----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:14:18]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.282015350000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.087128770000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.326430170000001 Atomic positions (fractional): *1 O 0.17377207629289 0.41434253780149 0.63400139396966 15.999 2 O 0.32622792370711 0.58565746219851 0.13400139396966 15.999 3 O 0.67377207629289 0.08565746219851 0.86599860603034 15.999 4 O 0.82622792370711 0.91434253780149 0.36599860603034 15.999 5 O 0.82622792370711 0.58565746219851 0.36599860603034 15.999 6 O 0.67377207629289 0.41434253780149 0.86599860603034 15.999 7 O 0.32622792370711 0.91434253780149 0.13400139396966 15.999 8 O 0.17377207629289 0.08565746219851 0.63400139396966 15.999 *9 O 0.09393682669481 0.25000000000000 0.20201636294766 15.999 10 O 0.40606317330519 0.75000000000000 0.70201636294766 15.999 11 O 0.59393682669481 0.25000000000000 0.29798363705234 15.999 12 O 0.90606317330519 0.75000000000000 0.79798363705234 15.999 *13 Se 0.97481487814809 0.75000000000000 0.48395844540734 78.960 14 Se 0.52518512185191 0.25000000000000 0.98395844540734 78.960 15 Se 0.47481487814809 0.75000000000000 0.01604155459266 78.960 16 Se 0.02518512185191 0.25000000000000 0.51604155459266 78.960 *17 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 18 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 19 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 20 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.282015350000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.087128770000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.326430170000001 Atomic positions (fractional): *1 O 0.17377207629289 0.41434253780149 0.63400139396966 15.999 > 1 2 O 0.32622792370711 0.58565746219851 0.13400139396966 15.999 > 2 3 O 0.67377207629289 0.08565746219851 0.86599860603034 15.999 > 3 4 O 0.82622792370711 0.91434253780149 0.36599860603034 15.999 > 4 5 O 0.82622792370711 0.58565746219851 0.36599860603034 15.999 > 5 6 O 0.67377207629289 0.41434253780149 0.86599860603034 15.999 > 6 7 O 0.32622792370711 0.91434253780149 0.13400139396966 15.999 > 7 8 O 0.17377207629289 0.08565746219851 0.63400139396966 15.999 > 8 *9 O 0.09393682669481 0.25000000000000 0.20201636294766 15.999 > 9 10 O 0.40606317330519 0.75000000000000 0.70201636294766 15.999 > 10 11 O 0.59393682669481 0.25000000000000 0.29798363705234 15.999 > 11 12 O 0.90606317330519 0.75000000000000 0.79798363705234 15.999 > 12 *13 Se 0.97481487814809 0.75000000000000 0.48395844540734 78.960 > 13 14 Se 0.52518512185191 0.25000000000000 0.98395844540734 78.960 > 14 15 Se 0.47481487814809 0.75000000000000 0.01604155459266 78.960 > 15 16 Se 0.02518512185191 0.25000000000000 0.51604155459266 78.960 > 16 *17 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 17 18 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 18 19 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 19 20 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.564030700000004 0.000000000000000 0.000000000000000 b 0.000000000000000 8.087128770000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.652860340000002 Atomic positions (fractional): *1 O 0.08688603814644 0.41434253780149 0.31700069698483 15.999 > 1 2 O 0.58688603814644 0.41434253780149 0.31700069698483 15.999 > 1 3 O 0.08688603814644 0.41434253780149 0.81700069698483 15.999 > 1 4 O 0.58688603814644 0.41434253780149 0.81700069698483 15.999 > 1 5 O 0.16311396185356 0.58565746219851 0.06700069698483 15.999 > 2 6 O 0.66311396185356 0.58565746219851 0.06700069698483 15.999 > 2 7 O 0.16311396185356 0.58565746219851 0.56700069698483 15.999 > 2 8 O 0.66311396185356 0.58565746219851 0.56700069698483 15.999 > 2 9 O 0.33688603814644 0.08565746219851 0.43299930301517 15.999 > 3 10 O 0.83688603814644 0.08565746219851 0.43299930301517 15.999 > 3 11 O 0.33688603814644 0.08565746219851 0.93299930301517 15.999 > 3 12 O 0.83688603814644 0.08565746219851 0.93299930301517 15.999 > 3 13 O 0.41311396185356 0.91434253780149 0.18299930301517 15.999 > 4 14 O 0.91311396185356 0.91434253780149 0.18299930301517 15.999 > 4 15 O 0.41311396185356 0.91434253780149 0.68299930301517 15.999 > 4 16 O 0.91311396185356 