4.498 8.249 ( 1.000 -5.089 3.150) 6.067 8.440 ( 0.434 1.558 0.147) 1.624 8.750 ( 3.223 12.345 -4.496) 13.527 9.025 ( 0.584 1.640 3.161) 3.609 9.347 ( -3.635 0.331 1.767) 4.055 9.613 ( 7.581 -3.310 -0.227) 8.275 9.671 ( 5.835 -1.171 1.584) 6.159 9.768 ( 2.992 2.214 -1.290) 3.939 10.204 ( 6.757 -5.721 -2.849) 9.301 10.337 ( 5.631 -5.096 0.505) 7.611 11.159 ( -12.008 6.276 4.375) 14.238 11.479 ( -18.043 -3.859 2.805) 18.663 11.757 ( -3.825 0.864 -4.793) 6.192 11.813 ( -1.005 -2.713 -2.413) 3.768 14.666 ( 4.159 2.561 -5.263) 7.180 14.774 ( -2.196 1.867 -16.029) 16.286 14.915 ( 2.660 1.506 0.129) 3.059 14.956 ( -8.443 -4.087 0.622) 9.401 15.208 ( -3.607 -6.141 4.793) 8.584 15.390 ( 18.075 6.197 8.935) 21.093 15.466 ( -0.091 -3.421 7.022) 7.811 15.822 ( 5.694 1.541 -0.409) 5.913 18.320 ( -1.059 6.260 -1.143) 6.451 18.483 ( -5.592 0.071 -4.681) 7.293 18.921 ( 2.077 -1.632 0.917) 2.796 18.987 ( 1.438 0.188 1.230) 1.902 ======================= Grid point 218 (110/160) ======================= q-point: (-0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -8.065 17.295 13.031) 23.108 1.570 ( -4.672 18.231 14.394) 23.694 2.134 ( -5.738 -0.669 -9.223) 10.883 2.269 ( 1.292 1.291 -2.691) 3.252 2.382 ( 2.462 4.270 -2.415) 5.489 2.478 ( 2.715 5.331 0.368) 5.994 2.681 ( -1.701 0.314 4.796) 5.099 2.755 ( 4.190 -3.478 -2.757) 6.103 2.841 ( 1.420 0.410 -5.004) 5.217 2.915 ( 3.428 -1.726 0.820) 3.925 3.158 ( 12.671 -7.682 12.710) 19.522 3.264 ( -4.647 -3.209 5.956) 8.207 3.440 ( 1.360 -5.001 -0.071) 5.183 3.486 ( 5.608 1.758 0.369) 5.888 3.606 ( 4.870 4.022 9.077) 11.058 3.864 ( 3.600 -7.851 5.116) 10.039 4.052 ( 3.310 7.915 4.427) 9.654 4.230 ( -1.677 10.085 -0.468) 10.234 4.647 ( 4.510 -4.861 -2.073) 6.947 4.700 ( -3.592 6.373 -7.632) 10.572 4.750 ( -6.683 -3.950 -3.752) 8.622 4.893 ( -0.585 2.564 -4.648) 5.340 5.113 ( -6.940 -2.792 5.485) 9.276 5.308 ( 7.662 1.444 -0.549) 7.816 5.429 ( 2.486 -9.926 6.056) 11.890 5.741 ( 0.137 -7.558 -2.383) 7.925 5.794 ( -1.162 1.269 -4.210) 4.548 6.137 ( 13.772 -1.554 1.048) 13.899 6.351 ( -7.780 -0.386 11.430) 13.832 6.382 ( -14.290 0.368 -10.487) 17.729 7.025 ( 1.801 11.174 -1.309) 11.393 7.087 ( -3.508 12.754 -1.099) 13.273 7.361 ( 2.255 -6.713 0.853) 7.133 7.505 ( -1.216 -1.860 1.811) 2.867 8.257 ( -1.998 -3.783 -0.517) 4.310 8.457 ( -0.096 2.032 2.305) 3.074 8.754 ( 3.932 14.942 -6.515) 16.769 9.069 ( 2.196 0.725 0.074) 2.314 9.336 ( 0.503 0.142 1.021) 1.148 9.670 ( -1.515 5.604 -7.374) 9.385 9.788 ( 8.562 -4.436 4.908) 10.820 9.843 ( 2.425 -6.471 4.339) 8.160 10.267 ( 5.373 -6.773 -3.127) 9.193 10.404 ( 3.236 -5.471 -3.308) 7.166 11.075 ( -7.394 7.447 9.832) 14.380 11.234 ( -15.743 0.749 8.488) 17.901 11.643 ( -1.533 1.777 -6.722) 7.120 11.737 ( -2.215 -1.767 -5.733) 6.395 14.522 ( 0.479 0.056 -13.389) 13.398 14.702 ( -0.358 -1.308 -7.320) 7.445 14.797 ( -3.899 -11.578 -0.478) 12.226 15.008 ( -3.851 -3.631 5.953) 7.966 15.160 ( 0.066 -4.053 1.676) 4.386 15.513 ( -3.658 -3.361 5.494) 7.407 15.748 ( 17.127 7.358 0.524) 18.648 16.001 ( 7.207 4.866 5.487) 10.282 18.265 ( -1.143 5.469 -5.392) 7.765 18.311 ( -7.049 2.491 -2.975) 8.046 18.974 ( 2.051 -1.808 1.836) 3.293 19.025 ( 0.981 -0.169 1.371) 1.694 ======================= Grid point 219 (111/160) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -6.412 7.557 3.638) 10.557 1.940 ( -4.455 -0.477 -3.602) 5.749 1.944 ( -3.962 11.307 5.317) 13.108 2.274 ( 1.334 -0.291 -8.766) 8.872 2.376 ( 1.860 1.895 -1.400) 3.002 2.557 ( 4.722 -4.189 -3.240) 7.095 2.572 ( 7.478 -7.376 -4.530) 11.439 2.646 ( 2.870 -3.673 -5.994) 7.593 2.775 ( 0.162 -7.193 -0.073) 7.195 2.894 ( -5.189 -10.399 1.436) 11.710 3.174 ( 2.013 -2.418 4.770) 5.714 3.285 ( 2.479 -4.959 0.947) 5.624 3.671 ( -1.029 23.102 14.722) 27.414 3.836 ( -2.115 4.872 12.572) 13.648 3.941 ( 2.039 7.494 13.377) 15.467 4.008 ( 13.478 5.776 9.451) 17.445 4.267 ( -8.822 5.689 7.236) 12.750 4.434 ( 2.206 8.298 -0.189) 8.588 4.466 ( 1.101 0.295 -6.295) 6.397 4.618 ( -6.982 0.614 -5.882) 9.151 4.732 ( -1.550 3.206 -3.786) 5.198 4.783 ( -1.463 -0.704 -5.275) 5.520 5.087 ( -1.968 -1.330 4.982) 5.519 5.290 ( -2.586 -10.477 -1.366) 10.877 5.303 ( 3.409 -7.211 -2.591) 8.387 5.476 ( -1.015 -12.352 -5.100) 13.401 5.973 ( 5.276 9.438 -0.360) 10.818 6.034 ( -6.896 4.952 -5.666) 10.207 6.213 ( -12.274 -5.170 4.250) 13.980 6.352 ( 18.921 -7.008 -1.944) 20.271 7.142 ( -1.155 1.739 -1.382) 2.503 7.191 ( 0.463 1.733 -3.627) 4.047 7.317 ( 1.071 1.257 3.407) 3.786 7.481 ( -1.494 -1.699 -2.797) 3.598 8.280 ( -2.017 6.486 9.154) 11.398 8.505 ( -1.603 -0.906 5.516) 5.815 8.991 ( -0.689 11.247 -1.394) 11.354 9.166 ( 2.852 4.436 -1.659) 5.529 9.404 ( 3.768 0.258 -1.784) 4.177 9.595 ( 0.387 0.792 -12.648) 12.679 9.719 ( -8.344 -4.432 6.272) 11.340 9.830 ( 4.658 -5.823 1.643) 7.636 10.159 ( -1.266 -4.545 -1.688) 5.010 10.243 ( 0.850 -6.784 -4.493) 8.181 11.256 ( -1.957 4.584 9.807) 11.001 11.292 ( -1.036 3.122 9.874) 10.408 11.600 ( 1.911 1.183 -6.658) 7.027 11.625 ( 1.148 -0.133 -6.465) 6.567 14.419 ( 2.315 -1.988 -4.970) 5.832 14.449 ( -4.598 -3.531 -5.244) 7.817 14.659 ( -1.111 -5.682 -0.604) 5.821 14.692 ( -1.137 -6.117 -2.483) 6.699 15.349 ( 2.172 2.852 6.281) 7.232 15.462 ( -0.202 -2.385 2.434) 3.414 16.091 ( 5.606 3.361 1.602) 6.729 16.113 ( -3.957 2.300 0.859) 4.656 18.263 ( 0.172 3.635 -2.997) 4.714 18.299 ( 0.003 2.129 -3.746) 4.309 18.990 ( 0.142 -0.897 2.289) 2.463 19.023 ( -0.113 -1.574 0.825) 1.781 ======================= Grid point 220 (112/160) ======================= q-point: ( 0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 0.844 4.667 10.654) 11.662 1.869 ( -1.409 -1.744 2.987) 3.735 1.979 ( 0.837 8.699 3.654) 9.472 2.228 ( 2.948 -1.581 -5.324) 6.288 2.333 ( -1.109 3.379 -6.097) 7.058 2.529 ( 2.605 -2.601 -9.018) 9.740 2.565 ( -3.505 -1.987 -6.236) 7.424 2.655 ( 3.292 -2.414 -0.399) 4.101 2.757 ( -4.048 -11.003 -0.995) 11.766 2.901 ( 3.381 -9.191 4.460) 10.761 3.218 ( -1.567 -3.235 0.709) 3.663 3.283 ( -1.648 -5.379 -2.748) 6.261 3.719 ( -9.613 13.662 7.533) 18.325 3.871 ( -8.535 5.387 7.981) 12.867 4.006 ( -12.412 9.611 -3.814) 16.155 4.117 ( -5.627 9.232 8.371) 13.673 4.194 ( -5.115 5.221 -6.444) 9.744 4.391 ( -1.677 1.604 8.361) 8.677 4.445 ( 0.248 4.114 4.784) 6.315 4.548 ( 2.948 7.905 -8.329) 11.856 4.726 ( 11.462 4.132 1.494) 12.275 4.870 ( 6.525 0.181 -0.875) 6.586 5.127 ( -3.865 -7.604 6.732) 10.866 5.203 ( -0.603 -7.180 -1.118) 7.292 5.352 ( 3.526 -9.964 -0.053) 10.570 5.421 ( 1.057 -12.799 -4.600) 13.641 5.708 ( -13.022 7.215 -2.071) 15.031 6.013 ( -12.927 -7.013 1.357) 14.769 6.303 ( 18.778 9.245 -0.507) 20.937 6.625 ( 17.585 -6.173 -5.149) 19.335 7.080 ( -2.280 4.792 -1.111) 5.422 7.222 ( 4.048 -0.735 -0.475) 4.142 7.353 ( -1.114 1.515 0.802) 2.044 7.463 ( 3.054 -3.091 -0.132) 4.347 8.354 ( -3.413 8.242 10.167) 13.526 8.473 ( -3.938 4.680 -1.963) 6.424 8.998 ( -1.074 8.418 4.518) 9.614 9.151 ( 0.057 6.288 -6.781) 9.248 9.347 ( -3.700 -3.981 -3.104) 6.259 9.555 ( 3.635 -6.806 -5.139) 9.271 9.648 ( -5.840 3.017 5.893) 8.828 9.900 ( 0.868 -5.979 -0.774) 6.091 10.071 ( -5.675 -2.675 1.742) 6.511 10.202 ( -1.362 -7.382 -3.267) 8.187 11.371 ( 2.302 3.109 8.589) 9.420 11.423 ( 3.193 0.448 7.231) 7.917 11.573 ( 4.922 2.201 -7.610) 9.327 11.598 ( 5.081 1.119 -6.230) 8.117 14.351 ( -0.927 1.582 -2.646) 3.219 14.452 ( 3.135 -2.068 -0.061) 3.756 14.619 ( 2.540 -4.776 0.005) 5.409 14.796 ( 9.860 -11.495 0.784) 15.165 15.372 ( -4.536 5.064 1.007) 6.872 15.513 ( 3.853 -2.449 0.851) 4.644 15.932 ( -15.100 7.583 -0.756) 16.914 16.131 ( -3.492 -1.284 0.594) 3.768 18.266 ( 2.878 4.115 -1.290) 5.185 18.316 ( 5.471 1.020 -1.930) 5.890 19.000 ( -1.457 -1.020 1.258) 2.178 19.020 ( -1.101 -1.233 0.304) 1.681 ======================= Grid point 221 (113/160) ======================= q-point: ( 0.20 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.668 -0.120 10.987) 11.008 1.973 ( 2.931 -0.687 15.974) 16.255 2.074 ( 7.163 5.762 2.023) 9.412 2.184 ( -5.463 3.755 -3.504) 7.498 2.271 ( 8.038 1.178 -9.645) 12.610 2.399 ( -6.373 -0.717 -4.756) 7.984 2.466 ( 1.285 -2.727 -8.729) 9.235 2.605 ( -7.420 -8.158 -1.545) 11.135 2.686 ( -0.925 2.597 -4.418) 5.207 3.002 ( 2.352 -8.532 1.750) 9.021 3.134 ( -5.475 -2.598 0.240) 6.064 3.226 ( -1.521 -6.421 -2.621) 7.100 3.502 ( -13.687 7.054 -1.847) 15.508 3.802 ( -6.713 9.727 -2.792) 12.144 3.828 ( -6.859 3.069 7.285) 10.466 3.977 ( -7.724 1.857 -9.753) 12.579 4.053 ( -6.373 1.995 -3.342) 7.468 4.326 ( -6.364 -4.232 5.320) 9.312 4.552 ( 1.595 7.504 -2.886) 8.196 4.559 ( -0.478 7.319 1.490) 7.485 4.839 ( -2.968 5.236 0.540) 6.043 4.965 ( 3.947 3.721 2.590) 6.011 5.111 ( -4.243 -7.197 4.944) 9.708 5.267 ( 5.935 -7.127 -0.725) 9.303 5.333 ( 3.505 -6.328 -7.594) 10.488 5.483 ( 1.797 -6.874 1.852) 7.342 5.585 ( -2.327 3.448 7.666) 8.722 5.847 ( -6.919 -5.530 0.987) 8.913 6.587 ( 14.858 7.224 -0.692) 16.536 6.805 ( 12.136 -3.426 -7.282) 14.562 7.068 ( 2.394 5.562 -0.245) 6.060 7.265 ( 1.199 -5.798 -1.678) 6.154 7.368 ( 3.744 8.322 0.953) 9.175 7.545 ( 3.313 -0.801 3.278) 4.729 8.355 ( -3.762 6.372 -0.478) 7.415 8.398 ( -4.790 4.795 4.019) 7.879 9.030 ( -2.265 6.236 -7.049) 9.680 9.037 ( -1.040 4.950 4.098) 6.509 9.287 ( -1.906 -6.608 -0.885) 6.934 9.485 ( -7.669 -11.532 2.240) 14.029 9.677 ( 1.011 7.235 -1.576) 7.473 9.836 ( -1.739 2.068 -1.005) 2.882 10.067 ( -1.409 -5.531 2.594) 6.270 10.120 ( -4.773 -6.825 0.043) 8.329 11.504 ( 2.914 2.382 2.502) 4.519 11.531 ( 4.220 1.240 3.466) 5.600 11.604 ( 7.946 0.870 -4.558) 9.202 11.661 ( 7.222 -0.843 -1.818) 7.495 14.365 ( 1.875 5.596 3.399) 6.811 14.494 ( -0.616 1.705 5.098) 5.411 14.762 ( 12.458 -6.048 0.059) 13.849 15.005 ( 12.571 -14.142 1.440) 18.976 15.256 ( -7.262 10.326 -2.774) 12.925 15.554 ( -2.567 -4.896 -1.099) 5.637 15.660 ( -11.047 11.127 -1.155) 15.722 16.007 ( -8.343 -4.516 -3.419) 10.084 18.321 ( 3.276 4.713 0.814) 5.797 18.401 ( 5.084 0.078 0.076) 5.086 18.975 ( -1.465 -0.626 -1.023) 1.893 18.998 ( -1.830 -1.087 0.623) 2.217 ======================= Grid point 222 (114/160) ======================= q-point: ( 0.30 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -5.293 0.513 11.109) 12.316 2.046 ( -2.948 3.143 -3.317) 5.438 2.122 ( -5.217 5.780 -5.297) 9.417 2.211 ( 4.388 -2.261 -1.556) 5.175 2.236 ( 6.658 1.054 -3.391) 7.546 2.360 ( -1.765 -3.625 -5.987) 7.218 2.425 ( 8.210 -1.552 3.162) 8.934 2.524 ( 1.842 -2.368 3.367) 4.510 2.612 ( -3.878 5.369 0.673) 6.657 2.997 ( 2.618 -8.921 -7.509) 11.951 3.042 ( -9.493 2.742 2.652) 10.231 3.224 ( 0.362 -5.313 5.255) 7.481 3.366 ( -3.083 1.489 0.282) 3.435 3.605 ( -12.092 4.411 -1.532) 12.962 3.722 ( -7.467 -6.191 -11.490) 15.037 3.762 ( -7.736 -2.546 0.048) 8.144 3.960 ( 0.063 5.127 -0.874) 5.201 4.297 ( -7.882 -10.182 4.511) 13.643 4.432 ( -3.732 8.668 -3.565) 10.089 4.538 ( -0.604 10.745 -3.732) 11.391 4.770 ( -2.623 -2.271 -1.720) 3.872 4.981 ( -5.819 0.874 2.742) 6.492 5.149 ( 3.353 -6.387 -2.385) 7.598 5.216 ( 0.272 -1.839 0.200) 1.870 5.449 ( 4.669 -2.648 -0.381) 5.381 5.487 ( 1.786 1.187 -0.409) 2.183 5.693 ( 1.435 -0.645 5.061) 5.300 5.792 ( -2.847 -1.380 1.096) 3.349 6.760 ( 7.296 6.524 -1.922) 9.974 6.883 ( 5.565 0.678 -3.312) 6.511 7.147 ( 7.639 4.385 -2.159) 9.069 7.249 ( 0.799 -2.403 -2.990) 3.918 7.463 ( 3.712 8.350 2.669) 9.520 7.637 ( 3.444 0.771 2.484) 4.315 8.308 ( -0.369 1.291 -2.421) 2.769 8.351 ( -5.435 3.742 4.883) 8.209 8.937 ( -1.014 5.387 -3.319) 6.408 9.077 ( 0.556 1.083 3.368) 3.581 9.242 ( -2.857 -6.689 0.610) 7.299 9.361 ( -9.015 -10.087 0.322) 13.532 9.634 ( 0.543 7.958 -3.282) 8.625 9.856 ( 0.286 5.330 1.306) 5.495 10.001 ( -2.847 -7.509 -2.653) 8.457 10.093 ( -3.970 -4.817 3.620) 7.216 11.545 ( 3.683 4.265 -1.709) 5.889 11.660 ( 4.061 -0.764 4.540) 6.139 11.711 ( 7.144 -0.092 -0.610) 7.171 11.764 ( 6.210 -2.024 -0.624) 6.561 14.475 ( 2.067 7.101 8.741) 11.451 14.570 ( -0.100 4.912 8.942) 10.203 14.960 ( 6.132 -1.954 -0.455) 6.452 15.116 ( -0.505 9.522 -2.648) 9.897 15.171 ( -0.316 -6.215 0.260) 6.229 15.397 ( -1.438 -0.068 -1.188) 1.867 15.612 ( 1.708 -1.767 -4.265) 4.923 15.809 ( -6.774 -3.884 -7.112) 10.562 18.374 ( 0.911 4.273 1.804) 4.727 18.462 ( 0.743 -0.427 1.107) 1.400 18.943 ( -0.004 0.032 -1.520) 1.520 18.978 ( -0.967 -1.005 0.018) 1.394 ======================= Grid point 223 (115/160) ======================= q-point: ( 0.40 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -8.699 7.480 -2.781) 11.805 1.993 ( 2.154 2.407 -6.398) 7.167 2.064 ( -1.296 -1.272 -6.044) 6.311 2.134 ( -1.574 -4.959 -4.752) 7.047 2.281 ( 1.585 0.637 1.496) 2.271 2.410 ( 10.389 -2.727 -0.287) 10.745 2.577 ( -0.330 1.485 0.725) 1.685 2.636 ( 6.805 4.563 7.611) 11.183 2.687 ( 5.298 -1.496 5.454) 7.749 2.885 ( -12.595 5.443 3.400) 14.136 2.981 ( 5.552 -6.317 -5.862) 10.251 3.196 ( -10.042 -3.274 -3.234) 11.047 3.282 ( -5.905 0.067 -1.759) 6.162 3.494 ( -4.554 -4.979 0.660) 6.779 3.528 ( -1.782 -8.993 -1.484) 9.287 3.605 ( -6.726 -8.884 -1.185) 11.205 3.990 ( 2.761 4.399 1.798) 5.496 4.204 ( -3.263 -3.245 2.580) 5.276 4.406 ( -1.389 4.266 3.650) 5.784 4.510 ( 1.283 8.699 -2.021) 9.022 4.713 ( -3.663 -1.603 0.192) 4.003 4.920 ( 1.496 -0.696 -3.815) 4.156 5.088 ( -0.593 0.463 -9.310) 9.340 5.285 ( -0.036 -4.114 2.797) 4.975 5.438 ( -1.777 -1.429 -0.471) 2.329 5.552 ( 4.447 -0.851 -0.697) 4.581 5.711 ( -1.930 0.931 -0.546) 2.211 5.751 ( -2.291 1.374 -0.161) 2.676 6.812 ( 2.409 7.769 -1.717) 8.313 6.932 ( 2.814 2.270 -0.304) 3.629 7.223 ( 1.076 2.240 -3.793) 4.535 7.239 ( 5.512 2.693 -2.786) 6.737 7.535 ( 0.960 5.978 2.719) 6.637 7.701 ( 2.037 -1.676 -0.531) 2.691 8.264 ( -2.243 4.693 1.574) 5.434 8.372 ( 0.416 2.567 2.987) 3.961 8.919 ( 1.755 0.731 -0.651) 2.009 9.128 ( -2.151 -2.658 5.162) 6.192 9.209 ( -4.551 -5.954 -2.465) 7.889 9.225 ( -1.570 -4.533 1.836) 5.137 9.640 ( 3.772 6.733 -2.489) 8.109 9.822 ( -3.752 5.734 -1.067) 6.935 9.958 ( -0.391 -7.074 -1.149) 7.178 10.045 ( -3.999 -4.205 0.372) 5.815 11.602 ( 3.318 4.167 1.061) 5.431 11.758 ( 0.839 -2.480 3.921) 4.714 11.794 ( 3.494 0.873 -0.287) 3.613 11.857 ( 5.352 -1.900 -0.266) 5.686 14.615 ( 0.214 6.700 11.171) 13.028 14.686 ( -1.761 6.139 12.412) 13.958 14.895 ( -4.018 11.237 -1.947) 12.092 15.034 ( -8.179 6.761 -0.759) 10.638 15.237 ( 9.685 -2.585 -2.371) 10.300 15.488 ( 7.663 -8.209 -3.766) 11.844 15.553 ( 0.163 -2.366 -7.619) 7.980 15.657 ( -1.867 -2.965 -4.749) 5.902 18.394 ( -0.258 2.180 0.925) 2.382 18.453 ( -2.436 -0.200 0.980) 2.633 18.944 ( 1.420 0.262 -0.680) 1.596 18.966 ( -0.404 -0.287 -0.136) 0.514 ======================= Grid point 224 (116/160) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -1.258 3.898 0.556) 4.134 1.917 ( -1.544 -0.858 -11.235) 11.373 1.963 ( 0.643 -1.213 -4.302) 4.516 2.053 ( 1.509 -6.421 -7.767) 10.190 2.405 ( 3.633 3.756 6.438) 8.292 2.546 ( 0.854 -0.868 0.786) 1.449 2.606 ( 2.712 5.988 -0.547) 6.596 2.735 ( -1.634 0.011 -0.222) 1.649 2.757 ( 0.104 2.295 0.816) 2.438 2.831 ( 4.140 3.994 7.358) 9.340 2.958 ( -6.652 -3.946 -6.417) 10.049 3.033 ( 3.738 -1.669 -1.373) 4.318 3.225 ( -3.404 -7.674 -1.450) 8.519 3.306 ( -2.202 -9.413 0.109) 9.667 3.569 ( -0.866 -5.622 0.470) 5.708 3.575 ( 2.323 -7.378 -0.991) 7.798 4.135 ( 5.784 -0.556 7.841) 9.759 4.194 ( -5.642 1.078 6.657) 8.793 4.440 ( -3.578 2.518 3.618) 5.677 4.532 ( 4.470 7.242 -0.472) 8.524 4.702 ( 2.534 -0.264 3.226) 4.111 4.917 ( -0.545 6.412 -9.424) 11.412 4.943 ( 2.866 -3.994 -8.358) 9.696 5.166 ( -6.472 -5.784 -8.981) 12.490 5.476 ( 1.848 1.668 5.307) 5.862 5.609 ( 2.129 -2.292 0.717) 3.210 5.666 ( -2.552 1.822 -1.372) 3.422 5.706 ( -1.537 -0.377 -0.706) 1.732 6.834 ( 1.322 5.973 1.012) 6.201 6.944 ( -0.805 1.555 -2.190) 2.804 7.205 ( 1.221 6.447 -1.641) 6.763 7.264 ( 2.948 3.257 -4.822) 6.523 7.559 ( -2.104 2.505 3.226) 4.594 7.690 ( -0.268 -3.637 -2.873) 4.642 8.269 ( -3.716 8.318 5.240) 10.510 8.407 ( 2.510 3.949 -0.377) 4.694 8.964 ( -0.887 -3.165 2.427) 4.086 9.046 ( -3.146 -4.971 0.038) 5.883 9.226 ( 0.303 -2.359 1.711) 2.930 9.250 ( 3.724 -2.875 0.963) 4.802 9.694 ( 5.123 5.822 -1.342) 7.870 9.735 ( -3.931 5.842 -2.374) 7.431 9.934 ( -1.941 -4.924 0.585) 5.325 10.000 ( 0.562 -5.756 -1.925) 6.096 11.658 ( -0.905 2.903 3.218) 4.427 11.766 ( -0.955 -0.661 -0.250) 1.188 11.837 ( -0.225 0.544 1.840) 1.931 11.920 ( 2.246 -2.149 -0.386) 3.132 14.724 ( -3.790 5.224 11.549) 13.230 14.756 ( -6.052 6.970 10.628) 14.077 14.874 ( 3.871 11.393 -0.672) 12.052 14.981 ( 0.700 6.212 3.583) 7.205 15.269 ( 1.374 -0.598 -8.609) 8.739 15.428 ( 2.608 -0.819 -11.650) 11.967 15.541 ( -4.284 -5.598 1.456) 7.198 15.635 ( 5.118 -5.161 -4.191) 8.390 18.388 ( -1.560 1.296 1.208) 2.361 18.446 ( 2.155 -1.065 -0.746) 2.517 18.954 ( -1.264 0.595 0.206) 1.412 18.961 ( 0.603 0.219 -0.031) 0.642 ======================= Grid point 225 (117/160) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -2.811 3.774 -3.492) 5.860 1.878 ( 6.422 -3.269 -1.310) 7.324 1.917 ( -1.840 1.416 -0.918) 2.497 2.015 ( 2.995 -5.482 -3.530) 7.176 2.454 ( -4.020 2.077 0.827) 4.600 2.516 ( -5.606 1.479 -1.112) 5.904 2.526 ( 0.388 -0.348 1.133) 1.247 2.752 ( 2.825 -2.939 -10.037) 10.833 2.824 ( -2.145 1.723 -1.662) 3.215 2.884 ( 7.185 3.690 6.220) 10.195 3.026 ( 8.025 2.243 3.742) 9.134 3.095 ( 6.217 -0.422 0.763) 6.278 3.121 ( 0.772 0.663 -0.907) 1.363 3.464 ( 9.321 -13.341 1.737) 16.367 3.554 ( -1.286 -5.904 -0.191) 6.046 3.587 ( 3.368 -7.010 -3.295) 8.447 4.053 ( -10.661 7.578 3.287) 13.486 4.402 ( 5.328 -3.940 11.281) 13.084 4.407 ( -3.501 2.930 0.850) 4.644 4.551 ( -0.257 4.980 -3.112) 5.878 4.650 ( -5.355 3.522 -10.409) 12.224 4.918 ( 3.330 -1.312 6.553) 7.467 4.946 ( 6.552 -3.249 -4.180) 8.424 5.023 ( 2.219 -4.230 -6.123) 7.766 5.572 ( -0.230 2.037 -1.996) 2.861 5.581 ( -0.972 -0.269 1.975) 2.218 5.644 ( -0.114 0.355 3.433) 3.454 5.699 ( 1.550 -3.380 -0.649) 3.775 6.851 ( -4.834 5.319 -2.922) 7.758 6.877 ( 0.180 3.082 1.584) 3.470 7.204 ( 0.419 4.739 -2.628) 5.435 7.256 ( 2.451 3.968 -3.017) 5.555 7.543 ( -4.670 0.996 3.617) 5.990 7.650 ( -0.968 -2.682 -1.453) 3.200 8.228 ( -6.091 7.111 2.870) 9.794 8.446 ( 0.863 1.334 0.265) 1.611 8.911 ( -2.249 1.922 0.393) 2.985 9.082 ( 0.021 0.155 2.058) 2.064 9.260 ( 4.496 -4.979 0.460) 6.724 9.321 ( 3.272 -5.091 -0.945) 6.125 9.646 ( -2.382 6.947 -2.840) 7.874 9.776 ( 5.220 5.808 0.100) 7.810 9.932 ( 1.204 -5.340 0.845) 5.539 10.023 ( 3.533 -6.349 -0.159) 7.267 11.602 ( -8.095 3.671 1.123) 8.959 11.755 ( -3.611 -3.028 2.452) 5.312 11.822 ( -1.504 1.878 -0.564) 2.471 11.920 ( -1.017 -1.863 -1.312) 2.495 14.752 ( -3.176 8.053 6.274) 10.691 14.817 ( -2.660 3.983 13.143) 13.989 14.973 ( 5.547 5.382 -0.523) 7.746 15.069 ( 0.263 0.819 6.236) 6.295 15.155 ( -0.196 4.561 -8.096) 9.295 15.317 ( 0.397 0.897 -13.100) 13.137 15.448 ( -6.307 -1.321 1.129) 6.542 15.666 ( 3.466 -7.318 -3.638) 8.877 18.394 ( 0.856 2.880 1.180) 3.228 18.497 ( 4.647 -2.500 -1.313) 5.437 18.924 ( -2.663 0.930 0.369) 2.844 18.961 ( -0.583 -0.295 0.187) 0.680 ======================= Grid point 226 (118/160) ======================= q-point: (-0.30 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -0.726 9.829 3.102) 10.332 1.851 ( -4.619 7.635 2.502) 9.268 1.968 ( 3.510 -5.964 0.524) 6.940 2.120 ( 6.397 -4.074 4.606) 8.874 2.407 ( -0.894 -1.383 -0.031) 1.647 2.494 ( 5.080 -0.464 -3.520) 6.198 2.548 ( 0.148 -4.801 2.643) 5.483 2.648 ( 0.541 -6.345 -8.752) 10.823 2.732 ( -2.345 6.321 -6.952) 9.684 3.069 ( 2.807 -3.905 -4.003) 6.257 3.091 ( 5.908 7.843 5.476) 11.243 3.211 ( 7.237 5.426 -3.244) 9.610 3.302 ( 9.111 4.157 4.742) 11.080 3.462 ( -6.538 -6.108 3.443) 9.587 3.528 ( -2.224 -8.227 -2.499) 8.882 3.661 ( 5.693 4.325 -2.608) 7.611 4.057 ( 6.713 -2.059 6.273) 9.415 4.263 ( -7.006 4.067 -7.876) 11.298 4.444 ( 0.891 1.327 -1.072) 1.925 4.499 ( -4.500 -1.151 4.987) 6.815 4.701 ( 7.240 1.198 3.744) 8.238 4.926 ( 3.526 -2.548 -4.481) 6.246 5.038 ( 4.550 -4.368 -2.098) 6.647 5.118 ( 0.899 -6.181 9.511) 11.379 5.468 ( -3.285 3.407 -4.521) 6.545 5.592 ( -1.696 -3.784 1.027) 4.272 5.721 ( 3.303 -0.635 1.254) 3.590 5.766 ( 6.286 -0.999 1.845) 6.627 6.701 ( -9.581 8.619 -1.085) 12.933 6.871 ( -2.662 1.561 -1.443) 3.407 7.173 ( -0.018 3.426 -2.398) 4.182 7.252 ( 0.008 -0.977 -1.939) 2.171 7.485 ( -5.734 5.593 2.039) 8.266 7.627 ( -2.041 -0.780 1.051) 2.425 8.170 ( -3.801 3.407 2.937) 5.889 8.421 ( -4.042 -4.419 1.223) 6.112 8.939 ( 5.737 9.906 -1.612) 11.560 9.074 ( -2.258 3.579 1.801) 4.600 9.321 ( 0.155 -6.095 -1.997) 6.416 9.394 ( 8.749 -7.686 0.492) 11.656 9.604 ( 1.413 7.763 -2.698) 8.339 9.859 ( 3.415 6.754 1.054) 7.641 9.986 ( 5.217 -7.946 -1.786) 9.672 10.110 ( 4.806 -5.721 2.582) 7.905 11.451 ( -10.813 5.602 1.318) 12.249 11.647 ( -11.786 -3.240 2.233) 12.426 11.800 ( -0.419 -0.011 -1.581) 1.636 11.859 ( -3.199 -1.235 -2.720) 4.377 14.780 ( -1.614 7.611 2.511) 8.175 14.903 ( -6.217 -1.206 4.614) 7.836 14.953 ( -1.384 -1.128 -0.805) 1.959 15.077 ( -7.272 -5.617 10.449) 13.914 15.134 ( -1.373 3.074 -14.475) 14.861 15.186 ( 5.123 3.729 -0.262) 6.342 15.441 ( 5.193 6.435 0.957) 8.324 15.698 ( 6.511 -4.752 -2.610) 8.473 18.432 ( 1.929 4.244 0.177) 4.665 18.540 ( 1.546 -1.851 -1.808) 3.014 18.886 ( -1.891 0.373 0.741) 2.065 18.954 ( -0.403 -1.219 0.531) 1.389 ======================= Grid point 227 (119/160) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -2.613 10.482 8.168) 13.544 1.859 ( -0.679 17.855 8.904) 19.964 2.054 ( 3.561 -7.196 3.690) 8.836 2.247 ( 1.366 -2.182 3.348) 4.223 2.366 ( -1.051 -3.906 -5.274) 6.646 2.511 ( 6.245 -1.134 -13.064) 14.524 2.587 ( 2.302 -7.476 -1.862) 8.041 2.652 ( 3.559 -5.927 -2.744) 7.438 2.678 ( 5.568 1.858 5.320) 7.922 2.965 ( 0.782 -4.789 -15.530) 16.271 3.120 ( -5.966 4.994 -2.187) 8.082 3.313 ( 2.651 8.118 13.085) 15.626 3.396 ( -5.907 -7.666 -6.496) 11.655 3.472 ( 8.045 10.243 2.936) 13.351 3.558 ( 4.345 -2.000 8.809) 10.024 3.697 ( 0.798 13.132 2.289) 13.354 4.163 ( 2.043 8.740 0.004) 8.976 4.314 ( 9.956 -10.532 5.026) 15.340 4.437 ( -3.738 1.837 1.402) 4.394 4.504 ( 3.129 -5.343 0.331) 6.201 4.873 ( 9.437 0.979 1.386) 9.588 4.942 ( 0.427 -2.136 1.135) 2.456 5.090 ( 0.946 -5.060 1.696) 5.420 5.181 ( -2.046 -4.237 4.422) 6.457 5.364 ( -3.013 3.924 -4.081) 6.413 5.579 ( 0.383 -6.981 -1.397) 7.130 5.796 ( 5.228 1.036 -1.048) 5.432 5.898 ( 7.564 -2.436 0.169) 7.948 6.514 ( -12.969 6.878 2.683) 14.923 6.716 ( -11.039 -0.933 -5.941) 12.571 7.154 ( 0.610 2.625 -1.821) 3.252 7.227 ( -0.383 -3.615 -0.638) 3.691 7.411 ( -4.491 9.597 -0.153) 10.597 7.585 ( -4.035 2.556 0.894) 4.859 8.182 ( -0.653 -0.216 4.694) 4.744 8.379 ( -3.510 -5.593 4.217) 7.835 9.024 ( 6.862 12.086 -4.393) 14.576 9.073 ( 0.536 3.219 1.298) 3.512 9.302 ( 0.587 -3.583 -0.877) 3.735 9.548 ( 8.146 -8.448 0.460) 11.745 9.634 ( 4.827 5.997 -1.071) 7.773 9.894 ( 0.240 5.794 -1.582) 6.011 10.055 ( 6.030 -7.446 -2.345) 9.864 10.221 ( 4.885 -6.244 1.008) 7.992 11.297 ( -10.638 6.656 4.435) 13.310 11.446 ( -14.721 -0.622 3.317) 15.103 11.754 ( -2.300 -1.293 -3.519) 4.398 11.765 ( -2.427 -1.411 -3.435) 4.436 14.684 ( -4.993 -0.342 -6.213) 7.978 14.758 ( -11.816 -4.741 -0.435) 12.739 14.867 ( -2.608 2.047 -10.381) 10.898 15.012 ( -6.231 0.512 3.116) 6.985 15.086 ( -0.096 -1.278 1.841) 2.243 15.298 ( 1.397 -6.780 10.605) 12.665 15.632 ( 15.570 9.875 -0.348) 18.441 15.849 ( 11.763 -0.037 0.798) 11.790 18.434 ( -0.739 3.967 -2.397) 4.693 18.486 ( -4.345 0.449 -2.843) 5.212 18.894 ( 1.029 -0.341 1.711) 2.026 18.970 ( 1.021 -1.852 1.250) 2.457 ======================= Grid point 228 (120/160) ======================= q-point: (-0.10 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -6.621 10.842 6.466) 14.254 1.947 ( -3.129 17.029 5.857) 18.278 2.077 ( -4.285 -3.694 -3.148) 6.474 2.267 ( 1.886 0.450 5.170) 5.521 2.365 ( 5.071 -3.290 -4.126) 7.319 2.483 ( 5.784 0.563 -7.132) 9.200 2.564 ( 0.925 -12.437 -7.173) 14.387 2.670 ( 6.234 -6.195 -10.006) 13.317 2.779 ( 1.641 -2.805 -2.700) 4.226 2.904 ( 1.392 -5.380 4.383) 7.077 3.089 ( 1.500 -0.951 3.472) 3.899 3.253 ( -2.000 -5.829 -2.358) 6.598 3.491 ( 0.974 16.707 13.092) 21.248 3.664 ( 6.971 9.043 8.184) 14.048 3.727 ( 2.616 6.169 10.459) 12.422 3.789 ( 2.951 6.471 8.891) 11.386 4.251 ( 3.971 10.143 2.960) 11.288 4.386 ( -1.187 -3.431 -0.928) 3.747 4.459 ( 3.217 -2.637 1.366) 4.378 4.591 ( 5.735 -7.393 0.924) 9.402 4.912 ( -7.692 6.333 -0.380) 9.971 4.956 ( -3.644 3.212 -2.767) 5.591 5.075 ( -2.945 -3.518 3.769) 5.938 5.248 ( 4.776 -4.860 -0.037) 6.814 5.291 ( 3.017 -3.063 -4.030) 5.892 5.557 ( -0.971 -9.138 -2.905) 9.637 5.845 ( 5.528 4.085 -4.486) 8.208 6.067 ( 14.334 -4.869 -0.885) 15.165 6.352 ( -12.697 0.656 6.428) 14.246 6.392 ( -16.784 -0.022 -6.896) 18.146 7.147 ( 1.850 1.019 -2.875) 3.567 7.233 ( 0.440 -5.297 0.473) 5.336 7.320 ( -4.164 10.658 -1.784) 11.581 7.534 ( -2.912 2.031 0.254) 3.560 8.224 ( -1.478 1.627 5.545) 5.965 8.426 ( -0.470 -4.027 8.494) 9.412 9.032 ( 1.331 9.582 -4.778) 10.790 9.121 ( 3.310 4.772 -0.156) 5.810 9.337 ( 4.611 0.701 -1.114) 4.795 9.659 ( 4.874 -7.807 -1.882) 9.394 9.725 ( 5.169 0.175 0.885) 5.247 9.818 ( -4.597 3.030 -3.919) 6.758 10.132 ( 5.174 -5.066 -1.487) 7.393 10.272 ( 2.234 -7.102 -2.960) 8.012 11.221 ( -6.919 6.228 8.511) 12.613 11.282 ( -10.648 2.781 7.508) 13.322 11.663 ( -1.083 0.253 -5.430) 5.542 11.694 ( -1.149 -2.127 -4.679) 5.267 14.512 ( -4.022 -1.148 -7.788) 8.840 14.594 ( -7.431 -7.544 -0.892) 10.626 14.700 ( -1.250 1.141 -8.754) 8.917 14.850 ( -9.572 -7.166 -2.823) 12.286 15.207 ( 4.429 4.510 6.995) 9.428 15.416 ( -0.903 -5.445 8.091) 9.794 15.898 ( 14.570 6.821 0.278) 16.090 16.055 ( 8.079 0.234 2.637) 8.502 18.345 ( -3.565 2.799 -5.138) 6.852 18.376 ( -3.886 2.827 -2.622) 5.474 18.945 ( 1.692 -0.575 2.383) 2.978 19.004 ( 0.837 -1.842 1.357) 2.436 ======================= Grid point 229 (121/160) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -6.109 -6.271 -1.006) 8.813 1.840 ( -6.109 6.271 -1.006) 8.813 2.177 ( -1.455 -8.811 -3.604) 9.630 2.177 ( -1.455 8.811 -3.604) 9.630 2.450 ( 5.560 -4.847 -2.870) 7.915 2.450 ( 5.560 4.847 -2.870) 7.915 2.561 ( 5.656 -5.241 0.306) 7.717 2.561 ( 5.656 5.241 0.306) 7.717 2.735 ( -5.024 -4.688 -3.006) 7.500 2.735 ( -5.024 4.688 -3.006) 7.500 3.184 ( 3.447 -3.356 1.807) 5.139 3.184 ( 3.447 3.356 1.807) 5.139 3.876 ( -3.409 -0.422 16.439) 16.794 3.876 ( -3.409 0.422 16.439) 16.794 4.135 ( 7.821 -5.373 4.558) 10.527 4.135 ( 7.821 5.373 4.558) 10.527 4.370 ( -2.853 -11.989 9.800) 15.745 4.370 ( -2.853 11.989 9.800) 15.745 4.568 ( 6.544 -6.119 -0.356) 8.966 4.568 ( 6.544 6.119 -0.356) 8.966 4.777 ( -11.554 -3.263 -4.420) 12.794 4.777 ( -11.554 3.263 -4.420) 12.794 5.134 ( -2.162 -5.883 -2.271) 6.667 5.134 ( -2.162 5.883 -2.271) 6.667 5.253 ( 2.105 -6.669 -7.692) 10.396 5.253 ( 2.105 6.669 -7.692) 10.396 6.107 ( -14.364 -4.209 0.809) 14.990 6.107 ( -14.364 4.209 0.809) 14.990 6.192 ( 17.154 -8.129 -2.186) 19.108 6.192 ( 17.154 8.129 -2.186) 19.108 7.160 ( 0.276 -1.415 -0.276) 1.468 7.160 ( 0.276 1.415 -0.276) 1.468 7.416 ( -0.971 -4.884 -3.238) 5.940 7.416 ( -0.971 4.884 -3.238) 5.940 8.424 ( -1.543 -6.381 10.603) 12.471 8.424 ( -1.543 6.381 10.603) 12.471 9.172 ( 0.401 -5.582 1.623) 5.827 9.172 ( 0.401 5.582 1.623) 5.827 9.476 ( 1.778 -7.710 -8.705) 11.764 9.476 ( 1.778 7.710 -8.705) 11.764 9.746 ( -0.795 -2.947 0.147) 3.056 9.746 ( -0.795 2.947 0.147) 3.056 10.135 ( -0.268 -2.675 -2.420) 3.617 10.135 ( -0.268 2.675 -2.420) 3.617 11.316 ( -2.056 -1.056 8.709) 9.011 11.316 ( -2.056 1.056 8.709) 9.011 11.617 ( 2.044 -0.692 -5.565) 5.968 11.617 ( 2.044 0.692 -5.565) 5.968 14.397 ( -0.889 -0.672 -3.409) 3.586 14.397 ( -0.889 0.672 -3.409) 3.586 14.624 ( -1.544 -1.088 -3.414) 3.901 14.624 ( -1.544 1.088 -3.414) 3.901 15.406 ( 1.187 -2.838 4.709) 5.625 15.406 ( 1.187 2.838 4.709) 5.625 16.130 ( 0.935 -0.559 1.193) 1.615 16.130 ( 0.935 0.559 1.193) 1.615 18.313 ( -0.014 -0.960 -3.486) 3.616 18.313 ( -0.014 0.960 -3.486) 3.616 18.992 ( -0.049 -1.073 1.673) 1.988 18.992 ( -0.049 1.073 1.673) 1.988 ======================= Grid point 231 (122/160) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -0.857 -3.289 6.297) 7.156 1.806 ( -0.857 3.289 6.297) 7.156 2.141 ( 1.509 -6.659 -2.327) 7.214 2.141 ( 1.509 6.659 -2.327) 7.214 2.436 ( 1.986 -6.017 -8.075) 10.264 2.436 ( 1.986 6.017 -8.075) 10.264 2.586 ( -5.006 -5.152 -3.034) 7.798 2.586 ( -5.006 5.152 -3.034) 7.798 2.724 ( 5.182 -7.344 4.244) 9.940 2.724 ( 5.182 7.344 4.244) 9.940 3.210 ( -0.507 -1.792 -2.415) 3.050 3.210 ( -0.507 1.792 -2.415) 3.050 3.879 ( -12.724 -4.037 7.667) 15.394 3.879 ( -12.724 4.037 7.667) 15.394 4.160 ( -5.903 -6.002 -1.886) 8.627 4.160 ( -5.903 6.002 -1.886) 8.627 4.351 ( -13.995 -7.333 0.458) 15.806 4.351 ( -13.995 7.333 0.458) 15.806 4.604 ( 5.449 -6.837 5.251) 10.199 4.604 ( 5.449 6.837 5.251) 10.199 4.825 ( 10.808 -4.578 3.595) 12.276 4.825 ( 10.808 4.578 3.595) 12.276 5.063 ( -1.740 -8.425 2.072) 8.849 5.063 ( -1.740 8.425 2.072) 8.849 5.239 ( 4.265 -3.523 -7.131) 9.025 5.239 ( 4.265 3.523 -7.131) 9.025 5.863 ( -13.273 -7.573 0.358) 15.285 5.863 ( -13.273 7.573 0.358) 15.285 6.481 ( 18.556 -7.956 -3.186) 20.440 6.481 ( 18.556 7.956 -3.186) 20.440 7.156 ( 0.041 -3.447 -0.752) 3.528 7.156 ( 0.041 3.447 -0.752) 3.528 7.412 ( 2.902 -2.487 -0.118) 3.824 7.412 ( 2.902 2.487 -0.118) 3.824 8.484 ( -3.937 -3.478 6.544) 8.392 8.484 ( -3.937 3.478 6.544) 8.392 9.183 ( -1.504 -8.048 1.003) 8.248 9.183 ( -1.504 8.048 1.003) 8.248 9.348 ( -3.997 -9.164 -6.477) 11.913 9.348 ( -3.997 9.164 -6.477) 11.913 9.782 ( 2.845 -6.389 1.113) 7.081 9.782 ( 2.845 6.389 1.113) 7.081 10.076 ( -3.738 -3.786 -1.160) 5.445 10.076 ( -3.738 3.786 -1.160) 5.445 11.415 ( 2.048 -1.245 7.307) 7.690 11.415 ( 2.048 1.245 7.307) 7.690 11.605 ( 4.760 -0.664 -6.275) 7.904 11.605 ( 4.760 0.664 -6.275) 7.904 14.394 ( 3.417 -2.801 -1.132) 4.561 14.394 ( 3.417 2.801 -1.132) 4.561 14.628 ( 4.501 -4.798 0.231) 6.583 14.628 ( 4.501 4.798 0.231) 6.583 15.454 ( 0.421 -3.291 0.974) 3.457 15.454 ( 0.421 3.291 0.974) 3.457 16.064 ( -8.863 -5.114 -0.216) 10.235 16.064 ( -8.863 5.114 -0.216) 10.235 18.319 ( 3.994 -1.063 -1.625) 