0.91434253780149 0.68299930301517 15.999 > 4 17 O 0.41311396185356 0.58565746219851 0.18299930301517 15.999 > 5 18 O 0.91311396185356 0.58565746219851 0.18299930301517 15.999 > 5 19 O 0.41311396185356 0.58565746219851 0.68299930301517 15.999 > 5 20 O 0.91311396185356 0.58565746219851 0.68299930301517 15.999 > 5 21 O 0.33688603814644 0.41434253780149 0.43299930301517 15.999 > 6 22 O 0.83688603814644 0.41434253780149 0.43299930301517 15.999 > 6 23 O 0.33688603814644 0.41434253780149 0.93299930301517 15.999 > 6 24 O 0.83688603814644 0.41434253780149 0.93299930301517 15.999 > 6 25 O 0.16311396185356 0.91434253780149 0.06700069698483 15.999 > 7 26 O 0.66311396185356 0.91434253780149 0.06700069698483 15.999 > 7 27 O 0.16311396185356 0.91434253780149 0.56700069698483 15.999 > 7 28 O 0.66311396185356 0.91434253780149 0.56700069698483 15.999 > 7 29 O 0.08688603814644 0.08565746219851 0.31700069698483 15.999 > 8 30 O 0.58688603814644 0.08565746219851 0.31700069698483 15.999 > 8 31 O 0.08688603814644 0.08565746219851 0.81700069698483 15.999 > 8 32 O 0.58688603814644 0.08565746219851 0.81700069698483 15.999 > 8 *33 O 0.04696841334741 0.25000000000000 0.10100818147383 15.999 > 9 34 O 0.54696841334741 0.25000000000000 0.10100818147383 15.999 > 9 35 O 0.04696841334741 0.25000000000000 0.60100818147383 15.999 > 9 36 O 0.54696841334741 0.25000000000000 0.60100818147383 15.999 > 9 37 O 0.20303158665259 0.75000000000000 0.35100818147383 15.999 > 10 38 O 0.70303158665259 0.75000000000000 0.35100818147383 15.999 > 10 39 O 0.20303158665259 0.75000000000000 0.85100818147383 15.999 > 10 40 O 0.70303158665259 0.75000000000000 0.85100818147383 15.999 > 10 41 O 0.29696841334741 0.25000000000000 0.14899181852617 15.999 > 11 42 O 0.79696841334741 0.25000000000000 0.14899181852617 15.999 > 11 43 O 0.29696841334741 0.25000000000000 0.64899181852617 15.999 > 11 44 O 0.79696841334741 0.25000000000000 0.64899181852617 15.999 > 11 45 O 0.45303158665259 0.75000000000000 0.39899181852617 15.999 > 12 46 O 0.95303158665259 0.75000000000000 0.39899181852617 15.999 > 12 47 O 0.45303158665259 0.75000000000000 0.89899181852617 15.999 > 12 48 O 0.95303158665259 0.75000000000000 0.89899181852617 15.999 > 12 *49 Se 0.48740743907404 0.75000000000000 0.24197922270367 78.960 > 13 50 Se 0.98740743907404 0.75000000000000 0.24197922270367 78.960 > 13 51 Se 0.48740743907404 0.75000000000000 0.74197922270367 78.960 > 13 52 Se 0.98740743907404 0.75000000000000 0.74197922270367 78.960 > 13 53 Se 0.26259256092596 0.25000000000000 0.49197922270367 78.960 > 14 54 Se 0.76259256092596 0.25000000000000 0.49197922270367 78.960 > 14 55 Se 0.26259256092596 0.25000000000000 0.99197922270367 78.960 > 14 56 Se 0.76259256092596 0.25000000000000 0.99197922270367 78.960 > 14 57 Se 0.23740743907404 0.75000000000000 0.00802077729633 78.960 > 15 58 Se 0.73740743907404 0.75000000000000 0.00802077729633 78.960 > 15 59 Se 0.23740743907404 0.75000000000000 0.50802077729633 78.960 > 15 60 Se 0.73740743907404 0.75000000000000 0.50802077729633 78.960 > 15 61 Se 0.01259256092596 0.25000000000000 0.25802077729633 78.960 > 16 62 Se 0.51259256092596 0.25000000000000 0.25802077729633 78.960 > 16 63 Se 0.01259256092596 0.25000000000000 0.75802077729633 78.960 > 16 64 Se 0.51259256092596 0.25000000000000 0.75802077729633 78.960 > 16 *65 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 17 66 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 17 67 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 17 68 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 17 69 Cd 0.25000000000000 0.50000000000000 0.25000000000000 112.411 > 18 70 Cd 0.75000000000000 0.50000000000000 0.25000000000000 112.411 > 18 71 Cd 0.25000000000000 0.50000000000000 0.75000000000000 112.411 > 18 72 Cd 0.75000000000000 0.50000000000000 0.75000000000000 112.411 > 18 73 Cd 0.25000000000000 0.00000000000000 0.25000000000000 112.411 > 19 74 Cd 0.75000000000000 0.00000000000000 0.25000000000000 112.411 > 19 75 Cd 0.25000000000000 0.00000000000000 0.75000000000000 112.411 > 19 76 Cd 0.75000000000000 0.00000000000000 0.75000000000000 112.411 > 19 77 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 20 78 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 