4.441 18.319 ( 3.994 1.063 -1.625) 4.441 18.997 ( -1.210 -0.712 0.893) 1.663 18.997 ( -1.210 0.712 0.893) 1.663 ======================= Grid point 233 (123/160) ======================= q-point: ( 0.20 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 0.080 -1.507 12.160) 12.253 1.926 ( 0.080 1.507 12.160) 12.253 2.193 ( 7.077 -5.271 -1.117) 8.895 2.193 ( 7.077 5.271 -1.117) 8.895 2.349 ( -1.560 -8.040 -5.591) 9.917 2.349 ( -1.560 8.040 -5.591) 9.917 2.453 ( -4.597 -4.203 -5.732) 8.464 2.453 ( -4.597 4.203 -5.732) 8.464 2.826 ( 2.233 -8.769 0.102) 9.049 2.826 ( 2.233 8.769 0.102) 9.049 3.134 ( -2.760 -2.436 -2.531) 4.468 3.134 ( -2.760 2.436 -2.531) 4.468 3.683 ( -13.511 -10.045 1.028) 16.867 3.683 ( -13.511 10.045 1.027) 16.867 4.000 ( -9.464 -2.718 -5.086) 11.082 4.000 ( -9.464 2.718 -5.086) 11.082 4.156 ( -9.249 -9.312 3.123) 13.492 4.156 ( -9.249 9.312 3.123) 13.492 4.685 ( 1.450 -4.008 -1.499) 4.518 4.685 ( 1.450 4.008 -1.499) 4.518 4.908 ( -4.948 -9.213 0.253) 10.461 4.908 ( -4.948 9.213 0.253) 10.461 5.113 ( 2.489 -7.922 -0.303) 8.309 5.113 ( 2.489 7.922 -0.303) 8.309 5.327 ( 9.706 -5.569 3.316) 11.671 5.327 ( 9.706 5.569 3.316) 11.671 5.718 ( -4.770 -7.103 2.211) 8.837 5.718 ( -4.770 7.103 2.211) 8.837 6.715 ( 14.306 -5.301 -4.491) 15.904 6.715 ( 14.306 5.301 -4.491) 15.904 7.162 ( 2.485 -4.325 -1.288) 5.152 7.162 ( 2.485 4.325 -1.288) 5.152 7.495 ( 4.205 -4.232 3.074) 6.712 7.495 ( 4.205 4.232 3.074) 6.712 8.441 ( -5.387 -1.293 0.431) 5.557 8.441 ( -5.387 1.293 0.431) 5.557 9.137 ( -4.476 -5.505 1.117) 7.183 9.137 ( -4.476 5.505 1.117) 7.183 9.241 ( -3.237 -10.811 -1.884) 11.441 9.241 ( -3.237 10.811 -1.884) 11.441 9.827 ( 1.707 -5.463 -1.209) 5.850 9.827 ( 1.707 5.463 -1.209) 5.850 10.008 ( -3.959 -2.446 1.944) 5.043 10.008 ( -3.959 2.446 1.944) 5.043 11.534 ( 3.219 -0.687 4.620) 5.673 11.534 ( 3.219 0.687 4.620) 5.673 11.636 ( 6.995 -1.639 -4.812) 8.647 11.636 ( 6.995 1.639 -4.812) 8.647 14.471 ( 3.294 -4.269 4.244) 6.862 14.471 ( 3.294 4.269 4.244) 6.862 14.774 ( 11.189 -7.440 0.990) 13.473 14.774 ( 11.189 7.440 0.990) 13.473 15.432 ( -2.505 -7.054 -2.364) 7.850 15.432 ( -2.505 7.054 -2.364) 7.850 15.871 ( -10.737 -8.750 -2.184) 14.022 15.871 ( -10.737 8.750 -2.184) 14.022 18.386 ( 3.984 -1.818 0.437) 4.400 18.386 ( 3.984 1.818 0.437) 4.400 18.976 ( -1.514 -0.809 -0.095) 1.719 18.976 ( -1.514 0.809 -0.095) 1.719 ======================= Grid point 235 (124/160) ======================= q-point: ( 0.30 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -3.343 -2.163 9.523) 10.322 2.035 ( -3.343 2.163 9.523) 10.322 2.186 ( 0.953 -3.294 -9.646) 10.237 2.186 ( 0.953 3.294 -9.646) 10.237 2.303 ( -2.265 -3.343 -7.250) 8.299 2.303 ( -2.265 3.343 -7.250) 8.299 2.436 ( 8.009 -3.154 7.246) 11.251 2.436 ( 8.009 3.154 7.246) 11.251 2.798 ( -0.202 -10.192 -4.178) 11.017 2.798 ( -0.202 10.192 -4.178) 11.017 3.117 ( -1.305 -4.545 3.202) 5.711 3.117 ( -1.305 4.545 3.202) 5.711 3.492 ( -10.805 -10.239 1.362) 14.948 3.492 ( -10.805 10.239 1.362) 14.948 3.718 ( -13.522 -4.786 -6.690) 15.828 3.718 ( -13.522 4.786 -6.690) 15.828 4.103 ( -3.442 -8.374 3.020) 9.545 4.103 ( -3.442 8.374 3.020) 9.545 4.627 ( -4.707 -9.564 -2.413) 10.929 4.627 ( -4.707 9.564 -2.413) 10.929 4.805 ( -0.209 -13.247 -5.037) 14.174 4.805 ( -0.209 13.247 -5.037) 14.174 5.164 ( 1.060 -3.866 2.699) 4.833 5.164 ( 1.060 3.866 2.699) 4.833 5.459 ( 4.121 -3.196 -1.517) 5.431 5.459 ( 4.121 3.196 -1.517) 5.431 5.737 ( 0.537 -3.634 3.387) 4.997 5.737 ( 0.537 3.634 3.387) 4.997 6.859 ( 8.516 -3.022 -3.382) 9.648 6.859 ( 8.516 3.022 -3.382) 9.648 7.205 ( 4.310 -1.986 -1.781) 5.069 7.205 ( 4.310 1.986 -1.781) 5.069 7.597 ( 3.116 -4.603 2.597) 6.135 7.597 ( 3.116 4.603 2.597) 6.135 8.357 ( -3.051 -2.321 -0.226) 3.840 8.357 ( -3.051 2.321 -0.226) 3.840 9.082 ( -6.091 -4.731 3.873) 8.630 9.082 ( -6.091 4.731 3.873) 8.630 9.174 ( -1.284 -4.129 -2.302) 4.898 9.174 ( -1.284 4.129 -2.302) 4.898 9.811 ( 0.134 -8.833 -2.722) 9.244 9.811 ( 0.134 8.833 -2.722) 9.244 9.986 ( -2.940 -5.417 2.575) 6.680 9.986 ( -2.940 5.417 2.575) 6.680 11.621 ( 3.111 -2.990 1.800) 4.676 11.621 ( 3.111 2.990 1.800) 4.676 11.727 ( 6.985 -1.450 -0.985) 7.202 11.727 ( 6.985 1.450 -0.985) 7.202 14.594 ( 2.103 -3.565 8.528) 9.479 14.594 ( 2.103 3.565 8.528) 9.479 14.981 ( 9.781 -7.221 0.944) 12.195 14.981 ( 9.781 7.221 0.944) 12.195 15.326 ( -3.599 -8.268 -3.951) 9.845 15.326 ( -3.599 8.268 -3.951) 9.845 15.695 ( -5.264 -6.884 -4.379) 9.709 15.695 ( -5.264 6.884 -4.379) 9.709 18.438 ( 0.539 -2.088 1.235) 2.485 18.438 ( 0.539 2.088 1.235) 2.485 18.954 ( -0.318 -1.073 -0.635) 1.287 18.954 ( -0.318 1.073 -0.635) 1.287 ======================= Grid point 237 (125/160) ======================= q-point: ( 0.40 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -5.645 -4.107 -1.550) 7.151 2.004 ( -5.645 4.107 -1.550) 7.151 2.047 ( -0.110 -1.980 -11.743) 11.909 2.047 ( -0.110 1.980 -11.743) 11.909 2.332 ( 6.380 -3.878 3.623) 8.299 2.332 ( 6.380 3.878 3.623) 8.299 2.621 ( 5.974 -3.154 2.355) 7.154 2.621 ( 5.974 3.154 2.355) 7.154 2.804 ( 3.846 -8.309 1.169) 9.231 2.804 ( 3.846 8.309 1.169) 9.231 3.055 ( -10.386 -8.830 0.659) 13.648 3.055 ( -10.386 8.830 0.659) 13.648 3.340 ( -10.699 -5.611 -0.191) 12.082 3.340 ( -10.699 5.611 -0.191) 12.082 3.493 ( -3.368 -2.876 -1.329) 4.624 3.493 ( -3.368 2.876 -1.329) 4.624 4.104 ( -0.584 -5.874 4.028) 7.146 4.104 ( -0.584 5.874 4.028) 7.146 4.532 ( -3.378 -6.196 -0.254) 7.061 4.532 ( -3.378 6.196 -0.254) 7.061 4.795 ( 4.291 -8.997 -4.194) 10.814 4.795 ( 4.291 8.997 -4.194) 10.814 5.169 ( -1.986 -5.715 -2.181) 6.432 5.169 ( -1.986 5.715 -2.181) 6.432 5.487 ( 2.459 -4.353 -1.249) 5.153 5.487 ( 2.459 4.353 -1.249) 5.153 5.747 ( -1.491 -1.642 -0.280) 2.235 5.747 ( -1.491 1.642 -0.280) 2.235 6.926 ( 3.250 -2.996 -2.126) 4.904 6.926 ( 3.250 2.996 -2.126) 4.904 7.252 ( 3.983 -0.713 -2.195) 4.603 7.252 ( 3.983 0.713 -2.195) 4.603 7.640 ( 0.175 -4.171 -0.086) 4.175 7.640 ( 0.175 4.171 -0.086) 4.175 8.360 ( 0.699 -3.647 3.408) 5.040 8.360 ( 0.699 3.647 3.408) 5.040 9.006 ( -5.836 -7.004 1.371) 9.219 9.006 ( -5.836 7.004 1.371) 9.219 9.169 ( 1.282 -0.991 0.772) 1.795 9.169 ( 1.282 0.991 0.772) 1.795 9.793 ( 1.286 -7.828 -2.054) 8.195 9.793 ( 1.286 7.828 -2.054) 8.195 9.946 ( -3.669 -5.299 0.051) 6.446 9.946 ( -3.669 5.299 0.051) 6.446 11.689 ( 1.759 -4.061 2.448) 5.058 11.689 ( 1.759 4.061 2.448) 5.058 11.821 ( 4.639 -1.622 -0.188) 4.918 11.821 ( 4.639 1.622 -0.188) 4.918 14.726 ( -0.429 -3.054 10.859) 11.288 14.726 ( -0.429 3.054 10.859) 11.288 15.030 ( -2.532 -4.362 -1.041) 5.150 15.030 ( -2.532 4.362 -1.041) 5.150 15.322 ( 6.755 -8.106 -3.203) 11.027 15.322 ( 6.755 8.106 -3.203) 11.027 15.584 ( -1.192 -4.029 -5.341) 6.796 15.584 ( -1.192 4.029 -5.341) 6.796 18.434 ( -1.678 -1.625 0.459) 2.380 18.434 ( -1.678 1.625 0.459) 2.380 18.954 ( 0.673 -0.697 -0.174) 0.984 18.954 ( 0.673 0.697 -0.174) 0.984 ======================= Grid point 239 (126/160) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -1.769 -3.969 -6.812) 8.081 1.863 ( -1.769 3.969 -6.812) 8.081 1.963 ( 1.728 -1.671 -7.564) 7.937 1.963 ( 1.728 1.671 -7.564) 7.937 2.492 ( 4.577 -3.938 3.934) 7.206 2.492 ( 4.577 3.938 3.934) 7.206 2.710 ( 1.289 -3.362 -0.089) 3.602 2.710 ( 1.289 3.362 -0.089) 3.602 2.822 ( -5.140 -4.798 -0.542) 7.053 2.822 ( -5.140 4.798 -0.542) 7.053 2.959 ( 3.721 -4.572 3.162) 6.689 2.959 ( 3.721 4.572 3.162) 6.689 3.178 ( -3.976 -2.469 -1.685) 4.974 3.178 ( -3.976 2.469 -1.685) 4.974 3.499 ( 0.392 -0.432 1.294) 1.419 3.499 ( 0.392 0.432 1.294) 1.419 4.164 ( -0.654 -2.684 6.406) 6.976 4.164 ( -0.654 2.684 6.406) 6.976 4.538 ( 1.785 -5.172 3.359) 6.421 4.538 ( 1.785 5.172 3.359) 6.421 4.809 ( 2.405 -8.544 -4.700) 10.043 4.809 ( 2.405 8.544 -4.700) 10.043 5.043 ( -3.457 -6.005 -8.803) 11.203 5.043 ( -3.457 6.005 -8.803) 11.203 5.533 ( 2.119 -3.939 2.338) 5.047 5.533 ( 2.119 3.939 2.338) 5.047 5.700 ( -2.416 -1.119 -1.472) 3.042 5.700 ( -2.416 1.119 -1.472) 3.042 6.928 ( 0.457 -2.927 -1.923) 3.532 6.928 ( 0.457 2.927 -1.923) 3.532 7.284 ( 2.532 -1.332 -2.291) 3.665 7.284 ( 2.532 1.332 -2.291) 3.665 7.618 ( -1.840 -3.271 -0.351) 3.769 7.618 ( -1.840 3.271 -0.351) 3.769 8.411 ( -1.546 -4.158 4.052) 6.009 8.411 ( -1.546 4.158 4.052) 6.009 8.956 ( -0.145 -2.784 0.184) 2.794 8.956 ( -0.145 2.784 0.184) 2.794 9.211 ( 1.398 -0.787 1.649) 2.301 9.211 ( 1.398 0.787 1.649) 2.301 9.807 ( 1.661 -4.157 -0.559) 4.511 9.807 ( 1.661 4.157 -0.559) 4.511 9.879 ( -1.943 -4.879 -1.787) 5.547 9.879 ( -1.943 4.879 -1.787) 5.547 11.723 ( -1.778 -3.062 2.736) 4.474 11.723 ( -1.778 3.062 2.736) 4.474 11.872 ( 1.842 -2.377 -0.484) 3.046 11.872 ( 1.842 2.377 -0.484) 3.046 14.811 ( -4.513 -2.080 10.451) 11.572 14.811 ( -4.513 2.080 10.451) 11.572 15.002 ( 0.942 -2.969 0.572) 3.167 15.002 ( 0.942 2.969 0.572) 3.167 15.345 ( 2.261 -6.396 -7.139) 9.848 15.345 ( 2.261 6.396 -7.139) 9.848 15.541 ( 1.073 -3.983 -2.720) 4.941 15.541 ( 1.073 3.983 -2.720) 4.941 18.418 ( 0.304 -1.546 -0.271) 1.599 18.418 ( 0.304 1.546 -0.271) 1.599 18.961 ( -0.334 -0.143 0.324) 0.486 18.961 ( -0.334 0.143 0.324) 0.486 ======================= Grid point 241 (127/160) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 2.844 -3.042 -4.466) 6.106 1.810 ( 2.844 3.042 -4.466) 6.106 1.944 ( 3.232 -1.749 -1.712) 4.054 1.944 ( 3.232 1.749 -1.712) 4.054 2.492 ( -6.993 -1.715 2.299) 7.558 2.492 ( -6.993 1.715 2.299) 7.558 2.616 ( -2.487 -7.040 -4.794) 8.873 2.616 ( -2.487 7.040 -4.794) 8.873 2.910 ( 5.878 -2.878 1.612) 6.740 2.910 ( 5.878 2.878 1.612) 6.740 3.062 ( 6.779 -2.396 1.034) 7.264 3.062 ( 6.779 2.396 1.034) 7.264 3.226 ( 8.881 -8.959 1.368) 12.689 3.226 ( 8.881 8.959 1.368) 12.689 3.494 ( -1.184 -1.002 -1.048) 1.872 3.494 ( -1.184 1.002 -1.048) 1.872 4.227 ( -0.847 -9.021 6.412) 11.100 4.227 ( -0.847 9.021 6.412) 11.100 4.536 ( -5.229 -5.005 -3.568) 8.070 4.536 ( -5.229 5.005 -3.568) 8.070 4.808 ( 3.034 -8.880 -0.394) 9.392 4.808 ( 3.034 8.880 -0.394) 9.392 4.944 ( 2.259 -2.626 -4.042) 5.323 4.944 ( 2.259 2.626 -4.042) 5.323 5.581 ( -0.325 -1.001 -0.217) 1.074 5.581 ( -0.325 1.001 -0.217) 1.074 5.660 ( 0.059 -1.089 1.606) 1.941 5.660 ( 0.059 1.089 1.606) 1.941 6.910 ( -0.579 -0.377 -1.334) 1.502 6.910 ( -0.579 0.377 -1.334) 1.502 7.269 ( -0.781 -1.788 -2.804) 3.416 7.269 ( -0.781 1.788 -2.804) 3.416 7.589 ( -1.927 -3.033 1.399) 3.856 7.589 ( -1.927 3.033 1.399) 3.856 8.379 ( -6.169 -6.613 2.350) 9.344 8.379 ( -6.169 6.613 2.350) 9.344 9.013 ( 5.723 -6.329 0.352) 8.540 9.013 ( 5.723 6.329 0.352) 8.540 9.237 ( 0.592 -2.607 -0.161) 2.678 9.237 ( 0.592 2.607 -0.161) 2.678 9.796 ( -0.160 -7.306 -1.841) 7.536 9.796 ( -0.160 7.306 -1.841) 7.536 9.898 ( 3.849 -5.823 1.128) 7.071 9.898 ( 3.849 5.823 1.128) 7.071 11.682 ( -6.471 -3.914 2.058) 7.838 11.682 ( -6.471 3.914 2.058) 7.838 11.873 ( -0.614 -2.643 -1.188) 2.962 11.873 ( -0.614 2.643 -1.188) 2.962 14.854 ( -2.775 -1.993 9.154) 9.771 14.854 ( -2.775 1.993 9.154) 9.771 15.020 ( -3.353 -3.384 1.913) 5.134 15.020 ( -3.353 3.384 1.913) 5.134 15.282 ( 2.172 -4.760 -8.176) 9.707 15.282 ( 2.172 4.760 -8.176) 9.707 15.524 ( 0.946 -6.591 -2.122) 6.989 15.524 ( 0.946 6.591 -2.122) 6.989 18.446 ( 3.264 -2.406 -0.286) 4.065 18.446 ( 3.264 2.406 -0.286) 4.065 18.945 ( -1.933 -1.114 0.379) 2.262 18.945 ( -1.933 1.114 0.379) 2.262 ======================= Grid point 243 (128/160) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 3.362 -4.598 0.585) 5.726 1.840 ( 3.362 4.598 0.585) 5.726 2.025 ( 3.517 -6.113 4.354) 8.288 2.025 ( 3.517 6.113 4.354) 8.288 2.445 ( -1.834 -4.293 3.874) 6.067 2.445 ( -1.834 4.293 3.874) 6.067 2.519 ( -0.673 -4.016 -6.952) 8.056 2.519 ( -0.673 4.016 -6.952) 8.056 2.921 ( 1.401 -9.644 -8.858) 13.170 2.921 ( 1.401 9.644 -8.858) 13.170 3.231 ( 8.110 -4.703 3.778) 10.107 3.231 ( 8.110 4.703 3.778) 10.107 3.385 ( -2.478 -4.016 1.753) 5.034 3.385 ( -2.478 4.016 1.753) 5.034 3.513 ( 12.694 -11.467 -0.003) 17.106 3.513 ( 12.694 11.467 -0.003) 17.106 4.228 ( -2.243 -10.181 -0.945) 10.468 4.228 ( -2.243 10.181 -0.945) 10.468 4.453 ( -3.248 -1.155 4.651) 5.789 4.453 ( -3.248 1.155 4.651) 5.789 4.810 ( 4.100 -8.160 -6.471) 11.193 4.810 ( 4.100 8.160 -6.471) 11.193 5.024 ( 2.028 -1.947 6.415) 7.004 5.024 ( 2.028 1.947 6.415) 7.004 5.524 ( -2.450 -2.771 -2.771) 4.622 5.524 ( -2.450 2.771 -2.771) 4.622 5.738 ( 4.176 -1.659 2.896) 5.345 5.738 ( 4.176 1.659 2.896) 5.345 6.844 ( -5.974 -4.586 -2.319) 7.881 6.844 ( -5.974 4.586 -2.319) 7.881 7.215 ( -1.735 -1.602 -1.610) 2.858 7.215 ( -1.735 1.602 -1.610) 2.858 7.583 ( -1.637 -3.558 2.095) 4.442 7.583 ( -1.637 3.558 2.095) 4.442 8.291 ( -6.336 -7.248 2.189) 9.873 8.291 ( -6.336 7.248 2.189) 9.873 9.111 ( 3.649 -3.367 0.263) 4.972 9.111 ( 3.649 3.367 0.263) 4.972 9.253 ( 4.430 -2.736 -1.818) 5.515 9.253 ( 4.430 2.736 -1.818) 5.515 9.792 ( 2.540 -9.966 -2.488) 10.581 9.792 ( 2.540 9.966 -2.488) 10.581 9.994 ( 4.451 -5.991 2.400) 7.840 9.994 ( 4.451 5.991 2.400) 7.840 11.561 ( -10.279 -5.001 2.085) 11.619 11.561 ( -10.279 5.001 2.085) 11.619 11.824 ( -2.474 -1.890 -2.414) 3.939 11.824 ( -2.473 1.890 -2.414) 3.939 14.878 ( -7.071 -1.958 -1.729) 7.538 14.878 ( -7.071 1.958 -1.729) 7.538 14.969 ( -3.877 -3.911 11.342) 12.608 14.969 ( -3.877 3.911 11.342) 12.608 15.190 ( -1.678 -1.966 -9.053) 9.415 15.190 ( -1.678 1.966 -9.053) 9.415 15.592 ( 9.455 -6.476 -0.416) 11.468 15.592 ( 9.455 6.476 -0.416) 11.468 18.497 ( 2.472 -2.443 -0.787) 3.564 18.497 ( 2.472 2.443 -0.787) 3.564 18.916 ( -1.734 -2.158 0.687) 2.852 18.916 ( -1.734 2.158 0.687) 2.852 ======================= Grid point 245 (129/160) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 2.571 -5.951 4.503) 7.893 1.929 ( 2.571 5.951 4.503) 7.893 2.146 ( 2.464 -9.179 7.917) 12.369 2.146 ( 2.464 9.179 7.917) 12.369 2.404 ( -2.753 -7.379 -4.880) 9.265 2.404 ( -2.753 7.379 -4.880) 9.265 2.520 ( 5.663 -2.551 -3.457) 7.109 2.520 ( 5.663 2.551 -3.457) 7.109 2.813 ( 1.171 -7.750 -8.996) 11.931 2.813 ( 1.171 7.750 -8.996) 11.931 3.238 ( -4.611 -6.707 -6.763) 10.582 3.238 ( -4.611 6.707 -6.763) 10.582 3.450 ( 3.056 -4.808 13.326) 14.493 3.450 ( 3.056 4.808 13.326) 14.493 3.759 ( 12.539 -12.184 0.262) 17.485 3.759 ( 12.539 12.184 0.262) 17.485 4.248 ( 3.509 -4.692 2.902) 6.538 4.248 ( 3.509 4.692 2.902) 6.538 4.439 ( -5.323 -1.266 4.783) 7.267 4.439 ( -5.323 1.266 4.783) 7.267 4.876 ( 10.270 -3.129 -3.162) 11.191 4.876 ( 10.270 3.129 -3.162) 11.191 5.094 ( -2.646 -3.292 5.538) 6.965 5.094 ( -2.646 3.292 5.538) 6.965 5.456 ( -1.754 -5.228 -2.670) 6.127 5.456 ( -1.754 5.228 -2.670) 6.127 5.841 ( 6.046 -2.925 -0.497) 6.735 5.841 ( 6.046 2.925 -0.497) 6.735 6.647 ( -13.123 -5.550 -2.791) 14.519 6.647 ( -13.123 5.550 -2.791) 14.519 7.180 ( -0.896 -1.113 -1.018) 1.754 7.180 ( -0.896 1.113 -1.018) 1.754 7.565 ( -2.716 -4.863 0.286) 5.577 7.565 ( -2.716 4.863 0.286) 5.577 8.252 ( -2.934 -6.026 5.386) 8.598 8.252 ( -2.934 6.026 5.386) 8.598 9.132 ( 0.035 -2.434 0.296) 2.452 9.132 ( 0.035 2.434 0.296) 2.452 9.355 ( 9.032 -9.370 -2.435) 13.240 9.355 ( 9.032 9.370 -2.435) 13.240 9.809 ( 2.690 -9.816 -2.889) 10.580 9.809 ( 2.690 9.816 -2.889) 10.580 10.086 ( 3.990 -6.714 0.664) 7.839 10.086 ( 3.990 6.714 0.664) 7.839 11.407 ( -11.407 -3.742 4.025) 12.662 11.407 ( -11.407 3.742 4.025) 12.662 11.743 ( -2.598 -0.598 -3.594) 4.474 11.743 ( -2.598 0.598 -3.594) 4.474 14.687 ( -10.769 -1.486 -1.896) 11.035 14.687 ( -10.769 1.486 -1.896) 11.035 14.938 ( -6.159 -4.221 -6.710) 10.039 14.938 ( -6.159 4.221 -6.710) 10.039 15.170 ( 2.215 -5.771 7.646) 9.833 15.170 ( 2.215 5.771 7.646) 9.833 15.794 ( 13.382 -5.537 0.336) 14.486 15.794 ( 13.382 5.537 0.336) 14.486 18.482 ( -2.042 -1.215 -2.542) 3.480 18.482 ( -2.042 1.215 -2.542) 3.480 18.920 ( 0.656 -2.532 1.668) 3.102 18.920 ( 0.656 2.532 1.668) 3.102 ======================= Grid point 247 (130/160) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -4.543 -7.011 0.856) 8.398 1.957 ( -4.543 7.011 0.856) 8.398 2.276 ( -3.660 -13.649 -4.571) 14.852 2.276 ( -3.660 13.649 -4.571) 14.852 2.307 ( 4.717 -2.992 6.946) 8.914 2.307 ( 4.717 2.992 6.946) 8.914 2.531 ( 6.803 -5.007 -10.290) 13.313 2.531 ( 6.803 5.007 -10.290) 13.313 2.804 ( 1.200 -4.090 -1.110) 4.404 2.804 ( 1.200 4.090 -1.110) 4.404 3.126 ( -0.795 -4.896 -0.861) 5.035 3.126 ( -0.795 4.896 -0.861) 5.035 3.670 ( 2.540 -3.344 16.014) 16.556 3.670 ( 2.540 3.344 16.014) 16.556 3.943 ( 8.982 -6.434 2.105) 11.248 3.943 ( 8.982 6.434 2.105) 11.248 4.344 ( -2.759 -10.294 8.239) 13.471 4.344 ( -2.759 10.294 8.239) 13.471 4.441 ( 4.902 -5.706 -0.271) 7.527 4.441 ( 4.902 5.706 -0.271) 7.527 4.976 ( -4.982 -2.913 2.318) 6.219 4.976 ( -4.982 2.913 2.318) 6.219 5.094 ( 4.949 -9.001 -2.117) 10.487 5.094 ( 4.949 9.001 -2.117) 10.487 5.379 ( -3.260 -8.413 -5.406) 10.518 5.379 ( -3.260 8.413 -5.406) 10.518 5.953 ( 11.440 -5.913 -2.891) 13.199 5.953 ( 11.440 5.913 -2.891) 13.199 6.375 ( -15.780 -1.333 -0.590) 15.847 6.375 ( -15.780 1.333 -0.590) 15.847 7.161 ( 0.170 -1.671 -0.950) 1.929 7.161 ( 0.170 1.671 -0.950) 1.929 7.495 ( -3.449 -5.869 -2.570) 7.276 7.495 ( -3.449 5.869 -2.570) 7.276 8.316 ( -0.588 -6.071 9.648) 11.414 8.316 ( -0.588 6.071 9.648) 11.414 9.145 ( 0.556 -3.331 1.168) 3.574 9.145 ( 0.556 3.331 1.168) 3.574 9.462 ( 7.801 -10.245 -4.526) 13.649 9.462 ( 7.801 10.245 -4.526) 13.649 9.794 ( -0.754 -4.657 -3.064) 5.625 9.794 ( -0.754 4.657 -3.064) 5.625 10.137 ( 2.772 -5.155 -1.748) 6.109 10.137 ( 2.772 5.155 -1.748) 6.109 11.304 ( -8.022 -1.397 7.316) 10.947 11.304 ( -8.022 1.397 7.316) 10.947 11.665 ( -0.757 -0.478 -4.548) 4.635 11.665 ( -0.757 0.478 -4.548) 4.635 14.503 ( -7.441 -1.373 -2.415) 7.943 14.503 ( -7.441 1.373 -2.415) 7.943 14.747 ( -4.641 -3.402 -8.024) 9.874 14.747 ( -4.641 3.402 -8.024) 9.874 15.306 ( 1.721 -5.153 8.163) 9.806 15.306 ( 1.721 5.153 8.163) 9.806 16.013 ( 10.443 -4.154 1.145) 11.297 16.013 ( 10.443 4.154 1.145) 11.297 18.391 ( -3.419 -1.249 -3.808) 5.268 18.391 ( -3.419 1.249 -3.808) 5.268 18.961 ( 1.078 -1.912 2.033) 2.992 18.961 ( 1.078 1.912 2.033) 2.992 ======================= Grid point 279 (131/160) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -0.886 0.000 -14.372) 14.399 1.519 ( 0.886 0.000 14.372) 14.399 1.642 ( -3.283 0.000 -17.631) 17.934 1.642 ( 3.283 0.000 17.631) 17.934 2.427 ( -1.843 0.000 -2.848) 3.392 2.427 ( 1.843 0.000 2.848) 3.392 2.901 ( -7.029 0.000 -21.292) 22.422 2.901 ( 7.029 0.000 21.292) 22.422 3.039 ( 9.448 0.000 -16.423) 18.947 3.039 ( -9.448 0.000 16.423) 18.947 3.453 ( -0.914 0.000 -9.523) 9.566 3.453 ( 0.914 0.000 9.523) 9.566 3.692 ( 3.541 0.000 -1.373) 3.798 3.692 ( -3.541 0.000 1.373) 3.798 3.834 ( 2.158 0.000 -3.385) 4.014 3.834 ( -2.158 0.000 3.385) 4.014 4.238 ( -14.310 0.000 -7.785) 16.290 4.238 ( 14.310 0.000 7.785) 16.290 4.427 ( -16.057 0.000 3.398) 16.413 4.427 ( 16.057 0.000 -3.398) 16.413 4.691 ( 4.006 0.000 -16.117) 16.607 4.691 ( -4.006 0.000 16.117) 16.607 5.325 ( -12.864 0.000 -9.941) 16.257 5.325 ( 12.864 0.000 9.941) 16.257 5.701 ( -5.347 0.000 -4.662) 7.094 5.701 ( 5.347 0.000 4.662) 7.094 5.806 ( 2.208 0.000 -4.392) 4.916 5.806 ( -2.208 0.000 4.392) 4.916 6.507 ( -8.185 0.000 0.415) 8.195 6.507 ( 8.185 0.000 -0.415) 8.195 6.682 ( 3.875 0.000 -7.355) 8.313 6.682 ( -3.875 0.000 7.355) 8.313 7.600 ( 0.709 0.000 -0.326) 0.780 7.600 ( -0.709 0.000 0.326) 0.780 8.144 ( -3.439 0.000 -9.456) 10.062 8.144 ( 3.439 0.000 9.456) 10.062 8.810 ( 1.180 0.000 -13.421) 13.473 8.810 ( -1.180 0.000 13.421) 13.473 9.385 ( 1.763 0.000 -3.354) 3.789 9.385 ( -1.763 0.000 3.354) 3.789 10.213 ( -4.829 0.000 0.107) 4.831 10.213 ( 4.829 0.000 -0.107) 4.831 10.391 ( 6.327 0.000 -2.935) 6.975 10.391 ( -6.327 0.000 2.935) 6.975 11.173 ( 2.229 0.000 -13.287) 13.473 11.173 ( -2.229 0.000 13.287) 13.473 11.433 ( -0.375 0.000 -10.029) 10.036 11.433 ( 0.375 0.000 10.029) 10.036 14.590 ( -13.101 0.000 2.060) 13.262 14.590 ( 13.101 0.000 -2.060) 13.262 15.146 ( -12.616 0.000 -0.865) 12.646 15.146 ( 12.616 0.000 0.865) 12.646 15.506 ( -12.997 0.000 -0.210) 12.999 15.506 ( 12.997 0.000 0.210) 12.999 15.671 ( -12.784 0.000 -2.340) 12.997 15.671 ( 12.784 0.000 2.340) 12.997 18.111 ( -1.211 0.000 -3.080) 3.309 18.111 ( 1.211 0.000 3.080) 3.309 19.069 ( 0.747 0.000 -0.480) 0.887 19.069 ( -0.747 0.000 0.480) 0.887 ======================= Grid point 281 (132/160) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 5.094 0.000 -23.063) 23.618 1.370 ( 7.698 0.000 -17.814) 19.406 1.824 ( 5.629 0.000 17.777) 18.647 1.965 ( 6.521 0.000 17.752) 18.912 2.393 ( 1.002 0.000 -0.812) 1.290 2.471 ( 10.961 0.000 -23.335) 25.781 2.548 ( -9.362 0.000 1.039) 9.420 2.993 ( 4.587 0.000 -12.410) 13.231 2.999 ( -7.578 0.000 5.108) 9.139 3.174 ( -1.743 0.000 9.821) 9.974 3.297 ( -3.674 0.000 -10.082) 10.731 3.401 ( -17.712 0.000 -7.681) 19.305 3.625 ( -4.901 0.000 9.579) 10.760 3.655 ( -2.089 0.000 -3.015) 3.668 3.802 ( -3.522 0.000 0.226) 3.529 3.995 ( 13.682 0.000 7.662) 15.682 3.996 ( -17.618 0.000 -10.984) 20.761 4.098 ( 0.796 0.000 2.977) 3.082 4.347 ( -3.336 0.000 -17.120) 17.442 4.640 ( 5.776 0.000 14.224) 15.352 4.644 ( -2.354 0.000 -4.714) 5.269 4.788 ( -2.824 0.000 13.483) 13.775 5.122 ( -1.462 0.000 -3.266) 3.578 5.606 ( 5.326 0.000 4.612) 7.045 5.616 ( 3.007 0.000 -5.242) 6.043 5.825 ( 2.134 0.000 -0.296) 2.154 5.831 ( 1.714 0.000 4.644) 4.950 5.954 ( 7.883 0.000 12.464) 14.747 6.325 ( -11.354 0.000 -1.046) 11.402 6.578 ( 0.749 0.000 -0.418) 0.858 6.636 ( 4.283 0.000 -11.163) 11.956 6.675 ( -4.025 0.000 4.989) 6.410 7.587 ( -2.212 0.000 1.563) 2.708 7.605 ( 0.071 0.000 0.073) 0.102 7.978 ( -2.651 0.000 -9.068) 9.448 8.294 ( 2.398 0.000 7.299) 7.683 8.716 ( 5.382 0.000 -11.451) 12.653 8.959 ( 0.662 0.000 10.728) 10.748 9.402 ( -0.802 0.000 2.931) 3.039 9.406 ( 5.069 0.000 -1.726) 5.355 10.066 ( -8.106 0.000 -3.136) 8.691 10.072 ( -12.522 0.000 -7.434) 14.563 10.393 ( -3.506 0.000 7.883) 8.627 10.404 ( -3.445 0.000 0.084) 3.446 11.113 ( 7.088 0.000 -11.905) 13.855 11.355 ( 4.951 0.000 11.883) 12.873 11.451 ( 14.648 0.000 -5.484) 15.641 11.611 ( 6.837 0.000 7.336) 10.028 14.406 ( -12.618 0.000 5.526) 13.775 14.739 ( 2.418 0.000 0.121) 2.421 14.904 ( -11.798 0.000 1.914) 11.952 15.037 ( -20.554 0.000 -2.116) 20.663 15.421 ( -10.857 0.000 -1.446) 10.953 15.537 ( 12.538 0.000 1.027) 12.580 15.738 ( 11.354 0.000 -1.758) 11.489 15.877 ( 6.890 0.000 -0.055) 6.890 18.091 ( 3.389 0.000 -1.555) 3.728 18.182 ( 3.470 0.000 2.029) 4.020 19.035 ( -2.887 0.000 -0.830) 3.004 19.051 ( -1.249 0.000 -1.631) 2.054 ======================= Grid point 282 (133/160) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 14.443 0.000 -16.017) 21.567 1.346 ( 13.761 0.000 -17.092) 21.943 2.094 ( 5.007 0.000 11.882) 12.894 2.152 ( -3.039 0.000 4.772) 5.658 2.424 ( 18.015 0.000 -14.296) 22.998 2.433 ( 1.150 0.000 1.573) 1.949 2.606 ( 2.456 0.000 9.275) 9.595 2.769 ( -19.865 0.000 -5.323) 20.565 2.905 ( 0.654 0.000 -9.721) 9.743 3.015 ( -9.387 0.000 -2.696) 9.766 3.090 ( -7.771 0.000 -9.133) 11.992 3.174 ( -6.483 0.000 -4.227) 7.739 3.390 ( -8.574 0.000 -12.736) 15.353 3.712 ( -0.746 0.000 11.396) 11.421 3.772 ( -4.122 0.000 7.549) 8.601 3.803 ( 2.700 0.000 -9.292) 9.677 4.026 ( -0.306 0.000 -15.580) 15.583 4.201 ( 4.638 0.000 5.245) 7.001 4.441 ( 10.963 0.000 12.735) 16.804 4.509 ( -2.732 0.000 -4.599) 5.350 4.640 ( -10.733 0.000 5.038) 11.856 5.026 ( 5.168 0.000 12.893) 13.891 5.067 ( -5.449 0.000 1.421) 5.631 5.621 ( -5.582 0.000 -2.174) 5.990 5.682 ( 9.272 0.000 -3.132) 9.786 5.826 ( -10.781 0.000 -1.264) 10.855 5.827 ( -4.624 0.000 2.122) 5.088 5.955 ( -5.694 0.000 -0.941) 5.771 6.341 ( -1.225 0.000 14.046) 14.099 6.525 ( -3.481 0.000 -2.684) 4.396 6.602 ( 8.233 0.000 -12.628) 15.075 6.778 ( 10.532 0.000 4.823) 11.584 7.567 ( -3.730 0.000 4.385) 5.757 7.606 ( 0.065 0.000 0.176) 0.188 7.864 ( 0.346 0.000 -6.661) 6.670 8.392 ( 1.472 0.000 3.991) 4.254 8.733 ( 10.123 0.000 -7.783) 12.769 9.046 ( 0.113 0.000 2.794) 2.796 9.423 ( -0.118 0.000 1.818) 1.822 9.479 ( 4.949 0.000 -4.984) 7.023 9.789 ( -11.367 0.000 -1.508) 11.467 9.886 ( -9.303 0.000 -2.436) 9.617 10.309 ( -6.540 0.000 -0.568) 6.564 10.384 ( -5.966 0.000 4.777) 7.643 11.143 ( 10.899 0.000 -7.965) 13.499 11.570 ( 5.684 0.000 8.650) 10.350 11.714 ( 14.064 0.000 2.957) 14.371 11.791 ( 5.640 0.000 4.357) 7.127 14.342 ( -6.796 0.000 12.497) 14.226 14.625 ( -13.308 0.000 4.387) 14.013 14.653 ( -19.294 0.000 -2.287) 19.430 14.821 ( -6.687 0.000 2.308) 7.075 15.309 ( 0.166 0.000 -2.146) 2.153 15.726 ( 7.245 0.000 -3.372) 7.992 15.832 ( -1.673 0.000 -10.269) 10.405 15.851 ( 5.989 0.000 -3.212) 6.796 18.216 ( 7.751 0.000 5.397) 9.445 18.274 ( 4.949 0.000 1.656) 5.219 18.958 ( -4.404 0.000 -1.478) 4.646 18.994 ( -2.802 0.000 -2.112) 3.509 ======================= Grid point 283 (134/160) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 19.582 0.000 -13.123) 23.572 1.458 ( 19.112 0.000 -5.715) 19.948 2.069 ( -8.605 0.000 4.607) 9.761 2.236 ( -5.453 0.000 -2.750) 6.107 2.284 ( -9.992 0.000 7.496) 12.492 2.602 ( -1.335 0.000 4.895) 5.074 2.621 ( 3.971 0.000 0.805) 4.052 2.689 ( 13.014 0.000 -14.526) 19.502 2.839 ( -9.281 0.000 -1.065) 9.341 2.844 ( -11.662 0.000 -2.850) 12.005 2.938 ( -7.761 0.000 -13.224) 15.334 2.940 ( 6.153 0.000 8.444) 10.448 3.303 ( 12.214 0.000 -8.148) 14.683 3.738 ( 3.445 0.000 -10.220) 10.785 3.822 ( 0.434 0.000 6.685) 6.699 3.845 ( -2.132 0.000 10.128) 10.350 3.931 ( 8.017 0.000 -7.649) 11.080 4.339 ( 3.602 0.000 4.214) 5.544 4.420 ( -1.962 0.000 -1.753) 2.631 4.500 ( -9.942 0.000 1.996) 10.141 4.690 ( 1.966 0.000 4.353) 4.777 5.053 ( 2.875 0.000 4.929) 5.706 5.192 ( -2.885 0.000 11.125) 11.493 5.323 ( -13.148 0.000 -12.162) 17.911 5.627 ( -5.795 0.000 -6.925) 9.030 5.648 ( -16.734 0.000 1.191) 16.777 5.836 ( 6.366 0.000 1.724) 6.596 5.914 ( -3.709 0.000 2.784) 4.638 6.448 ( 0.413 0.000 -3.839) 3.861 6.457 ( -3.487 0.000 14.282) 14.702 6.617 ( 9.761 0.000 -11.175) 14.838 6.980 ( 5.322 0.000 0.594) 5.355 7.590 ( -2.357 0.000 9.012) 9.315 7.623 ( 1.787 0.000 0.415) 1.834 7.835 ( 3.394 0.000 -3.959) 5.215 8.421 ( -1.111 0.000 -1.421) 1.804 8.876 ( 14.582 0.000 -3.686) 15.040 9.038 ( 1.463 0.000 -4.241) 4.486 9.433 ( 0.102 0.000 -5.002) 5.003 9.435 ( -0.122 0.000 0.231) 0.261 9.681 ( -4.916 0.000 1.477) 5.133 9.700 ( -10.984 0.000 -0.073) 10.984 10.195 ( -4.607 0.000 -1.998) 5.021 10.318 ( -7.293 0.000 3.120) 7.933 11.294 ( 13.569 0.000 -2.274) 13.758 11.737 ( 4.181 0.000 5.585) 6.977 11.884 ( 0.797 0.000 1.941) 2.098 11.903 ( 4.821 0.000 1.743) 5.127 14.308 ( -12.202 0.000 1.113) 12.253 14.442 ( -12.948 0.000 1.929) 13.091 14.532 ( -2.856 0.000 19.986) 20.189 14.748 ( -7.952 0.000 9.272) 12.215 15.303 ( 3.674 0.000 -7.950) 8.758 15.480 ( -4.887 0.000 -23.408) 23.912 15.886 ( 5.849 0.000 -0.657) 5.886 15.890 ( 3.216 0.000 -2.078) 3.829 18.382 ( 5.344 0.000 1.725) 5.616 18.409 ( 5.818 0.000 5.822) 8.231 18.865 ( -4.574 0.000 -1.013) 4.685 18.913 ( -3.843 0.000 -1.918) 4.295 ======================= Grid point 284 (135/160) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 19.431 0.000 -7.868) 20.963 1.752 ( 17.585 0.000 0.582) 17.595 2.042 ( -10.834 0.000 6.751) 12.765 2.057 ( -3.307 0.000 10.413) 10.925 2.296 ( 0.216 0.000 -4.555) 4.560 2.426 ( -11.456 0.000 -5.943) 12.906 2.615 ( -3.120 0.000 -6.977) 7.642 2.637 ( -12.786 0.000 4.789) 13.653 2.685 ( -3.096 0.000 -7.665) 8.267 2.764 ( -0.246 0.000 -1.936) 1.952 2.818 ( 4.347 0.000 5.518) 7.025 3.068 ( -1.911 0.000 1.767) 2.603 3.573 ( 24.181 0.000 -2.023) 24.265 3.739 ( 9.070 0.000 -6.742) 11.302 3.851 ( -1.352 0.000 0.510) 1.445 3.979 ( 11.200 0.000 5.320) 12.399 4.068 ( 6.428 0.000 2.087) 6.759 4.299 ( -10.504 0.000 -2.403) 10.775 4.364 ( -8.035 0.000 0.522) 8.052 4.377 ( -2.057 0.000 0.138) 2.062 4.797 ( 6.822 0.000 6.780) 9.618 4.986 ( -8.656 0.000 -6.828) 11.025 5.190 ( 1.205 0.000 3.504) 3.705 5.268 ( -3.524 0.000 6.045) 6.997 5.314 ( -16.798 0.000 -1.680) 16.881 5.418 ( -6.473 0.000 -10.185) 12.068 5.889 ( -2.753 0.000 2.699) 3.855 5.914 ( 0.491 0.000 0.182) 0.523 6.510 ( 7.677 0.000 3.651) 8.501 6.560 ( -3.722 0.000 13.215) 13.729 6.647 ( 8.665 0.000 -11.226) 14.181 6.947 ( -5.025 0.000 -4.869) 6.997 7.669 ( -2.455 0.000 9.389) 9.704 7.670 ( 3.995 0.000 -1.402) 4.234 7.891 ( 6.038 0.000 0.471) 6.056 8.288 ( -7.287 0.000 -8.090) 10.888 9.076 ( 7.645 0.000 -1.340) 7.762 9.111 ( 15.915 0.000 -1.994) 16.040 9.412 ( -3.095 0.000 -0.091) 3.096 9.413 ( 0.901 0.000 -0.540) 1.051 9.528 ( -10.532 0.000 2.969) 10.943 9.588 ( -5.652 0.000 -2.810) 6.312 10.125 ( 0.001 0.000 -2.916) 2.916 10.217 ( -7.800 0.000 2.240) 8.115 11.517 ( 12.824 0.000 1.145) 12.875 11.839 ( 1.590 0.000 0.861) 1.808 11.867 ( -3.824 0.000 2.619) 4.635 11.943 ( 0.637 0.000 -1.332) 1.477 14.160 ( -5.477 0.000 0.761) 5.529 14.256 ( -8.989 0.000 -0.759) 9.021 14.772 ( -2.067 0.000 24.920) 25.005 14.785 ( -5.826 0.000 16.282) 17.293 15.154 ( -0.386 0.000 -23.504) 23.507 15.212 ( 2.703 0.000 -16.795) 17.011 15.925 ( 1.903 0.000 0.590) 1.992 15.948 ( 2.757 0.000 -1.098) 2.968 18.486 ( 4.309 0.000 1.662) 4.618 18.527 ( 3.046 0.000 1.636) 3.458 18.792 ( -3.060 0.000 0.035) 3.060 18.827 ( -3.743 0.000 -1.292) 3.959 ======================= Grid point 285 (136/160) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 10.462 0.000 -4.300) 11.311 1.869 ( -10.462 0.000 4.300) 11.311 2.125 ( -10.276 0.000 -3.789) 10.953 2.125 ( 10.276 0.000 3.789) 10.953 2.188 ( 0.311 0.000 -7.522) 7.528 2.188 ( -0.311 0.000 7.522) 7.528 2.533 ( 7.133 0.000 -7.845) 10.603 2.533 ( -7.133 0.000 7.845) 10.603 2.683 ( -3.994 0.000 -1.438) 4.245 2.683 ( 3.994 0.000 1.438) 4.245 2.972 ( -5.401 0.000 -4.570) 7.075 2.972 ( 5.401 0.000 4.570) 7.075 3.815 ( -4.267 0.000 0.779) 4.338 3.815 ( 4.267 0.000 -0.779) 4.338 3.957 ( -17.089 0.000 -4.635) 17.706 3.957 ( 17.089 0.000 4.635) 17.706 4.236 ( -1.942 0.000 -1.982) 2.775 4.236 ( 1.942 0.000 1.982) 2.775 4.270 ( -10.202 0.000 -0.612) 10.220 4.270 ( 10.202 0.000 0.612) 10.220 4.905 ( 5.189 0.000 -2.598) 5.803 4.905 ( -5.189 0.000 2.598) 5.803 5.131 ( -5.946 0.000 -7.940) 9.920 5.131 ( 5.946 0.000 7.940) 9.920 5.304 ( 3.948 0.000 -2.145) 4.494 5.304 ( -3.948 0.000 2.145) 4.494 5.893 ( 0.159 0.000 -2.354) 2.360 5.893 ( -0.159 0.000 2.354) 2.360 6.628 ( 4.523 0.000 -9.829) 10.820 6.628 ( -4.523 0.000 9.829) 10.820 6.743 ( -10.639 0.000 -5.389) 11.926 6.743 ( 10.639 0.000 5.389) 11.926 7.702 ( 4.269 0.000 -5.807) 7.208 7.702 ( -4.269 0.000 5.807) 7.208 8.055 ( -8.314 0.000 -6.591) 10.610 8.055 ( 8.314 0.000 6.591) 10.610 9.215 ( -3.472 0.000 -4.521) 5.700 9.215 ( 3.472 0.000 4.521) 5.700 9.425 ( -2.805 0.000 -7.879) 8.364 9.425 ( 2.805 0.000 7.879) 8.364 9.442 ( -1.105 0.000 -0.222) 1.128 9.442 ( 1.105 0.000 0.222) 1.128 10.134 ( 4.932 0.000 -2.698) 5.622 10.134 ( -4.932 0.000 2.698) 5.622 11.725 ( -9.240 0.000 -1.834) 9.421 11.725 ( 9.240 0.000 1.834) 9.421 11.914 ( -0.823 0.000 -2.928) 3.042 11.914 ( 0.823 0.000 2.928) 3.042 14.146 ( -2.232 0.000 -1.297) 2.581 14.146 ( 2.232 0.000 1.297) 2.581 14.921 ( 3.995 0.000 -20.545) 20.930 14.921 ( -3.995 0.000 20.545) 20.930 15.020 ( 2.890 0.000 -22.816) 22.999 15.020 ( -2.890 0.000 22.816) 22.999 15.956 ( 0.070 0.000 -1.434) 1.436 15.956 ( -0.070 0.000 1.434) 1.436 18.550 ( -0.809 0.000 -1.029) 1.309 18.550 ( 0.809 0.000 1.029) 1.309 18.774 ( -0.689 0.000 -0.676) 0.965 18.774 ( 0.689 0.000 0.676) 0.965 ======================= Grid point 291 (137/160) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.019 5.552 -16.595) 17.499 1.585 ( -0.019 5.552 16.595) 17.499 1.764 ( -0.304 10.059 -20.375) 22.725 1.764 ( 0.304 10.059 20.375) 22.725 2.443 ( 0.372 0.694 -5.422) 5.479 2.443 ( -0.372 0.694 5.422) 5.479 2.894 ( -6.376 -3.977 -7.894) 10.899 2.894 ( 6.376 -3.977 7.894) 10.899 3.063 ( 5.961 7.367 -26.647) 28.282 3.063 ( -5.961 7.367 26.647) 28.282 3.335 ( -3.112 -11.093 -10.438) 15.547 3.335 ( 3.112 -11.093 10.438) 15.547 3.665 ( -3.952 -5.401 -6.863) 9.586 3.665 ( 3.952 -5.401 6.863) 9.586 3.821 ( -1.083 4.716 -3.991) 6.272 3.821 ( 1.083 4.716 3.991) 6.272 4.310 ( -5.264 -1.224 -14.736) 15.696 4.310 ( 5.264 -1.224 14.736) 15.696 4.382 ( -6.583 1.449 -3.949) 7.812 4.382 ( 6.583 1.449 3.949) 7.812 4.677 ( 5.426 -0.568 -13.734) 14.778 4.677 ( -5.426 -0.568 13.734) 14.778 5.334 ( -7.907 -0.405 -8.062) 11.300 5.334 ( 7.907 -0.405 8.062) 11.300 5.672 ( -4.829 0.311 -0.074) 4.839 5.672 ( 4.829 0.311 0.074) 4.839 5.798 ( -2.819 -2.428 -7.132) 8.044 5.798 ( 2.819 -2.428 7.132) 8.044 6.502 ( -8.531 -1.974 0.651) 8.780 6.502 ( 8.531 -1.974 -0.651) 8.780 6.794 ( 1.978 10.154 -3.797) 11.020 6.794 ( -1.978 10.154 3.797) 11.020 7.588 ( -0.048 -2.105 -3.147) 3.786 7.588 ( 0.048 -2.105 3.147) 3.786 8.156 ( -2.978 2.545 -4.330) 5.839 8.156 ( 2.978 2.545 4.330) 5.839 8.854 ( 1.392 3.890 -12.408) 13.078 8.854 ( -1.392 3.890 12.408) 13.078 9.387 ( -0.562 0.345 -2.949) 3.022 9.387 ( 0.562 0.345 2.949) 3.022 10.149 ( -1.758 -5.902 -0.678) 6.195 10.149 ( 1.758 -5.902 0.678) 6.195 10.360 ( 2.230 -3.023 -2.895) 4.743 10.360 ( -2.230 -3.023 2.895) 4.743 11.229 ( 1.646 4.955 -11.688) 12.801 11.229 ( -1.646 4.955 11.688) 12.801 11.439 ( -0.490 0.626 -9.601) 9.634 11.439 ( 0.490 0.626 9.601) 9.634 14.511 ( -10.908 -5.512 -0.268) 12.224 14.511 ( 10.908 -5.512 0.268) 12.224 15.156 ( -10.269 -7.447 -0.256) 12.688 15.156 ( 10.269 -7.447 0.256) 12.688 15.343 ( -13.273 -1.601 -1.676) 13.473 15.343 ( 13.273 -1.601 1.676) 13.473 15.856 ( -13.431 10.087 -1.643) 16.877 15.856 ( 13.431 10.087 1.643) 16.877 18.129 ( -1.574 1.768 -2.476) 3.426 18.129 ( 1.574 1.768 2.476) 3.426 19.064 ( -0.434 -0.470 -0.048) 0.641 19.064 ( 0.434 -0.470 0.048) 0.641 ======================= Grid point 293 (138/160) ======================= q-point: ( 0.10 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 7.771 10.115 -13.711) 18.727 1.549 ( 4.138 14.785 -20.186) 25.362 1.854 ( 6.933 3.028 16.531) 18.180 2.003 ( 2.191 3.040 15.534) 15.980 2.411 ( 0.925 0.902 -1.511) 1.988 2.505 ( -1.082 -0.693 6.198) 6.329 2.564 ( -5.260 3.686 -17.610) 18.745 2.905 ( -4.125 -5.421 -2.415) 7.227 2.990 ( 5.063 0.761 -9.232) 10.557 3.131 ( -6.305 -10.877 -12.316) 17.599 3.287 ( 1.901 7.491 8.895) 11.784 3.438 ( -4.914 -3.726 1.154) 6.274 3.527 ( -5.695 -5.871 -6.633) 10.531 3.597 ( -10.840 -1.798 1.333) 11.069 3.749 ( -4.111 -12.299 -4.539) 13.740 3.866 ( -5.672 6.590 7.429) 11.437 4.091 ( -1.173 -2.485 -3.601) 4.530 4.217 ( 5.266 10.667 -1.114) 11.948 4.337 ( -2.304 -0.225 -9.860) 10.128 4.666 ( -3.671 2.814 -0.616) 4.666 4.693 ( 9.110 1.842 8.215) 12.404 4.732 ( -2.800 -3.244 11.921) 12.668 5.149 ( -2.518 2.821 -2.685) 4.638 5.451 ( 2.565 -9.656 -1.819) 10.155 5.671 ( 0.068 0.245 2.076) 2.092 5.718 ( 0.026 -6.259 1.335) 6.400 5.785 ( 3.316 -1.582 1.837) 4.108 6.048 ( 10.082 3.655 8.810) 13.878 6.300 ( -10.209 -2.903 -0.422) 10.622 6.600 ( 8.041 -0.644 -9.153) 12.200 6.748 ( -4.438 10.907 1.176) 11.833 6.805 ( 0.854 12.058 0.845) 12.118 7.526 ( -2.527 -3.525 -3.307) 5.454 7.597 ( -1.305 -3.383 0.713) 3.695 8.092 ( -2.287 10.289 0.764) 10.567 8.272 ( 3.077 -1.258 5.530) 6.452 8.753 ( 3.826 3.236 -11.627) 12.661 8.973 ( -0.316 1.358 9.094) 9.200 9.364 ( 1.082 -1.366 -0.687) 1.872 9.463 ( 3.757 3.257 3.022) 5.819 10.002 ( -9.568 -5.249 -4.130) 11.669 10.040 ( -9.976 -3.733 -5.248) 11.875 10.337 ( -3.083 -4.404 3.899) 6.641 10.392 ( -2.851 -2.078 3.219) 4.775 11.163 ( 6.364 4.629 -11.608) 14.024 11.375 ( 7.677 1.391 4.746) 9.132 11.447 ( 9.063 0.569 -1.153) 9.153 11.613 ( 6.190 0.009 7.781) 9.943 14.356 ( -9.128 -2.722 4.770) 10.653 14.661 ( 1.344 -5.728 3.337) 6.764 14.984 ( -8.141 0.690 1.860) 8.379 15.034 ( -12.629 1.045 -4.318) 13.388 15.357 ( 3.008 -5.035 0.118) 5.866 15.538 ( 1.586 -5.609 -0.244) 5.834 15.652 ( 1.355 4.110 0.229) 4.333 16.010 ( 3.062 6.434 -2.405) 7.520 18.100 ( 1.105 2.105 0.612) 2.455 18.223 ( 6.196 2.744 1.048) 6.857 19.030 ( -2.588 -0.516 -1.126) 2.869 19.052 ( -1.121 -0.068 -1.182) 1.631 ======================= Grid point 294 (139/160) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 9.353 11.912 -18.309) 23.761 1.522 ( 12.066 13.300 -12.651) 21.967 2.126 ( 2.691 2.739 12.128) 12.721 2.166 ( 1.074 1.488 7.813) 8.026 2.417 ( 0.949 -1.731 -0.856) 2.152 2.474 ( 11.544 1.920 -9.858) 15.301 2.575 ( -4.365 -2.428 15.503) 16.288 2.725 ( -15.845 -7.519 -10.629) 20.508 2.786 ( -7.883 -2.248 -1.054) 8.265 3.017 ( 10.302 2.913 -15.317) 18.688 3.186 ( -13.745 4.652 -3.861) 15.015 3.278 ( -6.928 -7.452 -10.762) 14.811 3.318 ( -1.674 10.532 -7.279) 12.912 3.604 ( -1.498 -8.179 9.762) 12.824 3.643 ( 0.818 -9.624 -7.850) 12.447 3.792 ( -6.901 -1.018 6.729) 9.692 4.093 ( 2.408 -1.407 -9.347) 9.754 4.179 ( 3.677 1.247 -1.725) 4.249 4.525 ( 4.570 6.944 7.820) 11.413 4.551 ( 0.243 5.410 0.643) 5.453 4.674 ( -9.298 2.966 5.613) 11.258 4.896 ( -2.628 -7.335 8.889) 11.821 5.177 ( 2.755 5.380 3.846) 7.164 5.465 ( -0.010 -13.029 -3.585) 13.513 5.621 ( -0.421 -5.112 -5.149) 7.268 5.770 ( -2.677 -2.391 4.207) 5.530 5.799 ( -3.525 -3.304 1.826) 5.165 5.968 ( -10.240 -0.147 -2.793) 10.615 6.416 ( 3.143 5.124 6.975) 9.208 6.608 ( 10.454 1.782 -11.375) 15.551 6.696 ( -3.549 12.491 3.289) 13.396 6.899 ( 8.657 11.308 2.052) 14.388 7.440 ( -3.703 -6.793 -1.274) 7.841 7.589 ( 0.596 -2.515 -0.113) 2.587 8.074 ( -3.147 14.848 3.182) 15.508 8.362 ( 1.343 -2.603 2.733) 4.006 8.737 ( 8.586 0.489 -7.915) 11.688 9.040 ( 0.367 -0.301 2.310) 2.358 9.389 ( 2.285 -1.189 -1.208) 2.845 9.562 ( 3.636 5.254 0.769) 6.436 9.734 ( -12.183 -4.345 -3.396) 13.373 9.850 ( -9.646 -3.643 -1.560) 10.428 10.274 ( -5.554 -3.360 -0.273) 6.497 10.366 ( -5.858 -1.854 4.313) 7.507 11.182 ( 10.042 3.679 -8.198) 13.475 11.591 ( 6.422 1.366 8.050) 10.388 11.638 ( 13.811 -5.102 -0.528) 14.733 11.783 ( 4.503 -1.107 4.677) 6.586 14.351 ( -3.796 1.698 13.198) 13.838 14.605 ( -10.839 -2.189 3.532) 11.608 14.744 ( -13.637 9.482 1.808) 16.708 14.966 ( -7.275 9.078 0.413) 11.641 15.249 ( -2.362 -3.873 -1.709) 4.848 15.592 ( 6.577 -10.218 -3.900) 12.762 15.799 ( 8.530 -4.694 0.501) 9.749 15.874 ( -6.272 1.622 -13.772) 15.220 18.179 ( 4.042 0.972 3.838) 5.658 18.361 ( 6.894 3.853 3.049) 8.465 18.958 ( -3.720 0.055 -1.532) 4.024 19.005 ( -2.225 0.693 -1.703) 2.887 ======================= Grid point 295 (140/160) ======================= q-point: ( 0.30 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 15.465 5.091 -11.287) 19.812 1.629 ( 15.514 9.506 -8.673) 20.156 2.153 ( -6.856 6.860 5.831) 11.317 2.240 ( -9.951 0.708 -4.217) 10.831 2.276 ( -6.562 -0.567 7.307) 9.838 2.470 ( -2.495 -7.886 -2.293) 8.583 2.641 ( 10.371 -3.399 1.848) 11.069 2.706 ( -1.625 -1.539 0.795) 2.375 2.755 ( 0.962 -3.027 6.959) 7.650 2.925 ( -12.306 5.274 0.590) 13.402 2.938 ( -2.551 7.601 -10.870) 13.507 3.112 ( -3.685 6.764 -9.071) 11.900 3.266 ( 17.694 -0.225 -10.188) 20.419 3.556 ( 1.330 -10.775 -8.515) 13.798 3.730 ( 2.123 -6.717 8.822) 11.289 3.821 ( -1.033 -4.533 7.976) 9.232 4.039 ( 4.318 4.846 -7.410) 9.850 4.290 ( 5.286 -5.890 4.553) 9.131 4.463 ( -5.225 0.088 -2.343) 5.727 4.489 ( -7.018 4.830 0.448) 8.531 4.738 ( -3.355 4.157 3.257) 6.257 4.943 ( -3.444 -8.505 10.633) 14.045 5.229 ( -3.962 -0.282 -0.006) 3.972 5.303 ( -1.642 0.667 -6.225) 6.473 5.565 ( -3.488 -6.552 -6.036) 9.567 5.690 ( -13.435 3.244 1.222) 13.875 5.772 ( 1.645 -4.088 1.617) 4.694 5.845 ( -3.283 -4.853 2.132) 6.235 6.453 ( 2.319 4.197 -1.176) 4.937 6.662 ( -1.270 11.768 6.126) 13.327 6.738 ( 8.629 9.918 -6.131) 14.506 7.038 ( 2.829 6.389 -1.349) 7.116 7.433 ( 2.085 -8.066 4.939) 9.685 7.623 ( 3.279 -0.196 0.085) 3.286 8.055 ( -3.372 14.386 2.958) 15.069 8.369 ( -1.053 -4.532 -2.664) 5.361 8.858 ( 12.642 -1.727 -3.165) 13.146 9.046 ( 2.572 0.819 -3.754) 4.623 9.398 ( 1.505 0.260 -2.003) 2.519 9.532 ( -3.791 3.794 -1.195) 5.495 9.624 ( -2.382 -3.352 0.381) 4.130 9.666 ( -11.203 -3.257 0.546) 11.679 10.177 ( -4.225 -1.898 -1.489) 4.865 10.296 ( -7.163 -2.211 2.561) 7.921 11.311 ( 12.473 1.940 -2.678) 12.904 11.755 ( 4.189 1.449 5.443) 7.019 11.826 ( 5.236 -5.466 1.031) 7.639 11.870 ( 3.115 -1.874 1.291) 3.858 14.388 ( -9.677 7.331 1.886) 12.286 14.558 ( -2.408 4.491 18.074) 18.779 14.600 ( -12.201 10.502 6.335) 17.300 14.793 ( -10.320 5.472 5.772) 13.030 15.265 ( 5.540 -3.610 -7.935) 10.329 15.491 ( -4.002 0.344 -20.748) 21.133 15.709 ( 5.350 -9.932 -4.315) 12.078 15.910 ( 3.687 -4.072 0.554) 5.521 18.294 ( 5.011 -1.791 2.242) 5.774 18.492 ( 2.502 2.172 4.422) 5.525 18.883 ( -2.872 1.755 -1.253) 3.592 18.944 ( -2.673 2.059 -1.332) 3.628 ======================= Grid point 296 (141/160) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 16.551 -0.562 -3.462) 16.919 1.822 ( 14.286 4.439 -2.839) 15.227 2.032 ( -11.078 -0.660 5.077) 12.204 2.154 ( -0.949 6.394 5.132) 8.254 2.240 ( -4.243 -3.167 -2.699) 5.943 2.409 ( -2.586 -0.160 -1.669) 3.082 2.637 ( -7.323 -0.845 0.253) 7.376 2.670 ( -6.217 1.067 -8.306) 10.429 2.756 ( -5.141 6.205 0.662) 8.085 2.807 ( 0.349 1.375 2.991) 3.310 2.820 ( 1.452 3.791 -0.474) 4.087 3.045 ( -3.997 -0.649 -0.041) 4.049 3.546 ( 14.019 -9.193 -2.223) 16.911 3.574 ( 17.926 -4.038 -5.327) 19.131 3.851 ( -4.222 -3.135 1.765) 5.547 3.900 ( 9.129 -6.248 4.631) 11.993 4.070 ( 3.794 -1.724 -0.642) 4.216 4.273 ( -9.473 -1.061 -0.051) 9.533 4.400 ( -1.019 0.782 2.787) 3.069 4.448 ( -1.286 5.857 -2.579) 6.528 4.722 ( 2.474 -4.560 4.300) 6.738 4.894 ( -7.144 -6.579 1.707) 9.860 5.127 ( -10.273 -3.901 0.527) 11.002 5.308 ( 3.365 4.108 -0.497) 5.334 5.364 ( -7.966 -3.219 -11.695) 14.511 5.469 ( -8.062 7.974 0.795) 11.367 5.829 ( 0.867 -4.933 0.390) 5.024 5.833 ( -2.420 -5.250 3.798) 6.917 6.551 ( 7.710 4.218 3.956) 9.637 6.722 ( -2.885 11.881 9.648) 15.575 6.787 ( 7.139 11.157 -8.728) 15.863 6.962 ( -5.095 2.321 -5.632) 7.941 7.573 ( 3.396 -5.021 7.613) 9.731 7.682 ( 4.115 0.870 -1.936) 4.630 8.040 ( -2.062 10.332 3.327) 11.049 8.254 ( -4.790 -2.602 -7.506) 9.277 9.035 ( 9.540 -3.333 -0.466) 10.117 9.124 ( 12.218 0.624 -3.137) 12.629 9.411 ( -0.647 0.908 0.992) 1.492 9.443 ( -6.392 -0.268 0.438) 6.412 9.517 ( -7.592 -1.817 2.756) 8.278 9.560 ( -3.085 0.247 -3.641) 4.779 10.112 ( -0.188 -1.366 -2.732) 3.060 10.195 ( -7.395 -2.278 1.924) 7.974 11.512 ( 11.730 0.018 0.922) 11.767 11.820 ( -3.798 -2.541 -0.635) 4.613 11.865 ( 2.553 1.049 3.433) 4.405 11.933 ( 2.121 -1.330 -0.638) 2.583 14.273 ( -4.160 10.489 0.645) 11.302 14.403 ( -10.425 13.045 -0.541) 16.708 14.789 ( -4.415 1.555 20.219) 20.754 14.819 ( -2.737 3.286 19.036) 19.510 15.150 ( 1.271 -0.213 -21.391) 21.430 15.235 ( 1.642 1.941 -16.946) 17.136 15.794 ( 6.930 -9.123 -1.027) 11.502 15.936 ( -1.161 -4.188 0.537) 4.379 18.396 ( 5.964 -3.773 -0.431) 7.071 18.531 ( -3.369 -1.683 3.694) 5.275 18.844 ( 0.174 4.279 -1.298) 4.475 18.890 ( -2.643 3.956 -0.144) 4.760 ======================= Grid point 297 (142/160) ======================= q-point: (-0.50 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( -10.298 -1.072 0.495) 10.366 1.867 ( 10.298 -1.072 -0.495) 10.366 2.051 ( -4.062 -2.764 -8.011) 9.397 2.051 ( 4.062 -2.764 8.011) 9.397 2.300 ( -5.070 6.763 -5.828) 10.267 2.300 ( 5.070 6.763 5.828) 10.267 2.545 ( 5.925 1.062 -6.547) 8.894 2.545 ( -5.925 1.062 6.547) 8.894 2.756 ( 1.045 6.052 -3.422) 7.031 2.756 ( -1.045 6.052 3.422) 7.031 2.935 ( -4.804 -2.756 -3.669) 6.644 2.935 ( 4.804 -2.756 3.669) 6.644 3.722 ( -10.385 -8.637 2.035) 13.660 3.722 ( 10.385 -8.637 -2.035) 13.660 3.869 ( -10.597 -6.776 -4.755) 13.447 3.869 ( 10.597 -6.776 4.755) 13.447 4.203 ( -6.700 -2.056 1.172) 7.106 4.203 ( 6.700 -2.056 -1.172) 7.106 4.379 ( -0.713 7.293 -2.679) 7.802 4.379 ( 0.713 7.293 2.679) 7.802 4.833 ( 7.637 -5.223 -5.774) 10.906 4.833 ( -7.637 -5.223 5.774) 10.906 5.075 ( -4.924 -4.140 -9.854) 11.768 5.075 ( 4.924 -4.140 9.854) 11.768 5.390 ( -2.547 6.288 -1.065) 6.868 5.390 ( 2.547 6.288 1.065) 6.868 5.833 ( 1.030 -4.434 -1.925) 4.943 5.833 ( -1.030 -4.434 1.925) 4.943 6.762 ( -2.586 3.469 -10.180) 11.061 6.762 ( 2.586 3.469 10.180) 11.061 6.780 ( -0.768 10.695 -5.607) 12.100 6.780 ( 0.768 10.695 5.607) 12.100 7.682 ( 1.641 -1.641 -6.907) 7.286 7.682 ( -1.641 -1.641 6.907) 7.286 8.095 ( -2.697 3.826 -6.159) 7.736 8.095 ( 2.697 3.826 6.159) 7.736 9.187 ( -4.339 -2.651 -4.215) 6.604 9.187 ( 4.339 -2.651 4.215) 6.604 9.399 ( -4.421 -2.951 -3.966) 6.633 9.399 ( 4.421 -2.951 3.966) 6.633 9.474 ( -1.537 3.489 -1.619) 4.142 9.474 ( 1.537 3.489 1.619) 4.142 10.116 ( 4.477 -1.774 -2.600) 5.472 10.116 ( -4.477 -1.774 2.600) 5.472 11.701 ( -6.719 -1.535 -2.719) 7.409 11.701 ( 6.719 -1.535 2.719) 7.409 11.926 ( 0.471 0.562 -3.131) 3.216 11.926 ( -0.471 0.562 3.131) 3.216 14.275 ( -3.187 11.837 -1.166) 12.314 14.275 ( 3.187 11.837 1.166) 12.314 14.930 ( 4.175 0.873 -19.422) 19.885 14.930 ( -4.175 0.873 19.422) 19.885 15.051 ( 2.762 2.959 -20.648) 21.040 15.051 ( -2.762 2.959 20.648) 21.041 15.889 ( -3.073 -6.210 -0.499) 6.946 15.889 ( 3.073 -6.210 0.499) 6.946 18.483 ( 5.430 -3.991 -2.263) 7.109 18.483 ( -5.430 -3.991 2.263) 7.109 18.854 ( 2.092 5.131 -0.872) 5.609 18.854 ( -2.092 5.131 0.872) 5.609 ======================= Grid point 303 (143/160) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 2.146 6.513 -9.471) 11.693 1.715 ( -2.146 6.513 9.471) 11.693 1.966 ( 3.819 8.488 -13.695) 16.559 1.966 ( -3.819 8.488 13.695) 16.559 2.432 ( 3.598 -1.649 -6.883) 7.940 2.432 ( -3.598 -1.649 6.883) 7.940 2.743 ( -3.685 -9.408 -2.411) 10.387 2.743 ( 3.685 -9.408 2.411) 10.387 3.051 ( -5.641 -11.098 -6.662) 14.120 3.051 ( 5.641 -11.098 6.662) 14.120 3.353 ( -1.561 6.667 -9.513) 11.721 3.353 ( 1.561 6.667 9.513) 11.721 3.564 ( -0.839 4.960 -5.404) 7.383 3.564 ( 0.839 4.960 5.404) 7.383 3.976 ( -7.097 9.315 -8.513) 14.478 3.976 ( 7.097 9.315 8.513) 14.478 4.293 ( -5.951 1.145 -9.440) 11.218 4.293 ( 5.951 1.145 9.440) 11.218 4.388 ( 4.256 -0.690 -2.471) 4.969 4.388 ( -4.256 -0.690 2.471) 4.969 4.700 ( 6.142 1.918 -6.525) 9.164 4.700 ( -6.142 1.918 6.525) 9.164 5.289 ( -1.099 -3.698 -6.877) 7.885 5.289 ( 1.099 -3.698 6.877) 7.885 5.624 ( -0.226 -9.227 -4.570) 10.299 5.624 ( 0.226 -9.227 4.570) 10.299 5.807 ( -15.196 6.499 -3.255) 16.845 5.807 ( 15.196 6.499 3.255) 16.845 6.422 ( -10.804 -5.424 2.069) 12.265 6.422 ( 10.804 -5.424 -2.069) 12.265 7.011 ( 1.101 9.395 -1.127) 9.527 7.011 ( -1.101 9.395 1.127) 9.527 7.499 ( -0.304 -5.806 -3.785) 6.937 7.499 ( 0.304 -5.806 3.785) 6.937 8.280 ( 0.615 9.005 -6.407) 11.069 8.280 ( -0.615 9.005 6.407) 11.069 8.949 ( 1.583 5.168 -10.505) 11.814 8.949 ( -1.583 5.168 10.505) 11.814 9.406 ( -4.343 1.448 -2.548) 5.239 9.406 ( 4.343 1.448 2.548) 5.239 9.992 ( 5.013 -8.922 -2.797) 10.610 9.992 ( -5.013 -8.922 2.797) 10.610 10.274 ( 0.998 -5.202 -3.238) 6.208 10.274 ( -0.998 -5.202 3.238) 6.208 11.346 ( 1.239 5.856 -8.767) 10.616 11.346 ( -1.239 5.856 8.767) 10.616 11.456 ( -0.469 0.917 -8.058) 8.124 11.456 ( 0.469 0.917 8.058) 8.124 14.422 ( -7.538 -2.969 -1.711) 8.281 14.422 ( 7.538 -2.969 1.711) 8.281 14.886 ( -10.313 -13.856 -0.212) 17.274 14.886 ( 10.313 -13.856 0.212) 17.274 15.409 ( -5.471 3.372 -5.280) 8.317 15.409 ( 5.471 3.372 5.280) 8.317 16.024 ( -11.062 6.284 -1.240) 12.783 16.024 ( 11.062 6.284 1.240) 12.783 18.181 ( -1.223 3.163 -1.836) 3.857 18.181 ( 1.223 3.163 1.836) 3.857 19.048 ( -0.412 -1.078 -0.696) 1.348 19.048 ( 0.412 -1.078 0.696) 1.348 ======================= Grid point 305 (144/160) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 8.671 11.626 -6.674) 15.965 1.802 ( 5.669 8.249 -8.011) 12.820 1.965 ( 6.222 7.923 5.395) 11.427 2.072 ( -2.713 3.448 12.950) 13.673 2.403 ( 0.463 -1.345 -4.210) 4.444 2.449 ( -6.229 -4.055 9.650) 12.181 2.571 ( -9.545 -4.527 -2.601) 10.879 2.772 ( -2.068 -7.757 -0.644) 8.054 2.881 ( -6.999 -9.743 -4.405) 12.780 3.178 ( 8.113 8.418 -18.028) 21.487 3.219 ( 1.291 -9.461 3.818) 10.284 3.363 ( -4.125 -6.268 -3.886) 8.450 3.500 ( -2.527 5.700 0.751) 6.280 3.550 ( -6.240 0.402 -8.642) 10.667 3.721 ( -8.254 11.024 -2.422) 13.983 3.980 ( -9.465 1.045 -4.741) 10.638 4.111 ( -4.250 6.812 -1.158) 8.112 4.324 ( 2.782 2.891 -7.647) 8.635 4.446 ( 4.468 7.776 11.159) 14.316 4.572 ( 1.366 -4.777 6.717) 8.355 4.718 ( 1.976 -0.041 1.803) 2.675 4.808 ( 5.009 5.398 3.033) 7.964 5.201 ( 1.589 0.429 -4.294) 4.598 5.304 ( -4.400 -4.275 0.307) 6.142 5.546 ( -2.480 -10.318 -5.523) 11.963 5.648 ( -3.214 -2.306 5.593) 6.850 5.712 ( 1.238 -5.748 5.200) 7.849 6.120 ( -0.135 1.641 3.287) 3.677 6.230 ( 2.988 -1.261 3.438) 4.726 6.567 ( 12.137 -2.650 -9.959) 15.922 6.971 ( -3.951 9.340 3.269) 10.655 7.071 ( 4.005 11.935 0.199) 12.590 7.419 ( -2.530 -7.193 -3.977) 8.600 7.530 ( 0.699 -1.657 -0.261) 1.817 8.251 ( 0.885 3.195 -0.211) 3.322 8.357 ( -2.111 10.646 8.371) 13.706 8.838 ( 1.105 5.366 -10.932) 12.228 9.017 ( -1.600 3.020 5.910) 6.827 9.349 ( -0.011 -0.310 -0.821) 0.878 9.536 ( 4.814 3.589 4.922) 7.765 9.864 ( -9.183 -8.073 -0.618) 12.242 9.935 ( -6.700 -5.871 -5.525) 10.483 10.229 ( -2.578 -5.878 1.615) 6.619 10.316 ( -1.922 -5.196 3.727) 6.677 11.282 ( 5.187 6.415 -10.608) 13.438 11.399 ( 8.996 1.333 -6.865) 11.395 11.489 ( 2.553 2.752 7.584) 8.462 11.606 ( 4.663 -0.770 7.357) 8.744 14.337 ( -3.864 0.759 4.924) 6.305 14.568 ( 1.292 -3.058 5.801) 6.684 14.794 ( 2.311 -11.221 -0.091) 11.456 15.089 ( 12.430 -14.061 -1.576) 18.833 15.201 ( -10.226 6.510 -2.884) 12.461 15.547 ( 4.466 0.575 0.488) 4.530 15.760 ( -16.722 6.758 -0.655) 18.048 16.100 ( -1.804 2.509 -3.192) 4.443 18.180 ( 1.805 4.857 2.195) 5.627 18.275 ( 6.380 2.451 1.132) 6.927 19.013 ( -1.964 -1.171 -1.718) 2.860 19.045 ( -0.994 -0.682 -0.398) 1.270 ======================= Grid point 306 (145/160) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 4.912 16.884 -14.809) 22.989 1.785 ( 7.602 11.343 -11.795) 18.044 2.168 ( -0.189 -0.060 9.491) 9.493 2.193 ( 4.998 1.265 11.018) 12.165 2.347 ( -0.962 -4.769 -5.332) 7.219 2.424 ( -2.130 -3.385 2.123) 4.528 2.535 ( -5.940 -4.340 12.886) 14.838 2.624 ( -11.265 -2.313 -1.836) 11.646 2.739 ( -6.176 -2.467 2.302) 7.037 3.105 ( -4.545 -9.222 -12.061) 15.848 3.144 ( 9.207 3.947 -12.284) 15.851 3.266 ( -6.140 6.033 -3.174) 9.175 3.410 ( 0.887 -6.671 6.327) 9.237 3.495 ( 1.636 1.135 -9.837) 10.036 3.603 ( -0.321 9.903 -7.364) 12.345 3.760 ( -11.243 -0.974 -0.710) 11.307 4.030 ( -0.742 -0.228 -1.127) 1.369 4.272 ( 0.147 6.188 -4.539) 7.675 4.539 ( -5.072 -3.492 1.756) 6.404 4.689 ( -1.048 -7.197 8.604) 11.266 4.738 ( -5.501 7.225 3.322) 9.670 4.850 ( 2.228 9.035 1.753) 9.469 5.237 ( -1.401 -3.631 -1.370) 4.126 5.282 ( 7.823 0.421 -0.825) 7.878 5.430 ( -3.239 -12.403 -5.500) 13.949 5.676 ( -2.871 -7.067 5.560) 9.439 5.757 ( -1.837 -1.519 2.401) 3.383 5.939 ( -9.868 -2.358 -0.236) 10.148 6.513 ( 8.199 4.457 3.437) 9.944 6.642 ( 14.152 1.367 -9.334) 17.008 6.957 ( -2.500 10.821 4.007) 11.807 7.164 ( 6.482 12.872 1.300) 14.470 7.329 ( -3.314 -4.640 -2.823) 6.363 7.551 ( 3.085 0.255 -0.204) 3.102 8.281 ( 1.203 -0.819 0.664) 1.600 8.373 ( -6.013 8.550 5.845) 11.976 8.771 ( 3.980 4.143 -6.490) 8.668 9.046 ( 0.467 1.144 1.365) 1.841 9.371 ( 3.159 -1.711 -0.812) 3.683 9.596 ( -7.074 -1.615 1.365) 7.383 9.712 ( -3.409 -1.758 -2.106) 4.376 9.754 ( -7.967 -0.581 0.065) 7.989 10.177 ( -3.926 -5.983 -0.505) 7.174 10.303 ( -5.213 -4.403 3.825) 7.823 11.285 ( 8.393 6.095 -7.968) 13.080 11.542 ( 13.790 -2.526 -3.389) 14.423 11.637 ( 4.244 1.548 7.058) 8.380 11.747 ( 3.621 -2.327 4.138) 5.970 14.415 ( 0.160 4.176 12.878) 13.539 14.591 ( -4.324 0.877 6.963) 8.243 14.939 ( 1.230 -2.104 -0.093) 2.439 14.967 ( -0.077 3.971 -2.079) 4.483 15.267 ( 1.196 -4.874 -1.656) 5.284 15.432 ( -8.958 3.474 -0.733) 9.636 15.652 ( 3.813 -8.227 -3.845) 9.849 15.911 ( -9.175 1.420 -9.358) 13.182 18.261 ( 2.267 5.775 3.928) 7.343 18.409 ( 6.302 1.362 2.486) 6.910 18.952 ( -2.182 -0.796 -2.019) 3.078 19.012 ( -1.677 -0.158 -1.040) 1.979 ======================= Grid point 307 (146/160) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 6.163 12.449 -12.171) 18.469 1.805 ( 8.898 7.480 -7.877) 14.041 2.167 ( -6.030 -4.670 -4.831) 9.029 2.255 ( -6.129 -1.657 5.273) 8.253 2.310 ( -6.644 -1.386 0.652) 6.818 2.384 ( -2.304 3.495 3.070) 5.191 2.507 ( 5.859 -4.455 6.439) 9.780 2.642 ( 0.399 -3.166 1.904) 3.716 2.777 ( -1.708 -0.308 9.215) 9.377 2.963 ( 1.401 -4.304 -5.474) 7.102 3.030 ( -12.507 4.028 2.674) 13.409 3.255 ( -3.320 6.771 -15.253) 17.016 3.324 ( 8.468 1.102 -5.965) 10.417 3.460 ( 2.272 3.722 -5.019) 6.649 3.622 ( 4.541 -2.350 3.974) 6.476 3.667 ( 0.230 -7.987 1.927) 8.219 4.074 ( 1.423 -0.837 3.672) 4.026 4.211 ( -0.614 -0.102 -3.484) 3.540 4.433 ( -9.103 -0.750 0.246) 9.138 4.642 ( -8.519 -4.217 -0.449) 9.516 4.652 ( -2.061 -1.185 2.592) 3.517 4.907 ( -1.949 5.845 2.191) 6.539 5.205 ( -4.575 -5.375 -4.904) 8.595 5.300 ( 1.059 -1.081 2.037) 2.537 5.413 ( 4.484 -4.434 -5.121) 8.124 5.677 ( -3.093 -5.975 4.191) 7.926 5.743 ( -1.779 -0.023 0.830) 1.964 5.780 ( -7.955 0.264 -1.510) 8.101 6.577 ( 4.926 7.080 -3.137) 9.178 6.802 ( 7.208 3.337 0.084) 7.943 6.985 ( 1.803 11.323 1.106) 11.519 7.203 ( -3.984 5.949 -2.504) 7.585 7.359 ( 7.599 2.502 4.369) 9.115 7.627 ( 5.143 0.929 0.145) 5.228 8.269 ( -1.350 -3.953 -4.039) 5.811 8.323 ( -5.890 10.239 5.148) 12.886 8.825 ( 7.967 -0.265 -2.359) 8.313 9.070 ( 3.372 1.434 -2.267) 4.309 9.417 ( 2.010 -4.184 -0.186) 4.646 9.463 ( -5.921 -0.263 1.327) 6.074 9.562 ( -10.161 -6.100 -0.296) 11.855 9.718 ( -1.565 7.562 -0.754) 7.759 10.109 ( -3.280 -5.103 -0.502) 6.087 10.230 ( -6.632 -4.091 1.226) 7.888 11.380 ( 10.243 4.736 -3.059) 11.692 11.728 ( 9.360 -3.279 -0.369) 9.925 11.782 ( 3.751 0.635 5.714) 6.865 11.820 ( 2.206 -2.831 0.694) 3.656 14.557 ( -2.583 7.583 7.259) 10.810 14.660 ( -0.145 6.230 15.736) 16.925 14.794 ( -8.199 8.447 4.865) 12.738 15.014 ( -15.300 13.696 0.151) 20.535 15.155 ( 8.949 -6.920 -4.657) 12.234 15.435 ( 5.092 -6.261 -11.222) 13.822 15.558 ( -0.023 -4.759 -12.096) 12.998 15.776 ( 0.205 -6.490 1.227) 6.609 18.327 ( 1.680 4.099 1.876) 4.811 18.506 ( 0.341 -0.137 3.299) 3.320 18.909 ( -0.187 0.367 -1.378) 1.439 18.973 ( -1.269 0.624 -0.948) 1.703 ======================= Grid point 308 (147/160) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 8.404 3.742 -3.022) 9.683 1.897 ( 8.681 2.382 -2.952) 9.474 1.990 ( -8.444 -3.498 -0.918) 9.186 2.130 ( -5.230 -3.796 -4.579) 7.920 2.330 ( 1.015 5.814 5.617) 8.147 2.425 ( 1.284 1.091 1.634) 2.347 2.585 ( -1.283 -1.848 3.148) 3.869 2.681 ( 1.203 -0.529 -7.530) 7.643 2.776 ( -1.069 -0.968 3.043) 3.368 2.893 ( -9.526 4.646 9.073) 13.951 2.935 ( -1.624 4.878 -6.371) 8.187 3.068 ( -6.068 1.652 -2.591) 6.802 3.301 ( 7.224 -9.674 -4.950) 13.049 3.575 ( 4.270 -0.644 1.135) 4.465 3.715 ( -0.625 -8.977 0.953) 9.049 3.768 ( 6.308 -7.180 -0.057) 9.558 3.997 ( -1.087 -2.531 -0.829) 2.876 4.308 ( -3.882 4.454 0.378) 5.921 4.348 ( 6.118 -3.555 9.833) 12.114 4.535 ( -1.850 0.867 -2.292) 3.070 4.677 ( 2.744 0.651 -1.554) 3.220 4.853 ( -7.658 2.543 4.054) 9.030 5.002 ( -9.085 -8.059 -3.177) 12.552 5.280 ( -5.402 -4.129 -13.365) 14.995 5.408 ( 4.094 4.731 2.916) 6.903 5.612 ( -5.921 5.055 -0.907) 7.838 5.718 ( 0.256 -4.853 2.441) 5.438 5.747 ( -0.504 -3.615 0.791) 3.735 6.668 ( 6.317 6.811 2.624) 9.653 6.880 ( 1.739 2.856 0.250) 3.354 7.015 ( 2.126 10.323 -2.386) 10.806 7.095 ( -4.625 9.110 -1.995) 10.410 7.529 ( 5.119 0.740 5.211) 7.343 7.690 ( 2.796 -0.525 -2.507) 3.792 8.193 ( -1.866 1.933 -1.159) 2.927 8.278 ( -3.942 8.250 0.290) 9.147 8.957 ( 8.946 -3.809 -0.191) 9.725 9.134 ( 7.879 0.411 -3.485) 8.626 9.360 ( -10.814 -5.439 2.062) 12.280 9.397 ( -5.110 -5.948 3.228) 8.480 9.498 ( 3.746 3.944 -0.911) 5.515 9.656 ( -3.655 6.641 -1.686) 7.766 10.060 ( -0.567 -4.067 -1.874) 4.514 10.127 ( -6.248 -4.104 0.726) 7.511 11.538 ( 9.534 2.654 0.505) 9.909 11.780 ( -2.436 -0.856 -0.198) 2.589 11.880 ( 4.551 -0.574 -0.134) 4.589 11.889 ( 2.419 -2.147 2.654) 4.183 14.545 ( -1.044 14.695 0.192) 14.733 14.708 ( -10.929 14.550 1.510) 18.260 14.834 ( -4.786 3.047 16.088) 17.059 14.912 ( -1.053 5.578 14.244) 15.334 15.146 ( 3.210 -0.188 -15.372) 15.705 15.275 ( 1.484 1.510 -15.048) 15.196 15.601 ( 9.299 -8.713 -2.348) 12.957 15.791 ( -1.998 -8.971 1.501) 9.313 18.372 ( 3.159 0.989 -0.486) 3.345 18.496 ( -4.967 -1.368 2.737) 5.834 18.912 ( 1.677 1.886 -0.931) 2.690 18.950 ( -0.966 1.713 -0.089) 1.969 ======================= Grid point 309 (148/160) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -8.184 -2.454 -2.693) 8.959 1.823 ( 8.184 -2.454 2.693) 8.959 2.012 ( 0.631 -2.253 -5.844) 6.295 2.012 ( -0.631 -2.253 5.844) 6.295 2.425 ( -0.503 5.096 -4.153) 6.593 2.425 ( 0.503 5.096 4.153) 6.593 2.582 ( 2.998 2.812 -6.685) 7.848 2.582 ( -2.998 2.812 6.685) 7.848 2.842 ( -0.302 0.484 -8.263) 8.283 2.842 ( 0.302 0.484 8.263) 8.283 2.922 ( -0.867 2.599 -6.137) 6.721 2.922 ( 0.867 2.599 6.137) 6.721 3.495 ( -11.199 -12.552 0.130) 16.822 3.495 ( 11.199 -12.552 -0.130) 16.822 3.712 ( -2.337 -8.005 -2.551) 8.720 3.712 ( 2.337 -8.005 2.551) 8.720 4.210 ( -12.471 3.350 -0.121) 12.914 4.210 ( 12.471 3.350 0.121) 12.914 4.473 ( -0.338 0.937 -5.873) 5.956 4.473 ( 0.338 0.937 5.873) 5.956 4.751 ( 9.331 -1.841 -6.246) 11.378 4.751 ( -9.331 -1.841 6.246) 11.378 5.007 ( -4.620 -2.176 -11.288) 12.389 5.007 ( 4.620 -2.176 11.288) 12.389 5.511 ( -3.029 5.009 -3.713) 6.932 5.511 ( 3.029 5.009 3.713) 6.932 5.743 ( 1.241 -4.276 -2.460) 5.087 5.743 ( -1.241 -4.276 2.460) 5.087 6.822 ( -4.231 3.230 -5.834) 7.897 6.822 ( 4.231 3.230 5.834) 7.897 7.029 ( 0.525 11.104 -3.586) 11.681 7.029 ( -0.525 11.104 3.586) 11.681 7.649 ( -0.339 -1.443 -6.320) 6.492 7.649 ( 0.339 -1.443 6.320) 6.492 8.207 ( 1.877 6.985 -5.145) 8.876 8.207 ( -1.877 6.985 5.145) 8.876 9.114 ( -6.234 -4.353 -3.256) 8.271 9.114 ( 6.234 -4.353 3.256) 8.271 9.323 ( -3.859 -3.963 -1.700) 5.787 9.323 ( 3.859 -3.963 1.700) 5.787 9.570 ( -3.682 5.627 -1.432) 6.875 9.570 ( 3.682 5.627 1.432) 6.875 10.058 ( 2.698 -3.917 -2.199) 5.241 10.058 ( -2.698 -3.917 2.199) 5.241 11.690 ( -3.919 0.658 -3.219) 5.114 11.690 ( 3.919 0.658 3.219) 5.114 11.922 ( 2.196 -0.942 -3.010) 3.843 11.922 ( -2.196 -0.942 3.010) 3.843 14.574 ( -4.703 15.761 -0.249) 16.449 14.574 ( 4.703 15.761 0.249) 16.449 14.954 ( 3.890 1.411 -16.163) 16.685 14.954 ( -3.890 1.411 16.163) 16.685 15.128 ( 2.219 4.154 -15.635) 16.329 15.128 ( -2.219 4.154 15.635) 16.329 15.728 ( -5.660 -8.699 0.478) 10.389 15.728 ( 5.660 -8.699 -0.478) 10.389 18.431 ( 1.556 -1.174 -2.033) 2.816 18.431 ( -1.556 -1.174 2.033) 2.816 18.932 ( -0.490 2.372 0.081) 2.424 18.932 ( 0.490 2.372 -0.081) 2.424 ======================= Grid point 315 (149/160) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 1.718 3.397 -7.906) 8.775 1.824 ( -1.718 3.397 7.906) 8.775 2.084 ( 4.823 3.009 -8.953) 10.606 2.084 ( -4.823 3.009 8.953) 10.606 2.393 ( 4.682 -1.712 -4.316) 6.594 2.393 ( -4.682 -1.712 4.316) 6.594 2.595 ( -4.140 -2.651 -3.399) 5.977 2.595 ( 4.140 -2.651 3.399) 5.977 2.848 ( -4.999 -9.576 -4.881) 11.854 2.848 ( 4.999 -9.576 4.881) 11.854 3.258 ( 1.000 -5.707 -3.308) 6.671 3.258 ( -1.000 -5.707 3.308) 6.671 3.922 ( -0.398 17.191 -5.443) 18.036 3.922 ( 0.398 17.191 5.443) 18.036 4.144 ( -3.731 3.627 -0.986) 5.296 4.144 ( 3.731 3.627 0.986) 5.296 4.326 ( -13.652 7.214 -4.813) 16.174 4.326 ( 13.652 7.214 4.813) 16.174 4.472 ( -2.232 7.852 -5.643) 9.923 4.472 ( 2.232 7.852 5.643) 9.923 4.709 ( -3.862 -1.555 -0.132) 4.165 4.709 ( 3.862 -1.555 0.132) 4.165 5.195 ( 0.065 -5.169 -5.457) 7.517 5.195 ( -0.065 -5.169 5.457) 7.517 5.360 ( -0.141 -15.030 -5.521) 16.012 5.360 ( 0.141 -15.030 5.521) 16.012 5.973 ( -18.171 8.648 -0.200) 20.125 5.973 ( 18.171 8.648 0.200) 20.125 6.294 ( -15.926 -6.907 3.362) 17.681 6.294 ( 15.926 -6.907 -3.362) 17.681 7.139 ( -3.342 2.949 -0.659) 4.506 7.139 ( 3.342 2.949 0.659) 4.506 7.402 ( -2.546 -2.778 -4.585) 5.935 7.402 ( 2.546 -2.778 4.585) 5.935 8.467 ( 0.092 7.691 -8.165) 11.217 8.467 ( -0.092 7.691 8.165) 11.217 9.074 ( 1.661 7.441 -7.578) 10.750 9.074 ( -1.661 7.441 7.578) 10.750 9.417 ( -3.665 -1.742 -3.957) 5.668 9.417 ( 3.665 -1.742 3.957) 5.668 9.822 ( 5.863 -6.243 -3.039) 9.088 9.822 ( -5.863 -6.243 3.039) 9.088 10.163 ( 0.403 -5.056 -2.415) 5.618 10.163 ( -0.403 -5.056 2.415) 