20 79 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 20 80 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9997450 0.0000000 0.0000000 0.0000000 4.5399731 0.0000000 0.0000000 0.0000000 4.5179915 -------------------------- Born effective charges -------------------------- 1 O -1.6453672 -0.2348170 -0.0155335 -0.8672667 -2.2722719 -0.4954580 -0.3270992 -0.6049212 -1.5930480 2 O -1.6453672 -0.2348170 0.0155335 -0.8672667 -2.2722719 0.4954580 0.3270992 0.6049212 -1.5930480 3 O -1.6453672 0.2348170 0.0155335 0.8672667 -2.2722719 -0.4954580 0.3270992 -0.6049212 -1.5930480 4 O -1.6453672 0.2348170 -0.0155335 0.8672667 -2.2722719 0.4954580 -0.3270992 0.6049212 -1.5930480 5 O -1.6453672 -0.2348170 -0.0155335 -0.8672667 -2.2722719 -0.4954580 -0.3270992 -0.6049212 -1.5930480 6 O -1.6453672 -0.2348170 0.0155335 -0.8672667 -2.2722719 0.4954580 0.3270992 0.6049212 -1.5930480 7 O -1.6453672 0.2348170 0.0155335 0.8672667 -2.2722719 -0.4954580 0.3270992 -0.6049212 -1.5930480 8 O -1.6453672 0.2348170 -0.0155335 0.8672667 -2.2722719 0.4954580 -0.3270992 0.6049212 -1.5930480 9 O -1.0429060 0.0000000 -0.2191653 0.0000000 -1.5200098 0.0000000 0.4730923 0.0000000 -2.8777672 10 O -1.0429060 0.0000000 0.2191653 0.0000000 -1.5200098 0.0000000 -0.4730923 0.0000000 -2.8777672 11 O -1.0429060 0.0000000 0.2191653 0.0000000 -1.5200098 0.0000000 -0.4730923 0.0000000 -2.8777672 12 O -1.0429060 0.0000000 -0.2191653 0.0000000 -1.5200098 0.0000000 0.4730923 0.0000000 -2.8777672 13 Se 1.7516121 0.0000000 0.5427983 0.0000000 3.4774785 0.0000000 0.4943500 0.0000000 3.3004924 14 Se 1.7516121 0.0000000 -0.5427983 0.0000000 3.4774785 0.0000000 -0.4943500 0.0000000 3.3004924 15 Se 1.7516121 0.0000000 -0.5427983 0.0000000 3.4774785 0.0000000 -0.4943500 0.0000000 3.3004924 16 Se 1.7516121 0.0000000 0.5427983 0.0000000 3.4774785 0.0000000 0.4943500 0.0000000 3.3004924 17 Cd 2.5820283 -0.1296612 0.0540141 0.1325494 2.5870751 0.2849880 -0.1398922 -0.3232065 2.7633708 18 Cd 2.5820283 -0.1296612 -0.0540141 0.1325494 2.5870751 -0.2849880 0.1398922 0.3232065 2.7633708 19 Cd 2.5820283 0.1296612 -0.0540141 -0.1325494 2.5870751 0.2849880 0.1398922 -0.3232065 2.7633708 20 Cd 2.5820283 0.1296612 0.0540141 -0.1325494 2.5870751 -0.2849880 -0.1398922 0.3232065 2.7633708 ---------------------------------------------------------------------------- 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: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.748 Solver_block: 200 / 320 - Time: 0.745 Solver_block: 300 / 320 - Time: 0.744 Solver_block: 320 / 320 - Time: 0.188 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.439 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 994 Number of blocks in projector: 994 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), 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 2026-01-07 23:14:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:14:31]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.282015350000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.087128770000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.326430170000001 Atomic positions (fractional): 1 O 0.17377207629289 0.41434253780149 0.63400139396966 15.999 2 O 0.32622792370711 0.58565746219851 0.13400139396966 15.999 3 O 0.67377207629289 0.08565746219851 0.86599860603034 15.999 4 O 0.82622792370711 0.91434253780149 0.36599860603034 15.999 5 O 0.82622792370711 0.58565746219851 0.36599860603034 15.999 6 O 0.67377207629289 0.41434253780149 0.86599860603034 15.999 7 O 0.32622792370711 0.91434253780149 0.13400139396966 15.999 8 O 0.17377207629289 0.08565746219851 0.63400139396966 15.999 9 O 0.09393682669481 0.25000000000000 0.20201636294766 15.999 10 O 0.40606317330519 0.75000000000000 0.70201636294766 15.999 11 O 0.59393682669481 0.25000000000000 0.29798363705234 15.999 12 O 0.90606317330519 0.75000000000000 0.79798363705234 15.999 13 Se 0.97481487814809 0.75000000000000 0.48395844540734 78.960 14 Se 0.52518512185191 0.25000000000000 0.98395844540734 78.960 15 Se 0.47481487814809 0.75000000000000 0.01604155459266 78.960 16 Se 0.02518512185191 0.25000000000000 0.51604155459266 78.960 17 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 18 