5.618 11.444 ( 2.227 3.137 -8.844) 9.645 11.444 ( -2.227 3.137 8.844) 9.645 11.476 ( 1.105 1.191 -8.417) 8.572 11.476 ( -1.105 1.191 8.417) 8.572 14.378 ( -4.169 -1.771 -1.107) 4.663 14.378 ( 4.169 -1.771 1.107) 4.663 14.664 ( -5.606 -7.137 -0.299) 9.081 14.664 ( 5.606 -7.137 0.299) 9.081 15.448 ( -2.431 0.699 -3.181) 4.064 15.448 ( 2.431 0.699 3.181) 4.064 16.116 ( -6.434 2.826 -0.658) 7.058 16.116 ( 6.434 2.826 0.658) 7.058 18.245 ( -1.036 2.679 -1.174) 3.103 18.245 ( 1.036 2.679 1.174) 3.103 19.024 ( -0.259 -1.139 -0.872) 1.458 19.024 ( 0.259 -1.139 0.872) 1.458 ======================= Grid point 317 (150/160) ======================= q-point: ( 0.10 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 8.920 3.821 -2.158) 9.941 1.981 ( 5.930 6.647 8.163) 12.082 2.084 ( 6.496 3.017 -6.455) 9.642 2.124 ( -4.097 1.457 11.343) 12.148 2.337 ( -9.445 -4.852 7.527) 13.016 2.393 ( 0.580 -0.052 -4.424) 4.462 2.472 ( -5.612 -2.717 -2.416) 6.687 2.638 ( -0.910 -4.726 -4.498) 6.587 2.730 ( -3.864 -4.792 1.910) 6.445 2.972 ( 3.424 -9.994 1.057) 10.618 3.185 ( -2.513 -4.622 -5.535) 7.637 3.235 ( -2.720 -5.991 -0.155) 6.582 3.745 ( -13.034 11.467 -3.170) 17.647 3.783 ( -6.247 17.214 -14.930) 23.627 3.952 ( -2.771 9.700 -4.242) 10.943 4.000 ( -4.137 1.971 -12.185) 13.018 4.211 ( -11.982 1.894 3.643) 12.665 4.417 ( 4.200 4.518 -3.153) 6.927 4.470 ( -3.162 2.022 0.692) 3.816 4.607 ( -0.993 -0.656 2.591) 2.852 4.801 ( 11.967 11.331 7.657) 18.172 4.884 ( 7.610 2.271 3.358) 8.622 5.158 ( 2.472 -3.030 -3.599) 5.315 5.221 ( -1.939 -5.338 2.908) 6.380 5.281 ( -3.771 -14.645 -3.553) 15.534 5.474 ( 3.160 -12.050 5.630) 13.670 5.740 ( -10.072 6.255 4.924) 12.838 6.041 ( -14.622 -6.551 1.465) 16.089 6.306 ( 18.217 5.472 1.688) 19.096 6.497 ( 15.063 -3.989 -7.552) 17.316 7.092 ( -2.550 3.145 2.180) 4.598 7.228 ( 3.698 -1.578 0.849) 4.109 7.323 ( 0.075 3.692 -2.037) 4.217 7.507 ( 3.761 -1.650 2.808) 4.975 8.358 ( -1.060 7.005 -7.432) 10.267 8.511 ( -2.846 3.061 2.632) 4.939 9.001 ( -0.669 10.602 -4.592) 11.573 9.100 ( -2.583 5.440 3.379) 6.905 9.324 ( -3.572 -2.915 0.009) 4.610 9.550 ( 2.139 -5.973 4.970) 8.059 9.730 ( -6.402 -1.262 1.649) 6.731 9.842 ( 0.784 -2.677 -3.860) 4.763 10.114 ( -3.312 -4.646 0.620) 5.739 10.193 ( -1.757 -6.398 3.702) 7.598 11.401 ( 5.265 4.706 -9.261) 11.646 11.435 ( 6.420 1.969 -7.260) 9.889 11.534 ( 1.213 1.475 7.493) 7.732 11.584 ( 2.868 -1.234 5.982) 6.748 14.372 ( 0.965 2.309 4.838) 5.447 14.515 ( 5.895 -3.614 5.712) 8.969 14.621 ( 1.378 -3.592 0.485) 3.878 14.814 ( 10.676 -11.189 1.137) 15.507 15.331 ( -5.104 5.364 -4.902) 8.880 15.509 ( 2.937 -3.504 -1.735) 4.890 15.912 ( -15.149 7.415 -1.051) 16.899 16.112 ( -5.628 -1.421 -2.445) 6.298 18.269 ( 3.337 3.685 2.009) 5.362 18.323 ( 4.757 1.745 2.204) 5.525 18.990 ( -1.577 -0.663 -1.837) 2.510 19.023 ( -0.830 -1.422 -0.308) 1.675 ======================= Grid point 318 (151/160) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 6.209 6.219 -9.864) 13.211 2.040 ( 2.280 12.821 -7.048) 14.807 2.143 ( 3.381 -2.521 -2.843) 5.086 2.207 ( -4.891 0.729 11.746) 12.744 2.287 ( -3.901 0.458 -3.455) 5.231 2.368 ( -3.760 -2.107 -0.504) 4.339 2.396 ( -0.851 -8.094 17.574) 19.367 2.560 ( -2.819 -5.829 1.665) 6.685 2.703 ( -4.169 0.531 3.362) 5.382 2.920 ( -1.846 -7.775 -8.872) 11.940 3.119 ( 0.513 -2.168 -1.693) 2.798 3.249 ( 1.240 -6.413 5.571) 8.584 3.479 ( -10.087 10.145 -0.990) 14.340 3.639 ( 1.154 8.128 -13.830) 16.083 3.756 ( -8.722 2.225 -8.238) 12.202 3.815 ( -3.114 7.489 -10.112) 12.963 4.084 ( -8.711 3.517 6.829) 11.614 4.413 ( -0.861 0.705 3.427) 3.603 4.454 ( -2.472 -0.050 -7.889) 8.267 4.522 ( -3.088 -0.627 -1.936) 3.698 4.867 ( -9.183 1.042 0.649) 9.265 5.013 ( 5.342 5.319 -0.303) 7.545 5.134 ( -4.423 -13.494 -5.200) 15.122 5.198 ( 1.410 -0.517 2.576) 2.982 5.317 ( 7.819 0.949 0.759) 7.913 5.523 ( -1.476 -6.488 3.359) 7.453 5.737 ( -2.185 0.300 5.488) 5.915 5.877 ( -6.815 -3.754 1.860) 8.000 6.592 ( 11.584 3.035 -0.484) 11.985 6.656 ( 15.018 -0.026 -4.561) 15.695 7.101 ( -0.069 3.912 2.935) 4.891 7.232 ( -0.267 -4.472 -1.163) 4.629 7.395 ( 5.607 9.642 1.394) 11.240 7.589 ( 3.675 1.237 0.875) 3.975 8.279 ( 0.148 2.491 -4.825) 5.432 8.452 ( -3.193 -1.249 -1.487) 3.737 8.954 ( -2.990 12.794 0.953) 13.174 9.088 ( -0.653 3.051 0.454) 3.153 9.285 ( -1.822 -5.888 0.543) 6.188 9.527 ( -8.357 -11.162 2.113) 14.103 9.645 ( -4.204 5.551 -1.529) 7.129 9.851 ( 1.823 4.095 2.058) 4.933 10.046 ( -4.393 -5.603 -1.161) 7.214 10.192 ( -3.949 -6.228 3.614) 8.213 11.412 ( 7.474 5.859 -6.822) 11.693 11.522 ( 11.176 0.020 -4.122) 11.912 11.654 ( 3.342 0.191 6.098) 6.956 11.694 ( 3.230 -2.554 3.687) 5.527 14.505 ( 3.436 4.369 9.970) 11.415 14.641 ( 0.465 3.529 9.389) 10.041 14.765 ( 12.616 -7.160 0.299) 14.510 15.029 ( 12.415 -11.855 0.886) 17.189 15.171 ( -6.058 8.707 -5.510) 11.953 15.489 ( -1.187 -7.319 -6.538) 9.885 15.636 ( -13.708 10.599 -0.888) 17.350 15.911 ( -10.929 -1.892 -5.126) 12.218 18.365 ( 2.680 3.918 3.557) 5.931 18.432 ( 4.341 0.806 2.555) 5.101 18.937 ( -1.291 -0.129 -2.426) 2.751 18.995 ( -1.334 -1.525 -0.950) 2.238 ======================= Grid point 319 (152/160) ======================= q-point: ( 0.30 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.739 6.657 -11.541) 13.344 1.957 ( -0.420 9.357 -7.453) 11.970 2.050 ( -2.819 -5.378 -7.841) 9.917 2.206 ( -6.690 -2.689 -3.141) 7.864 2.293 ( -1.009 0.335 11.143) 11.194 2.350 ( -0.439 -2.833 6.457) 7.065 2.539 ( 1.352 -0.608 1.652) 2.219 2.610 ( 3.824 1.509 5.898) 7.190 2.688 ( -0.604 -5.112 -1.342) 5.319 2.880 ( 2.544 -4.271 4.624) 6.789 3.099 ( -7.045 3.921 3.469) 8.778 3.300 ( -5.517 -2.619 -2.834) 6.733 3.365 ( -4.241 4.614 -1.495) 6.443 3.474 ( 1.065 -0.199 -5.016) 5.132 3.567 ( -3.134 -3.647 -3.242) 5.800 3.683 ( -3.253 1.868 -5.309) 6.501 4.065 ( -5.955 0.786 7.739) 9.797 4.231 ( -4.135 0.694 -7.155) 8.293 4.463 ( -1.748 4.747 0.601) 5.094 4.498 ( 1.686 1.666 1.788) 2.969 4.734 ( -3.973 -0.388 -0.267) 4.001 4.960 ( -4.505 -14.450 -7.435) 16.863 5.035 ( -2.825 6.012 -1.481) 6.806 5.269 ( 2.997 -3.442 -1.645) 4.851 5.408 ( 3.683 1.502 -0.695) 4.038 5.550 ( -0.627 -5.297 4.508) 6.983 5.733 ( -1.770 0.625 -0.023) 1.877 5.799 ( -4.519 -0.039 -0.756) 4.582 6.717 ( 7.717 6.284 -2.380) 10.232 6.842 ( 7.322 0.731 0.403) 7.369 7.145 ( 1.884 4.512 0.957) 4.982 7.226 ( -0.056 -1.276 0.361) 1.327 7.497 ( 4.941 7.423 0.687) 8.943 7.651 ( 2.999 0.363 -0.771) 3.118 8.241 ( 1.803 2.020 -3.978) 4.812 8.420 ( -0.746 -1.162 1.733) 2.216 8.913 ( -2.435 9.216 0.594) 9.551 9.103 ( 2.508 1.945 -0.661) 3.242 9.272 ( -1.625 -6.581 2.417) 7.196 9.379 ( -10.841 -9.702 1.451) 14.621 9.590 ( -0.073 7.724 -1.040) 7.794 9.873 ( -2.173 7.166 0.034) 7.489 9.967 ( -2.766 -8.340 -0.364) 8.795 10.135 ( -5.439 -5.199 0.412) 7.535 11.493 ( 8.494 5.908 -2.823) 10.725 11.682 ( 10.532 -2.193 -1.183) 10.822 11.761 ( 1.635 -1.597 2.604) 3.465 11.786 ( 3.515 -0.820 3.801) 5.242 14.678 ( 2.456 4.961 10.174) 11.583 14.796 ( 1.195 5.909 13.724) 14.990 14.937 ( 2.751 0.777 -1.608) 3.280 15.053 ( 3.724 2.843 -3.354) 5.762 15.179 ( -1.514 -2.558 0.339) 2.992 15.319 ( 0.375 -3.832 -9.069) 9.852 15.494 ( -1.260 2.235 -5.379) 5.960 15.698 ( -6.990 -2.457 -2.900) 7.957 18.414 ( -0.694 3.623 1.874) 4.138 18.499 ( -0.505 -0.669 2.227) 2.380 18.910 ( 1.202 0.345 -1.602) 2.032 18.968 ( -0.329 -1.120 -0.804) 1.417 ======================= Grid point 320 (153/160) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.747 4.346 -5.960) 7.414 1.899 ( -2.881 -3.707 -5.707) 7.390 1.922 ( -0.743 -0.214 -0.931) 1.210 2.045 ( -5.593 -4.498 -4.507) 8.475 2.418 ( 2.777 3.408 6.955) 8.228 2.443 ( 4.025 1.189 2.870) 5.084 2.581 ( 2.426 0.036 3.564) 4.312 2.655 ( 4.476 -2.623 -7.654) 9.247 2.768 ( 4.263 1.966 4.494) 6.499 2.954 ( -9.292 1.413 4.126) 10.265 3.004 ( -1.891 1.245 2.758) 3.568 3.072 ( -9.037 -0.129 -4.109) 9.928 3.212 ( -4.512 0.592 -5.095) 6.831 3.486 ( -12.597 -8.795 -1.260) 15.415 3.542 ( 2.727 -6.842 1.274) 7.475 3.579 ( 0.756 -8.078 -1.248) 8.209 4.063 ( 5.157 7.095 3.111) 9.307 4.315 ( 3.253 -0.807 10.390) 10.917 4.426 ( 2.740 5.967 -1.795) 6.807 4.561 ( -3.408 3.941 4.686) 7.008 4.654 ( -0.118 -4.588 -8.379) 9.554 4.867 ( 0.626 -4.506 0.823) 4.623 4.929 ( -6.356 4.521 -2.853) 8.305 5.177 ( -3.722 -6.329 -11.993) 14.062 5.481 ( 2.473 2.277 4.439) 5.569 5.599 ( 0.409 -4.047 2.999) 5.053 5.692 ( -1.779 0.539 -1.395) 2.324 5.717 ( -1.962 0.888 -2.739) 3.484 6.807 ( 3.904 6.224 1.179) 7.441 6.912 ( 2.127 0.754 -1.550) 2.738 7.172 ( 1.371 5.040 -0.266) 5.230 7.229 ( -0.694 3.261 0.416) 3.360 7.575 ( 3.015 2.739 1.011) 4.197 7.657 ( 0.528 -2.178 -2.719) 3.523 8.271 ( 5.195 6.102 -1.135) 8.094 8.424 ( -2.854 3.762 2.187) 5.204 8.916 ( 3.130 1.095 -0.031) 3.316 9.135 ( 0.935 -1.234 -3.194) 3.550 9.229 ( -7.147 -5.995 3.531) 9.974 9.280 ( -1.981 -4.802 2.922) 5.960 9.614 ( 3.335 7.013 0.104) 7.766 9.795 ( -4.875 6.508 -1.467) 8.263 9.942 ( -0.158 -7.117 -0.471) 7.135 10.036 ( -5.121 -4.778 -1.027) 7.079 11.615 ( 7.351 4.550 0.033) 8.645 11.777 ( -1.013 -0.716 -0.111) 1.245 11.824 ( 6.431 -1.933 -0.027) 6.716 11.873 ( 1.477 -1.198 2.853) 3.429 14.809 ( 2.340 9.490 3.042) 10.237 14.881 ( -3.486 4.172 4.905) 7.322 14.958 ( -7.029 6.652 11.686) 15.173 15.018 ( -0.959 3.322 -0.755) 3.540 15.158 ( 3.048 1.923 -4.040) 5.414 15.272 ( 4.591 -1.896 -11.904) 12.899 15.486 ( 6.041 -1.817 -2.794) 6.900 15.620 ( -2.392 -6.792 0.892) 7.256 18.406 ( -0.617 1.796 0.104) 1.902 18.472 ( -4.083 -1.295 1.026) 4.404 18.933 ( 2.332 0.721 -0.521) 2.496 18.964 ( 0.170 -0.130 -0.093) 0.233 ======================= Grid point 321 (154/160) ======================= q-point: (-0.50 0.38 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -3.486 -1.786 -1.743) 4.287 1.780 ( 3.486 -1.786 1.743) 4.287 1.946 ( -0.606 -3.477 -2.759) 4.480 1.946 ( 0.606 -3.477 2.759) 4.480 2.506 ( 1.468 2.782 -3.687) 4.846 2.506 ( -1.468 2.782 3.687) 4.846 2.656 ( 2.102 3.872 -4.487) 6.288 2.656 ( -2.102 3.872 4.487) 6.288 2.826 ( -3.985 -1.168 -5.189) 6.646 2.826 ( 3.985 -1.168 5.189) 6.646 2.974 ( -1.584 2.062 -5.422) 6.014 2.974 ( 1.584 2.062 5.422) 6.014 3.261 ( -6.972 -9.282 -2.408) 11.856 3.261 ( 6.972 -9.282 2.408) 11.856 3.571 ( -0.697 -5.384 -0.189) 5.432 3.571 ( 0.697 -5.384 0.189) 5.432 4.280 ( -12.574 0.664 -1.422) 12.672 4.280 ( 12.574 0.664 1.422) 12.672 4.487 ( 3.325 3.832 -3.600) 6.221 4.487 ( -3.325 3.832 3.600) 6.221 4.754 ( -10.664 0.986 -1.969) 10.889 4.754 ( 10.664 0.986 1.969) 10.889 4.963 ( -3.312 -2.825 -9.345) 10.309 4.963 ( 3.312 -2.825 9.345) 10.309 5.576 ( -2.044 1.018 -4.327) 4.893 5.576 ( 2.044 1.018 4.327) 4.893 5.678 ( 0.124 -1.394 -2.149) 2.565 5.678 ( -0.124 -1.394 2.149) 2.565 6.882 ( -1.519 2.341 -3.413) 4.409 6.882 ( 1.519 2.341 3.413) 4.409 7.203 ( -1.007 5.821 -1.387) 6.068 7.203 ( 1.007 5.821 1.387) 6.068 7.624 ( 0.610 -1.001 -3.406) 3.603 7.624 ( -0.610 -1.001 3.406) 3.603 8.362 ( 0.006 7.334 -3.139) 7.978 8.362 ( -0.006 7.334 3.139) 7.978 9.018 ( -5.931 -4.699 -1.921) 7.807 9.018 ( 5.931 -4.699 1.921) 7.807 9.255 ( -2.394 -2.408 -0.319) 3.411 9.255 ( 2.394 -2.408 0.319) 3.411 9.694 ( -4.801 6.368 -1.333) 8.086 9.694 ( 4.801 6.368 1.333) 8.086 9.959 ( -0.677 -5.625 -1.670) 5.906 9.959 ( 0.677 -5.625 1.670) 5.906 11.723 ( -1.741 2.223 -2.723) 3.922 11.723 ( 1.741 2.223 2.723) 3.922 11.891 ( 2.024 -1.875 -2.440) 3.683 11.891 ( -2.024 -1.875 2.440) 3.683 14.846 ( 3.742 8.938 -1.721) 9.841 14.846 ( -3.742 8.938 1.721) 9.841 14.999 ( 2.802 3.891 -11.555) 12.510 14.999 ( -2.802 3.891 11.555) 12.510 15.195 ( 1.979 1.550 -10.434) 10.732 15.195 ( -1.979 1.550 10.434) 10.732 15.574 ( -0.502 -5.443 -0.944) 5.547 15.574 ( 0.502 -5.443 0.944) 5.547 18.418 ( 0.368 -0.363 -1.483) 1.570 18.418 ( -0.368 -0.363 1.483) 1.570 18.959 ( -1.011 0.617 0.161) 1.196 18.959 ( 1.011 0.617 -0.161) 1.196 ======================= Grid point 327 (155/160) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.000 -0.000 -0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 2.112 ( -0.000 0.000 0.000) 0.000 2.112 ( -0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.642 ( -0.000 -0.000 -0.000) 0.000 2.642 ( -0.000 0.000 -0.000) 0.000 2.678 ( -0.000 -0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 3.203 ( -0.000 0.000 -0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 4.115 ( -0.000 -0.000 0.000) 0.000 4.115 ( -0.000 -0.000 0.000) 0.000 4.129 ( 0.000 0.000 -0.000) 0.000 4.129 ( -0.000 0.000 -0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 4.629 ( -0.000 0.000 -0.000) 0.000 4.629 ( 0.000 -0.000 0.000) 0.000 4.640 ( -0.000 -0.000 -0.000) 0.000 4.640 ( 0.000 0.000 0.000) 0.000 5.090 ( -0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.173 ( -0.000 0.000 0.000) 0.000 5.173 ( -0.000 0.000 0.000) 0.000 6.132 ( -0.000 0.000 0.000) 0.000 6.132 ( -0.000 0.000 0.000) 0.000 6.154 ( 0.000 -0.000 0.000) 0.000 6.154 ( 0.000 0.000 -0.000) 0.000 7.159 ( -0.000 0.000 0.000) 0.000 7.159 ( -0.000 0.000 0.000) 0.000 7.381 ( -0.000 0.000 0.000) 0.000 7.381 ( -0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.210 ( -0.000 0.000 0.000) 0.000 9.338 ( 0.000 -0.000 0.000) 0.000 9.338 ( 0.000 0.000 0.000) 0.000 9.767 ( 0.000 0.000 0.000) 0.000 9.767 ( -0.000 0.000 0.000) 0.000 10.103 ( -0.000 0.000 0.000) 0.000 10.103 ( -0.000 0.000 0.000) 0.000 11.468 ( 0.000 0.000 -0.000) 0.000 11.468 ( 0.000 0.000 -0.000) 0.000 11.497 ( -0.000 0.000 0.000) 0.000 11.497 ( -0.000 0.000 0.000) 0.000 14.355 ( -0.000 0.000 0.000) 0.000 14.355 ( 0.000 0.000 0.000) 0.000 14.596 ( -0.000 0.000 0.000) 0.000 14.596 ( 0.000 0.000 0.000) 0.000 15.452 ( 0.000 0.000 0.000) 0.000 15.452 ( -0.000 0.000 0.000) 0.000 16.144 ( 0.000 0.000 0.000) 0.000 16.144 ( -0.000 0.000 0.000) 0.000 18.275 ( -0.000 0.000 0.000) 0.000 18.275 ( 0.000 0.000 0.000) 0.000 19.010 ( 0.000 0.000 0.000) 0.000 19.010 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 331 (156/160) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 7.397 -4.824 3.941) 9.671 1.949 ( 7.397 4.824 3.941) 9.671 2.140 ( -0.578 -0.749 5.591) 5.670 2.140 ( -0.578 0.749 5.591) 5.670 2.350 ( -2.479 -4.948 0.124) 5.536 2.350 ( -2.479 4.948 0.124) 5.536 2.500 ( -5.646 -6.040 -5.670) 10.026 2.500 ( -5.646 6.040 -5.670) 10.026 2.787 ( 3.395 -7.832 1.813) 8.727 2.787 ( 3.395 7.832 1.813) 8.727 3.154 ( -2.544 -1.585 -2.867) 4.148 3.154 ( -2.544 1.585 -2.867) 4.148 3.912 ( -13.259 -4.271 -5.279) 14.897 3.912 ( -13.259 4.271 -5.279) 14.897 4.039 ( -4.250 -0.851 -8.190) 9.266 4.039 ( -4.250 0.851 -8.190) 9.266 4.364 ( -11.234 -11.165 1.575) 15.916 4.364 ( -11.234 11.165 1.575) 15.916 4.563 ( 7.371 -6.333 -7.564) 12.314 4.563 ( 7.371 6.333 -7.564) 12.314 4.952 ( 6.675 -5.059 5.473) 10.005 4.952 ( 6.675 5.059 5.473) 10.005 5.083 ( -1.800 -3.770 -1.376) 4.398 5.083 ( -1.800 3.770 -1.376) 4.398 5.232 ( 5.405 -8.726 7.652) 12.803 5.232 ( 5.405 8.726 7.652) 12.803 5.892 ( -13.445 -7.816 2.588) 15.765 5.892 ( -13.445 7.816 2.588) 15.765 6.409 ( 17.122 -4.595 -3.453) 18.061 6.409 ( 17.122 4.595 -3.453) 