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 19 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 20 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.564030700000004 0.000000000000000 0.000000000000000 b 0.000000000000000 8.087128770000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.652860340000002 Atomic positions (fractional): 1 O 0.08688603814644 0.41434253780149 0.31700069698483 15.999 > 1 2 O 0.58688603814644 0.41434253780149 0.31700069698483 15.999 > 1 3 O 0.08688603814644 0.41434253780149 0.81700069698483 15.999 > 1 4 O 0.58688603814644 0.41434253780149 0.81700069698483 15.999 > 1 5 O 0.16311396185356 0.58565746219851 0.06700069698483 15.999 > 5 6 O 0.66311396185356 0.58565746219851 0.06700069698483 15.999 > 5 7 O 0.16311396185356 0.58565746219851 0.56700069698483 15.999 > 5 8 O 0.66311396185356 0.58565746219851 0.56700069698483 15.999 > 5 9 O 0.33688603814644 0.08565746219851 0.43299930301517 15.999 > 9 10 O 0.83688603814644 0.08565746219851 0.43299930301517 15.999 > 9 11 O 0.33688603814644 0.08565746219851 0.93299930301517 15.999 > 9 12 O 0.83688603814644 0.08565746219851 0.93299930301517 15.999 > 9 13 O 0.41311396185356 0.91434253780149 0.18299930301517 15.999 > 13 14 O 0.91311396185356 0.91434253780149 0.18299930301517 15.999 > 13 15 O 0.41311396185356 0.91434253780149 0.68299930301517 15.999 > 13 16 O 0.91311396185356 0.91434253780149 0.68299930301517 15.999 > 13 17 O 0.41311396185356 0.58565746219851 0.18299930301517 15.999 > 17 18 O 0.91311396185356 0.58565746219851 0.18299930301517 15.999 > 17 19 O 0.41311396185356 0.58565746219851 0.68299930301517 15.999 > 17 20 O 0.91311396185356 0.58565746219851 0.68299930301517 15.999 > 17 21 O 0.33688603814644 0.41434253780149 0.43299930301517 15.999 > 21 22 O 0.83688603814644 0.41434253780149 0.43299930301517 15.999 > 21 23 O 0.33688603814644 0.41434253780149 0.93299930301517 15.999 > 21 24 O 0.83688603814644 0.41434253780149 0.93299930301517 15.999 > 21 25 O 0.16311396185356 0.91434253780149 0.06700069698483 15.999 > 25 26 O 0.66311396185356 0.91434253780149 0.06700069698483 15.999 > 25 27 O 0.16311396185356 0.91434253780149 0.56700069698483 15.999 > 25 28 O 0.66311396185356 0.91434253780149 0.56700069698483 15.999 > 25 29 O 0.08688603814644 0.08565746219851 0.31700069698483 15.999 > 29 30 O 0.58688603814644 0.08565746219851 0.31700069698483 15.999 > 29 31 O 0.08688603814644 0.08565746219851 0.81700069698483 15.999 > 29 32 O 0.58688603814644 0.08565746219851 0.81700069698483 15.999 > 29 33 O 0.04696841334741 0.25000000000000 0.10100818147383 15.999 > 33 34 O 0.54696841334741 0.25000000000000 0.10100818147383 15.999 > 33 35 O 0.04696841334741 0.25000000000000 0.60100818147383 15.999 > 33 36 O 0.54696841334741 0.25000000000000 0.60100818147383 15.999 > 33 37 O 0.20303158665259 0.75000000000000 0.35100818147383 15.999 > 37 38 O 0.70303158665259 0.75000000000000 0.35100818147383 15.999 > 37 39 O 0.20303158665259 0.75000000000000 0.85100818147383 15.999 > 37 40 O 0.70303158665259 0.75000000000000 0.85100818147383 15.999 > 37 41 O 0.29696841334741 0.25000000000000 0.14899181852617 15.999 > 41 42 O 0.79696841334741 0.25000000000000 0.14899181852617 15.999 > 41 43 O 0.29696841334741 0.25000000000000 0.64899181852617 15.999 > 41 44 O 0.79696841334741 0.25000000000000 0.64899181852617 15.999 > 41 45 O 0.45303158665259 0.75000000000000 0.39899181852617 15.999 > 45 46 O 0.95303158665259 0.75000000000000 0.39899181852617 15.999 > 45 47 O 0.45303158665259 0.75000000000000 0.89899181852617 15.999 > 45 48 O 0.95303158665259 0.75000000000000 0.89899181852617 15.999 > 45 49 Se 0.48740743907404 0.75000000000000 0.24197922270367 78.960 > 49 50 Se 0.98740743907404 0.75000000000000 0.24197922270367 78.960 > 49 51 Se 0.48740743907404 0.75000000000000 0.74197922270367 78.960 > 49 52 Se 0.98740743907404 0.75000000000000 0.74197922270367 78.960 > 49 53 Se 0.26259256092596 0.25000000000000 0.49197922270367 78.960 > 53 54 Se 0.76259256092596 0.25000000000000 0.49197922270367 78.960 > 53 55 Se 0.26259256092596 0.25000000000000 0.99197922270367 78.960 > 53 56 Se 0.76259256092596 0.25000000000000 0.99197922270367 78.960 > 53 57 Se 0.23740743907404 0.75000000000000 0.00802077729633 78.960 > 57 58 Se 0.73740743907404 0.75000000000000 0.00802077729633 78.960 > 57 59 Se 0.23740743907404 0.75000000000000 0.50802077729633 78.960 > 57 60 Se 0.73740743907404 0.75000000000000 0.50802077729633 78.960 > 57 61 Se 0.01259256092596 0.25000000000000 0.25802077729633 78.960 > 61 62 Se 0.51259256092596 0.25000000000000 0.25802077729633 78.960 > 61 63 Se 0.01259256092596 0.25000000000000 0.75802077729633 78.960 > 61 64 Se 0.51259256092596 0.25000000000000 0.75802077729633 78.960 > 61 65 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 65 66 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 65 67 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 65 68 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 65 69 Cd 0.25000000000000 0.50000000000000 0.25000000000000 112.411 > 69 70 Cd 0.75000000000000 0.50000000000000 0.25000000000000 112.411 > 69 71 Cd 0.25000000000000 0.50000000000000 0.75000000000000 112.411 > 69 72 Cd 0.75000000000000 0.50000000000000 0.75000000000000 112.411 > 69 73 Cd 0.25000000000000 0.00000000000000 0.25000000000000 112.411 > 73 74 Cd 0.75000000000000 0.00000000000000 0.25000000000000 112.411 > 73 75 Cd 0.25000000000000 0.00000000000000 0.75000000000000 112.411 > 73 76 Cd 0.75000000000000 0.00000000000000 0.75000000000000 112.411 > 73 77 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 77 78 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 77 79 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 77 80 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9997450 0.0000000 0.0000000 0.0000000 4.5399731 0.0000000 0.0000000 0.0000000 4.5179915 -------------------------- Born effective charges -------------------------- 1 O -1.6453672 -0.2348170 -0.0155335 -0.8672667 -2.2722719 -0.4954580 -0.3270992 -0.6049212 -1.5930480 2 O -1.6453672 -0.2348170 0.0155335 -0.8672667 -2.2722719 0.4954580 0.3270992 0.6049212 -1.5930480 3 O -1.6453672 0.2348170 0.0155335 0.8672667 -2.2722719 -0.4954580 0.3270992 -0.6049212 -1.5930480 4 O -1.6453672 0.2348170 -0.0155335 0.8672667 -2.2722719 0.4954580 -0.3270992 0.6049212 -1.5930480 5 O -1.6453672 -0.2348170 -0.0155335 -0.8672667 -2.2722719 -0.4954580 -0.3270992 -0.6049212 -1.5930480 6 O -1.6453672 -0.2348170 0.0155335 -0.8672667 -2.2722719 0.4954580 0.3270992 0.6049212 -1.5930480 7 O -1.6453672 0.2348170 0.0155335 0.8672667 -2.2722719 -0.4954580 0.3270992 -0.6049212 -1.5930480 8 O -1.6453672 0.2348170 -0.0155335 0.8672667 -2.2722719 0.4954580 -0.3270992 0.6049212 -1.5930480 9 O -1.0429060 0.0000000 -0.2191653 0.0000000 -1.5200098 0.0000000 0.4730923 0.0000000 -2.8777672 10 O -1.0429060 0.0000000 0.2191653 0.0000000 -1.5200098 0.0000000 -0.4730923 0.0000000 -2.8777672 11 O -1.0429060 0.0000000 0.2191653 0.0000000 -1.5200098 0.0000000 -0.4730923 0.0000000 -2.8777672 12 O -1.0429060 0.0000000 -0.2191653 0.0000000 -1.5200098 0.0000000 0.4730923 0.0000000 -2.8777672 13 Se 1.7516121 0.0000000 0.5427983 0.0000000 3.4774785 0.0000000 0.4943500 0.0000000 3.3004924 14 Se 1.7516121 0.0000000 -0.5427983 0.0000000 3.4774785 0.0000000 -0.4943500 0.0000000 3.3004924 15 Se 1.7516121 0.0000000 -0.5427983 0.0000000 3.4774785 0.0000000 -0.4943500 0.0000000 3.3004924 16 Se 1.7516121 0.0000000 0.5427983 0.0000000 3.4774785 0.0000000 0.4943500 0.0000000 3.3004924 17 Cd 2.5820283 -0.1296612 0.0540141 0.1325494 2.5870751 0.2849880 -0.1398922 -0.3232065 2.7633708 18 Cd 2.5820283 -0.1296612 -0.0540141 0.1325494 2.5870751 -0.2849880 0.1398922 0.3232065 2.7633708 19 Cd 2.5820283 0.1296612 -0.0540141 -0.1325494 2.5870751 0.2849880 0.1398922 -0.3232065 2.7633708 20 Cd 2.5820283 0.1296612 0.0540141 -0.1325494 2.5870751 -0.2849880 -0.1398922 0.3232065 2.7633708 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000008 (xxx) 0.00000008 (xxx) 0.00000008 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (xz) -0.00000005 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:14:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:14:42]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.282015350000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.087128770000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.326430170000001 Atomic positions (fractional): 1 O 0.17377207629289 0.41434253780149 0.63400139396966 15.999 2 O 