18.061 7.149 ( -0.565 -3.327 0.177) 3.379 7.149 ( -0.565 3.327 0.177) 3.379 7.441 ( 4.279 -4.884 2.608) 6.997 7.441 ( 4.279 4.884 2.608) 6.997 8.488 ( -2.340 -4.562 -5.993) 7.887 8.488 ( -2.340 4.562 -5.993) 7.887 9.180 ( -0.987 -4.795 -2.171) 5.356 9.180 ( -0.987 4.795 -2.171) 5.356 9.332 ( -5.783 -10.809 6.070) 13.680 9.332 ( -5.783 10.809 6.070) 13.680 9.787 ( 2.238 -3.776 -0.845) 4.470 9.787 ( 2.238 3.776 -0.845) 4.470 10.088 ( -3.082 -2.733 2.355) 4.745 10.088 ( -3.082 2.733 2.355) 4.745 11.456 ( 5.918 -0.610 -7.571) 9.629 11.456 ( 5.918 0.610 -7.571) 9.629 11.558 ( 1.027 -1.245 6.069) 6.280 11.558 ( 1.027 1.245 6.069) 6.280 14.429 ( 5.372 -3.540 4.070) 7.613 14.429 ( 5.372 3.540 4.070) 7.613 14.649 ( 4.831 -4.983 2.267) 7.301 14.649 ( 4.831 4.983 2.267) 7.301 15.427 ( -0.548 -4.315 -3.828) 5.794 15.427 ( -0.548 4.315 -3.828) 5.794 16.043 ( -9.883 -5.150 -1.656) 11.267 16.043 ( -9.883 5.150 -1.656) 11.267 18.325 ( 3.830 -1.547 2.236) 4.697 18.325 ( 3.830 1.547 2.236) 4.697 18.994 ( -1.058 -1.026 -1.089) 1.832 18.994 ( -1.058 1.026 -1.089) 1.832 ======================= Grid point 333 (157/160) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 3.807 -4.307 -7.620) 9.545 2.065 ( 3.807 4.307 -7.620) 9.545 2.197 ( -3.765 -4.607 10.527) 12.092 2.197 ( -3.765 4.607 10.527) 12.092 2.328 ( -4.513 -2.400 -5.095) 7.217 2.328 ( -4.513 2.400 -5.095) 7.217 2.385 ( 2.511 -8.430 6.623) 11.011 2.385 ( 2.511 8.430 6.623) 11.011 2.781 ( -1.873 -6.002 -3.170) 7.041 2.781 ( -1.873 6.002 -3.170) 7.041 3.136 ( 1.531 -3.868 2.876) 5.057 3.136 ( 1.531 3.868 2.876) 5.057 3.669 ( -9.288 -5.663 -4.422) 11.743 3.669 ( -9.288 5.663 -4.422) 11.743 3.820 ( -8.785 -4.595 -9.298) 13.592 3.820 ( -8.785 4.595 -9.298) 13.592 4.236 ( -7.849 -10.549 3.615) 13.637 4.236 ( -7.849 10.549 3.615) 13.637 4.585 ( 6.291 -2.144 -8.223) 10.573 4.585 ( 6.291 2.144 -8.223) 10.573 4.857 ( -10.773 -5.507 -1.734) 12.222 4.857 ( -10.773 5.507 -1.734) 12.222 5.146 ( 3.814 -4.932 0.795) 6.285 5.146 ( 3.814 4.932 0.795) 6.285 5.398 ( 3.692 -6.349 3.059) 7.956 5.398 ( 3.692 6.349 3.059) 7.956 5.790 ( -4.221 -4.295 4.226) 7.357 5.790 ( -4.221 4.295 4.226) 7.357 6.639 ( 14.099 -1.636 -2.222) 14.367 6.639 ( 14.099 1.636 -2.222) 14.367 7.160 ( 1.199 -2.705 0.778) 3.059 7.160 ( 1.199 2.705 0.778) 3.059 7.549 ( 4.458 -5.094 1.969) 7.050 7.549 ( 4.458 5.094 1.969) 7.050 8.373 ( -1.572 -5.421 -6.086) 8.301 8.373 ( -1.572 5.421 -6.086) 8.301 9.149 ( -0.270 -4.038 -1.004) 4.170 9.149 ( -0.270 4.038 -1.004) 4.170 9.271 ( -8.927 -12.250 4.971) 15.952 9.271 ( -8.927 12.250 4.971) 15.952 9.795 ( -0.040 -7.748 -1.206) 7.841 9.795 ( -0.040 7.748 -1.206) 7.841 10.063 ( -3.526 -5.784 2.673) 7.282 10.063 ( -3.526 5.784 2.673) 7.282 11.504 ( 8.632 -2.684 -5.427) 10.543 11.504 ( 8.632 2.684 -5.427) 10.543 11.658 ( 3.035 -0.742 4.837) 5.758 11.658 ( 3.035 0.742 4.837) 5.758 14.598 ( 6.052 -5.078 7.153) 10.657 14.598 ( 6.052 5.078 7.153) 10.657 14.810 ( 9.802 -8.766 3.651) 13.647 14.810 ( 9.802 8.766 3.651) 13.647 15.339 ( -2.299 -7.603 -7.238) 10.746 15.339 ( -2.299 7.603 -7.238) 10.746 15.821 ( -12.222 -6.968 -2.342) 14.262 15.821 ( -12.222 6.968 -2.342) 14.262 18.423 ( 3.117 -1.799 2.975) 4.669 18.423 ( 3.117 1.799 2.975) 4.669 18.957 ( -1.084 -1.814 -1.732) 2.732 18.957 ( -1.084 1.814 -1.732) 2.732 ======================= Grid point 335 (158/160) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -1.224 -3.642 -9.655) 10.392 1.950 ( -1.224 3.642 -9.655) 10.392 2.134 ( -7.899 -5.319 -6.060) 11.288 2.134 ( -7.899 5.319 -6.060) 11.288 2.317 ( 0.683 -1.549 11.046) 11.175 2.317 ( 0.683 1.549 11.046) 11.175 2.530 ( 5.241 -3.043 -0.462) 6.077 2.530 ( 5.241 3.043 -0.462) 6.077 2.765 ( 1.802 -6.582 3.801) 7.811 2.765 ( 1.802 6.582 3.801) 7.811 3.202 ( -3.415 -5.649 4.906) 8.225 3.202 ( -3.415 5.649 4.906) 8.225 3.489 ( -3.689 -3.113 -4.660) 6.710 3.489 ( -3.689 3.113 -4.660) 6.710 3.553 ( -12.160 -8.526 -5.713) 15.912 3.553 ( -12.160 8.526 -5.713) 15.912 4.172 ( -3.560 -6.465 3.386) 8.120 4.172 ( -3.560 6.465 3.386) 8.120 4.598 ( 2.484 -5.810 -5.253) 8.216 4.598 ( 2.484 5.810 -5.253) 8.216 4.696 ( -4.215 -9.155 0.429) 10.088 4.696 ( -4.215 9.155 0.429) 10.088 5.161 ( 0.168 -6.167 -4.792) 7.812 5.161 ( 0.168 6.167 -4.792) 7.812 5.461 ( 1.542 -3.754 2.587) 4.813 5.461 ( 1.542 3.754 2.587) 4.813 5.771 ( -2.243 -2.351 -0.116) 3.251 5.771 ( -2.243 2.351 -0.116) 3.251 6.819 ( 8.330 -3.246 -0.251) 8.944 6.819 ( 8.330 3.246 -0.251) 8.944 7.196 ( 2.032 -1.427 0.429) 2.519 7.196 ( 2.032 1.427 0.429) 2.519 7.614 ( 2.236 -3.917 -0.729) 4.568 7.614 ( 2.236 3.917 -0.729) 4.568 8.333 ( 2.840 -5.749 -1.916) 6.692 8.333 ( 2.840 5.749 -1.916) 6.692 9.129 ( -3.550 -6.510 -1.424) 7.551 9.129 ( -3.550 6.510 -1.424) 7.551 9.183 ( -4.901 -2.009 4.810) 7.155 9.183 ( -4.901 2.009 4.810) 7.155 9.773 ( -0.627 -9.686 -0.720) 9.733 9.773 ( -0.627 9.686 -0.720) 9.733 10.017 ( -4.271 -6.366 0.254) 7.670 10.017 ( -4.271 6.366 0.254) 7.670 11.607 ( 8.343 -4.981 -2.289) 9.983 11.607 ( 8.343 4.981 -2.289) 9.983 11.763 ( 3.344 -1.195 3.465) 4.961 11.763 ( 3.344 1.195 3.465) 4.961 14.780 ( 4.243 -5.100 8.663) 10.911 14.780 ( 4.243 5.100 8.663) 10.911 15.018 ( 6.865 -8.318 3.660) 11.389 15.018 ( 6.865 8.318 3.660) 11.389 15.205 ( -0.354 -7.107 -8.369) 10.985 15.205 ( -0.354 7.107 -8.369) 10.985 15.617 ( -7.708 -6.056 -2.912) 10.226 15.617 ( -7.708 6.056 -2.912) 10.226 18.471 ( -1.135 -2.106 1.765) 2.973 18.471 ( -1.135 2.106 1.765) 2.973 18.934 ( 0.792 -1.819 -1.148) 2.292 18.934 ( 0.792 1.819 -1.148) 2.292 ======================= Grid point 337 (159/160) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -1.796 -2.611 -7.287) 7.947 1.828 ( -1.796 2.611 -7.287) 7.947 1.961 ( -5.243 -3.466 -2.439) 6.742 1.961 ( -5.243 3.466 -2.439) 6.742 2.464 ( 2.909 -0.239 7.290) 7.853 2.464 ( 2.909 0.239 7.290) 7.853 2.588 ( 7.537 -2.113 -3.815) 8.708 2.588 ( 7.537 2.113 -3.815) 8.708 2.874 ( 1.999 -6.667 4.541) 8.311 2.874 ( 1.999 6.667 4.541) 8.311 3.062 ( -12.228 -2.414 0.214) 12.466 3.062 ( -12.228 2.414 0.214) 12.466 3.290 ( -10.700 -7.335 -3.988) 13.572 3.290 ( -10.700 7.335 -3.988) 13.572 3.485 ( 2.506 -1.240 0.065) 2.797 3.485 ( 2.506 1.240 0.065) 2.797 4.225 ( 0.767 -7.762 6.828) 10.366 4.225 ( 0.767 7.762 6.828) 10.366 4.530 ( 0.441 -4.588 -3.101) 5.555 4.530 ( 0.441 4.588 -3.101) 5.555 4.737 ( 2.202 -8.776 2.493) 9.385 4.737 ( 2.202 8.776 2.493) 9.385 5.040 ( -3.831 -6.338 -9.241) 11.842 5.040 ( -3.831 6.338 -9.241) 11.842 5.527 ( 1.573 -2.833 3.875) 5.051 5.527 ( 1.573 2.833 3.875) 5.051 5.716 ( -1.774 -1.132 -2.748) 3.462 5.716 ( -1.774 1.132 -2.748) 3.462 6.899 ( 2.001 -2.463 -0.386) 3.197 6.899 ( 2.001 2.463 -0.386) 3.197 7.238 ( 2.156 -1.699 0.496) 2.789 7.238 ( 2.156 1.699 0.496) 2.789 7.619 ( 0.559 -1.676 -1.577) 2.368 7.619 ( 0.559 1.676 -1.577) 2.368 8.400 ( 4.700 -5.186 0.427) 7.012 8.400 ( 4.700 5.186 0.427) 7.012 9.018 ( -6.223 -7.663 -0.054) 9.872 9.018 ( -6.223 7.663 -0.054) 9.872 9.208 ( 0.572 -2.195 2.506) 3.381 9.208 ( 0.572 2.195 2.506) 3.381 9.772 ( 1.187 -8.078 0.166) 8.166 9.772 ( 1.187 8.078 0.166) 8.166 9.929 ( -4.714 -5.634 -1.579) 7.514 9.929 ( -4.714 5.634 -1.579) 7.514 11.710 ( 5.246 -4.534 -0.465) 6.949 11.710 ( 5.246 4.534 -0.465) 6.949 11.839 ( 1.824 -1.852 1.834) 3.182 11.839 ( 1.824 1.852 1.834) 3.182 14.915 ( 0.687 -2.203 4.412) 4.979 14.915 ( 0.687 2.203 4.412) 4.979 15.039 ( -2.550 -2.162 3.453) 4.807 15.039 ( -2.550 2.162 3.453) 4.807 15.211 ( 5.248 -3.604 -5.990) 8.741 15.211 ( 5.248 3.604 -5.990) 8.741 15.517 ( -0.624 -3.779 -1.287) 4.040 15.517 ( -0.624 3.779 -1.287) 4.040 18.441 ( -2.832 -1.633 0.273) 3.281 18.441 ( -2.832 1.633 0.273) 3.281 18.951 ( 1.524 -0.967 -0.184) 1.814 18.951 ( 1.524 0.967 -0.184) 1.814 ======================= Grid point 339 (160/160) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.32e-04 2.32e-04 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 0.000 -0.000) 0.000 1.758 ( 0.000 0.000 -0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 -0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 -0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 3.004 ( -0.000 0.000 -0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 -0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.511 ( -0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 -0.000) 0.000 4.265 ( -0.000 0.000 0.000) 0.000 4.571 ( -0.000 -0.000 -0.000) 0.000 4.571 ( 0.000 0.000 -0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 -0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 -0.000) 0.000 5.577 ( 0.000 0.000 -0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 -0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 -0.000) 0.000 7.263 ( 0.000 0.000 -0.000) 0.000 7.612 ( 0.000 0.000 -0.000) 0.000 7.612 ( 0.000 0.000 -0.000) 0.000 8.451 ( 0.000 0.000 -0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.958 ( 0.000 -0.000 -0.000) 0.000 8.958 ( 0.000 0.000 -0.000) 0.000 9.231 ( 0.000 0.000 -0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.806 ( -0.000 -0.000 -0.000) 0.000 9.806 ( 0.000 0.000 -0.000) 0.000 9.855 ( 0.000 -0.000 0.000) 0.000 9.855 ( -0.000 0.000 0.000) 0.000 11.754 ( 0.000 0.000 0.000) 0.000 11.754 ( 0.000 0.000 0.000) 0.000 11.865 ( 0.000 0.000 -0.000) 0.000 11.865 ( 0.000 0.000 -0.000) 0.000 14.920 ( 0.000 0.000 0.000) 0.000 14.920 ( 0.000 0.000 0.000) 0.000 15.080 ( 0.000 -0.000 -0.000) 0.000 15.080 ( 0.000 0.000 -0.000) 0.000 15.190 ( 0.000 0.000 -0.000) 0.000 15.190 ( 0.000 0.000 0.000) 0.000 15.522 ( 0.000 0.000 0.000) 0.000 15.522 ( 0.000 0.000 -0.000) 0.000 18.414 ( 0.000 0.000 0.000) 0.000 18.414 ( 0.000 0.000 0.000) 0.000 18.965 ( 0.000 0.000 0.000) 0.000 18.965 ( 0.000 0.000 0.000) 0.000 =================== 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 3/28800 10.0 1209.497 1135.827 1580.921 0.000 -93.892 0.000 3/28800 20.0 130.568 153.411 156.103 0.000 3.072 0.000 3/28800 30.0 46.336 53.154 53.816 0.000 2.571 0.000 3/28800 40.0 25.434 27.992 28.852 0.000 1.656 0.000 3/28800 50.0 17.027 18.262 18.997 0.000 1.154 0.000 3/28800 60.0 12.682 13.396 13.989 0.000 0.865 0.000 3/28800 70.0 10.078 10.544 11.025 0.000 0.683 0.000 3/28800 80.0 8.358 8.691 9.088 0.000 0.561 0.000 3/28800 90.0 7.145 7.397 7.731 0.000 0.474 0.000 3/28800 100.0 6.246 6.445 6.731 0.000 0.409 0.000 3/28800 110.0 5.554 5.716 5.965 0.000 0.359 0.000 3/28800 120.0 5.006 5.141 5.360 0.000 0.319 0.000 3/28800 130.0 4.560 4.674 4.870 0.000 0.287 0.000 3/28800 140.0 4.191 4.288 4.466 0.000 0.261 0.000 3/28800 150.0 3.880 3.964 4.126 0.000 0.239 0.000 3/28800 160.0 3.613 3.687 3.836 0.000 0.221 0.000 3/28800 170.0 3.383 3.447 3.586 0.000 0.205 0.000 3/28800 180.0 3.181 3.238 3.368 0.000 0.191 0.000 3/28800 190.0 3.003 3.054 3.176 0.000 0.179 0.000 3/28800 200.0 2.845 2.890 3.005 0.000 0.169 0.000 3/28800 210.0 2.703 2.744 2.852 0.000 0.160 0.000 3/28800 220.0 2.575 2.612 2.715 0.000 0.151 0.000 3/28800 230.0 2.459 2.492 2.591 0.000 0.144 0.000 3/28800 240.0 2.354 2.384 2.478 0.000 0.137 0.000 3/28800 250.0 2.257 2.284 2.374 0.000 0.131 0.000 3/28800 260.0 2.168 2.193 2.280 0.000 0.125 0.000 3/28800 270.0 2.086 2.109 2.192 0.000 0.120 0.000 3/28800 280.0 2.010 2.031 2.111 0.000 0.115 0.000 3/28800 290.0 1.939 1.959 2.036 0.000 0.111 0.000 3/28800 300.0 1.874 1.892 1.967 0.000 0.107 0.000 3/28800 310.0 1.813 1.829 1.902 0.000 0.103 0.000 3/28800 320.0 1.755 1.771 1.841 0.000 0.100 0.000 3/28800 330.0 1.701 1.716 1.784 0.000 0.096 0.000 3/28800 340.0 1.651 1.664 1.731 0.000 0.093 0.000 3/28800 350.0 1.603 1.616 1.680 0.000 0.091 0.000 3/28800 360.0 1.558 1.570 1.633 0.000 0.088 0.000 3/28800 370.0 1.516 1.527 1.588 0.000 0.085 0.000 3/28800 380.0 1.476 1.486 1.546 0.000 0.083 0.000 3/28800 390.0 1.438 1.448 1.505 0.000 0.081 0.000 3/28800 400.0 1.402 1.411 1.467 0.000 0.079 0.000 3/28800 410.0 1.367 1.376 1.431 0.000 0.077 0.000 3/28800 420.0 1.334 1.343 1.397 0.000 0.075 0.000 3/28800 430.0 1.303 1.311 1.364 0.000 0.073 0.000 3/28800 440.0 1.274 1.281 1.333 0.000 0.071 0.000 3/28800 450.0 1.245 1.252 1.303 0.000 0.069 0.000 3/28800 460.0 1.218 1.225 1.274 0.000 0.068 0.000 3/28800 470.0 1.192 1.199 1.247 0.000 0.066 0.000 3/28800 480.0 1.167 1.173 1.221 0.000 0.065 0.000 3/28800 490.0 1.143 1.149 1.196 0.000 0.064 0.000 3/28800 500.0 1.120 1.126 1.171 0.000 0.062 0.000 3/28800 510.0 1.098 1.104 1.148 0.000 0.061 0.000 3/28800 520.0 1.077 1.082 1.126 0.000 0.060 0.000 3/28800 530.0 1.057 1.062 1.105 0.000 0.059 0.000 3/28800 540.0 1.037 1.042 1.084 0.000 0.058 0.000 3/28800 550.0 1.018 1.023 1.064 0.000 0.056 0.000 3/28800 560.0 1.000 1.005 1.045 0.000 0.055 0.000 3/28800 570.0 0.982 0.987 1.027 0.000 0.054 0.000 3/28800 580.0 0.966 0.970 1.009 0.000 0.053 0.000 3/28800 590.0 0.949 0.953 0.992 0.000 0.053 0.000 3/28800 600.0 0.933 0.937 0.975 0.000 0.052 0.000 3/28800 610.0 0.918 0.922 0.959 0.000 0.051 0.000 3/28800 620.0 0.903 0.907 0.944 0.000 0.050 0.000 3/28800 630.0 0.889 0.892 0.929 0.000 0.049 0.000 3/28800 640.0 0.875 0.878 0.914 0.000 0.048 0.000 3/28800 650.0 0.861 0.865 0.900 0.000 0.048 0.000 3/28800 660.0 0.848 0.852 0.886 0.000 0.047 0.000 3/28800 670.0 0.836 0.839 0.873 0.000 0.046 0.000 3/28800 680.0 0.823 0.827 0.860 0.000 0.045 0.000 3/28800 690.0 0.812 0.815 0.848 0.000 0.045 0.000 3/28800 700.0 0.800 0.803 0.835 0.000 0.044 0.000 3/28800 710.0 0.789 0.792 0.824 0.000 0.043 0.000 3/28800 720.0 0.778 0.781 0.812 0.000 0.043 0.000 3/28800 730.0 0.767 0.770 0.801 0.000 0.042 0.000 3/28800 740.0 0.757 0.759 0.790 0.000 0.042 0.000 3/28800 750.0 0.747 0.749 0.780 0.000 0.041 0.000 3/28800 760.0 0.737 0.739 0.769 0.000 0.041 0.000 3/28800 770.0 0.727 0.730 0.759 0.000 0.040 0.000 3/28800 780.0 0.718 0.720 0.750 0.000 0.040 0.000 3/28800 790.0 0.709 0.711 0.740 0.000 0.039 0.000 3/28800 800.0 0.700 0.702 0.731 0.000 0.039 0.000 3/28800 810.0 0.691 0.694 0.722 0.000 0.038 0.000 3/28800 820.0 0.683 0.685 0.713 0.000 0.038 0.000 3/28800 830.0 0.675 0.677 0.704 0.000 0.037 0.000 3/28800 840.0 0.667 0.669 0.696 0.000 0.037 0.000 3/28800 850.0 0.659 0.661 0.688 0.000 0.036 0.000 3/28800 860.0 0.651 0.653 0.680 0.000 0.036 0.000 3/28800 870.0 0.644 0.646 0.672 0.000 0.035 0.000 3/28800 880.0 0.636 0.638 0.664 0.000 0.035 0.000 3/28800 890.0 0.629 0.631 0.657 0.000 0.035 0.000 3/28800 900.0 0.622 0.624 0.649 0.000 0.034 0.000 3/28800 910.0 0.615 0.617 0.642 0.000 0.034 0.000 3/28800 920.0 0.609 0.610 0.635 0.000 0.033 0.000 3/28800 930.0 0.602 0.604 0.629 0.000 0.033 0.000 3/28800 940.0 0.596 0.597 0.622 0.000 0.033 0.000 3/28800 950.0 0.589 0.591 0.615 0.000 0.032 0.000 3/28800 960.0 0.583 0.585 0.609 0.000 0.032 0.000 3/28800 970.0 0.577 0.579 0.603 0.000 0.032 0.000 3/28800 980.0 0.571 0.573 0.596 0.000 0.031 0.000 3/28800 990.0 0.566 0.567 0.590 0.000 0.031 0.000 3/28800 1000.0 0.560 0.562 0.584 0.000 0.031 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m1086.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:23:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|