0.32622792370711 0.58565746219851 0.13400139396966 15.999 3 O 0.67377207629289 0.08565746219851 0.86599860603034 15.999 4 O 0.82622792370711 0.91434253780149 0.36599860603034 15.999 5 O 0.82622792370711 0.58565746219851 0.36599860603034 15.999 6 O 0.67377207629289 0.41434253780149 0.86599860603034 15.999 7 O 0.32622792370711 0.91434253780149 0.13400139396966 15.999 8 O 0.17377207629289 0.08565746219851 0.63400139396966 15.999 9 O 0.09393682669481 0.25000000000000 0.20201636294766 15.999 10 O 0.40606317330519 0.75000000000000 0.70201636294766 15.999 11 O 0.59393682669481 0.25000000000000 0.29798363705234 15.999 12 O 0.90606317330519 0.75000000000000 0.79798363705234 15.999 13 Se 0.97481487814809 0.75000000000000 0.48395844540734 78.960 14 Se 0.52518512185191 0.25000000000000 0.98395844540734 78.960 15 Se 0.47481487814809 0.75000000000000 0.01604155459266 78.960 16 Se 0.02518512185191 0.25000000000000 0.51604155459266 78.960 17 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 18 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 19 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 20 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.564030700000004 0.000000000000000 0.000000000000000 b 0.000000000000000 8.087128770000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.652860340000002 Atomic positions (fractional): 1 O 0.08688603814644 0.41434253780149 0.31700069698483 15.999 > 1 2 O 0.58688603814644 0.41434253780149 0.31700069698483 15.999 > 1 3 O 0.08688603814644 0.41434253780149 0.81700069698483 15.999 > 1 4 O 0.58688603814644 0.41434253780149 0.81700069698483 15.999 > 1 5 O 0.16311396185356 0.58565746219851 0.06700069698483 15.999 > 5 6 O 0.66311396185356 0.58565746219851 0.06700069698483 15.999 > 5 7 O 0.16311396185356 0.58565746219851 0.56700069698483 15.999 > 5 8 O 0.66311396185356 0.58565746219851 0.56700069698483 15.999 > 5 9 O 0.33688603814644 0.08565746219851 0.43299930301517 15.999 > 9 10 O 0.83688603814644 0.08565746219851 0.43299930301517 15.999 > 9 11 O 0.33688603814644 0.08565746219851 0.93299930301517 15.999 > 9 12 O 0.83688603814644 0.08565746219851 0.93299930301517 15.999 > 9 13 O 0.41311396185356 0.91434253780149 0.18299930301517 15.999 > 13 14 O 0.91311396185356 0.91434253780149 0.18299930301517 15.999 > 13 15 O 0.41311396185356 0.91434253780149 0.68299930301517 15.999 > 13 16 O 0.91311396185356 0.91434253780149 0.68299930301517 15.999 > 13 17 O 0.41311396185356 0.58565746219851 0.18299930301517 15.999 > 17 18 O 0.91311396185356 0.58565746219851 0.18299930301517 15.999 > 17 19 O 0.41311396185356 0.58565746219851 0.68299930301517 15.999 > 17 20 O 0.91311396185356 0.58565746219851 0.68299930301517 15.999 > 17 21 O 0.33688603814644 0.41434253780149 0.43299930301517 15.999 > 21 22 O 0.83688603814644 0.41434253780149 0.43299930301517 15.999 > 21 23 O 0.33688603814644 0.41434253780149 0.93299930301517 15.999 > 21 24 O 0.83688603814644 0.41434253780149 0.93299930301517 15.999 > 21 25 O 0.16311396185356 0.91434253780149 0.06700069698483 15.999 > 25 26 O 0.66311396185356 0.91434253780149 0.06700069698483 15.999 > 25 27 O 0.16311396185356 0.91434253780149 0.56700069698483 15.999 > 25 28 O 0.66311396185356 0.91434253780149 0.56700069698483 15.999 > 25 29 O 0.08688603814644 0.08565746219851 0.31700069698483 15.999 > 29 30 O 0.58688603814644 0.08565746219851 0.31700069698483 15.999 > 29 31 O 0.08688603814644 0.08565746219851 0.81700069698483 15.999 > 29 32 O 0.58688603814644 0.08565746219851 0.81700069698483 15.999 > 29 33 O 0.04696841334741 0.25000000000000 0.10100818147383 15.999 > 33 34 O 0.54696841334741 0.25000000000000 0.10100818147383 15.999 > 33 35 O 0.04696841334741 0.25000000000000 0.60100818147383 15.999 > 33 36 O 0.54696841334741 0.25000000000000 0.60100818147383 15.999 > 33 37 O 0.20303158665259 0.75000000000000 0.35100818147383 15.999 > 37 38 O 0.70303158665259 0.75000000000000 0.35100818147383 15.999 > 37 39 O 0.20303158665259 0.75000000000000 0.85100818147383 15.999 > 37 40 O 0.70303158665259 0.75000000000000 0.85100818147383 15.999 > 37 41 O 0.29696841334741 0.25000000000000 0.14899181852617 15.999 > 41 42 O 0.79696841334741 0.25000000000000 0.14899181852617 15.999 > 41 43 O 0.29696841334741 0.25000000000000 0.64899181852617 15.999 > 41 44 O 0.79696841334741 0.25000000000000 0.64899181852617 15.999 > 41 45 O 0.45303158665259 0.75000000000000 0.39899181852617 15.999 > 45 46 O 0.95303158665259 0.75000000000000 0.39899181852617 15.999 > 45 47 O 0.45303158665259 0.75000000000000 0.89899181852617 15.999 > 45 48 O 0.95303158665259 0.75000000000000 0.89899181852617 15.999 > 45 49 Se 0.48740743907404 0.75000000000000 0.24197922270367 78.960 > 49 50 Se 0.98740743907404 0.75000000000000 0.24197922270367 78.960 > 49 51 Se 0.48740743907404 0.75000000000000 0.74197922270367 78.960 > 49 52 Se 0.98740743907404 0.75000000000000 0.74197922270367 78.960 > 49 53 Se 0.26259256092596 0.25000000000000 0.49197922270367 78.960 > 53 54 Se 0.76259256092596 0.25000000000000 0.49197922270367 78.960 > 53 55 Se 0.26259256092596 0.25000000000000 0.99197922270367 78.960 > 53 56 Se 0.76259256092596 0.25000000000000 0.99197922270367 78.960 > 53 57 Se 0.23740743907404 0.75000000000000 0.00802077729633 78.960 > 57 58 Se 0.73740743907404 0.75000000000000 0.00802077729633 78.960 > 57 59 Se 0.23740743907404 0.75000000000000 0.50802077729633 78.960 > 57 60 Se 0.73740743907404 0.75000000000000 0.50802077729633 78.960 > 57 61 Se 0.01259256092596 0.25000000000000 0.25802077729633 78.960 > 61 62 Se 0.51259256092596 0.25000000000000 0.25802077729633 78.960 > 61 63 Se 0.01259256092596 0.25000000000000 0.75802077729633 78.960 > 61 64 Se 0.51259256092596 0.25000000000000 0.75802077729633 78.960 > 61 65 Cd 0.00000000000000 0.50000000000000 0.00000000000000 112.411 > 65 66 Cd 0.50000000000000 0.50000000000000 0.00000000000000 112.411 > 65 67 Cd 0.00000000000000 0.50000000000000 0.50000000000000 112.411 > 65 68 Cd 0.50000000000000 0.50000000000000 0.50000000000000 112.411 > 65 69 Cd 0.25000000000000 0.50000000000000 0.25000000000000 112.411 > 69 70 Cd 0.75000000000000 0.50000000000000 0.25000000000000 112.411 > 69 71 Cd 0.25000000000000 0.50000000000000 0.75000000000000 112.411 > 69 72 Cd 0.75000000000000 0.50000000000000 0.75000000000000 112.411 > 69 73 Cd 0.25000000000000 0.00000000000000 0.25000000000000 112.411 > 73 74 Cd 0.75000000000000 0.00000000000000 0.25000000000000 112.411 > 73 75 Cd 0.25000000000000 0.00000000000000 0.75000000000000 112.411 > 73 76 Cd 0.75000000000000 0.00000000000000 0.75000000000000 112.411 > 73 77 Cd 0.00000000000000 0.00000000000000 0.00000000000000 112.411 > 77 78 Cd 0.50000000000000 0.00000000000000 0.00000000000000 112.411 > 77 79 Cd 0.00000000000000 0.00000000000000 0.50000000000000 112.411 > 77 80 Cd 0.50000000000000 0.00000000000000 0.50000000000000 112.411 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9997450 0.0000000 0.0000000 0.0000000 4.5399731 0.0000000 0.0000000 0.0000000 4.5179915 -------------------------- Born effective charges -------------------------- 1 O -1.6453672 -0.2348170 -0.0155335 -0.8672667 -2.2722719 -0.4954580 -0.3270992 -0.6049212 -1.5930480 2 O -1.6453672 -0.2348170 0.0155335 -0.8672667 -2.2722719 0.4954580 0.3270992 0.6049212 -1.5930480 3 O -1.6453672 0.2348170 0.0155335 0.8672667 -2.2722719 -0.4954580 0.3270992 -0.6049212 -1.5930480 4 O -1.6453672 0.2348170 -0.0155335 0.8672667 -2.2722719 0.4954580 -0.3270992 0.6049212 -1.5930480 5 O -1.6453672 -0.2348170 -0.0155335 -0.8672667 -2.2722719 -0.4954580 -0.3270992 -0.6049212 -1.5930480 6 O -1.6453672 -0.2348170 0.0155335 -0.8672667 -2.2722719 0.4954580 0.3270992 0.6049212 -1.5930480 7 O -1.6453672 0.2348170 0.0155335 0.8672667 -2.2722719 -0.4954580 0.3270992 -0.6049212 -1.5930480 8 O -1.6453672 0.2348170 -0.0155335 0.8672667 -2.2722719 0.4954580 -0.3270992 0.6049212 -1.5930480 9 O -1.0429060 0.0000000 -0.2191653 0.0000000 -1.5200098 0.0000000 0.4730923 0.0000000 -2.8777672 10 O -1.0429060 0.0000000 0.2191653 0.0000000 -1.5200098 0.0000000 -0.4730923 0.0000000 -2.8777672 11 O -1.0429060 0.0000000 0.2191653 0.0000000 -1.5200098 0.0000000 -0.4730923 0.0000000 -2.8777672 12 O -1.0429060 0.0000000 -0.2191653 0.0000000 -1.5200098 0.0000000 0.4730923 0.0000000 -2.8777672 13 Se 1.7516121 0.0000000 0.5427983 0.0000000 3.4774785 0.0000000 0.4943500 0.0000000 3.3004924 14 Se 1.7516121 0.0000000 -0.5427983 0.0000000 3.4774785 0.0000000 -0.4943500 0.0000000 3.3004924 15 Se 1.7516121 0.0000000 -0.5427983 0.0000000 3.4774785 0.0000000 -0.4943500 0.0000000 3.3004924 16 Se 1.7516121 0.0000000 0.5427983 0.0000000 3.4774785 0.0000000 0.4943500 0.0000000 3.3004924 17 Cd 2.5820283 -0.1296612 0.0540141 0.1325494 2.5870751 0.2849880 -0.1398922 -0.3232065 2.7633708 18 Cd 2.5820283 -0.1296612 -0.0540141 0.1325494 2.5870751 -0.2849880 0.1398922 0.3232065 2.7633708 19 Cd 2.5820283 0.1296612 -0.0540141 -0.1325494 2.5870751 0.2849880 0.1398922 -0.3232065 2.7633708 20 Cd 2.5820283 0.1296612 0.0540141 -0.1325494 2.5870751 -0.2849880 -0.1398922 0.3232065 2.7633708 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000008 (xxx) 0.00000008 (xxx) 0.00000008 (xxx) 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 ... [ 8 6 9 ] 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: 0.64, Number of G-points: 309, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 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 1.613 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 5.128 ( 0.000 0.000 0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.287 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.849 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.055 ( 0.000 0.000 0.000) 0.000 8.953 ( 0.000 0.000 0.000) 0.000 9.002 ( 0.000 0.000 0.000) 0.000 9.572 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 10.328 ( 0.000 0.000 0.000) 0.000 10.639 ( 0.000 0.000 0.000) 0.000 10.927 ( 0.000 0.000 0.000) 0.000 11.673 ( 0.000 0.000 0.000) 0.000 11.840 ( 0.000 0.000 0.000) 0.000 12.319 ( 0.000 0.000 0.000) 0.000 12.665 ( 0.000 0.000 0.000) 0.000 12.825 ( 0.000 0.000 0.000) 0.000 13.383 ( 0.000 0.000 0.000) 0.000 13.644 ( 0.000 0.000 0.000) 0.000 13.940 ( 0.000 0.000 0.000) 0.000 18.849 ( 0.000 0.000 0.000) 0.000 19.181 ( 0.000 0.000 0.000) 0.000 19.519 ( 0.000 0.000 0.000) 0.000 19.672 ( 0.000 0.000 0.000) 0.000 19.860 ( 0.000 0.000 0.000) 0.000 19.941 ( 0.000 0.000 0.000) 0.000 20.477 ( 0.000 0.000 0.000) 0.000 21.596 ( 0.000 0.000 0.000) 0.000 22.233 ( 0.000 0.000 0.000) 0.000 22.353 ( 0.000 0.000 0.000) 0.000 22.378 ( 0.000 0.000 0.000) 0.000 22.962 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.12 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 17.814 0.000 0.000) 17.814 0.455 ( 22.550 0.000 0.000) 22.550 0.870 ( 42.886 0.000 0.000) 42.886 1.649 ( 3.879 0.000 0.000) 3.879 2.014 ( -5.609 0.000 0.000) 5.609 2.282 ( -4.414 0.000 0.000) 4.414 2.487 ( 4.142 0.000 0.000) 4.142 2.653 ( 2.618 0.000 0.000) 2.618 3.060 ( -4.736 0.000 0.000) 4.736 3.264 ( -1.066 0.000 0.000) 1.066 3.288 ( 3.377 0.000 0.000) 3.377 3.422 ( 4.065 0.000 0.000) 4.065 3.587 ( 1.621 0.000 0.000) 1.621 3.656 ( 0.478 0.000 0.000) 0.478 3.668 ( -1.882 0.000 0.000) 1.882 3.901 ( 9.423 0.000 0.000) 9.423 3.939 ( 2.007 0.000 0.000) 2.007 4.074 ( -1.926 0.000 0.000) 1.926 4.351 ( -1.326 0.000 0.000) 1.326 4.482 ( 2.535 0.000 0.000) 2.535 4.943 ( -4.664 0.000 0.000) 4.664 5.048 ( -8.265 0.000 0.000) 8.265 5.165 ( -11.573 0.000 0.000) 11.573 5.206 ( -2.321 0.000 0.000) 2.321 5.304 ( -3.468 0.000 0.000) 3.468 5.479 ( -7.828 0.000 0.000) 7.828 6.036 ( 15.576 0.000 0.000) 15.576 6.654 ( -0.346 0.000 0.000) 0.346 6.845 ( -0.538 0.000 0.000) 0.538 7.393 ( 1.003 0.000 0.000) 1.003 7.528 ( 0.238 0.000 0.000) 0.238 7.959 ( -6.024 0.000 0.000) 6.024 8.088 ( 3.368 0.000 0.000) 3.368 8.963 ( -3.825 0.000 0.000) 3.825 9.075 ( 11.727 0.000 0.000) 11.727 9.567 ( -0.438 0.000 0.000) 0.438 9.910 ( -5.053 0.000 0.000) 5.053 10.362 ( 2.913 0.000 0.000) 2.913 10.633 ( -0.574 0.000 0.000) 0.574 10.894 ( -3.497 0.000 0.000) 3.497 11.668 ( -0.464 0.000 0.000) 0.464 11.799 ( -3.683 0.000 0.000) 3.683 12.353 ( 3.145 0.000 0.000) 3.145 12.724 ( 5.719 0.000 0.000) 5.719 12.812 ( -1.332 0.000 0.000) 1.332 13.614 ( -2.837 0.000 0.000) 2.837 13.974 ( 3.214 0.000 0.000) 3.214 14.578 ( -2.247 0.000 0.000) 2.247 18.847 ( -0.025 0.000 0.000) 0.025 19.164 ( -1.730 0.000 0.000) 1.730 19.526 ( 0.666 0.000 0.000) 0.666 19.757 ( 8.236 0.000 0.000) 8.236 19.804 ( -3.564 0.000 0.000) 3.564 20.018 ( 5.650 0.000 0.000) 5.650 20.577 ( -1.010 0.000 0.000) 1.010 21.522 ( -7.299 0.000 0.000) 7.299 22.247 ( 1.367 0.000 0.000) 1.367 22.376 ( -0.145 0.000 0.000) 0.145 22.961 ( -0.146 0.000 0.000) 0.146 23.032 ( -1.493 0.000 0.000) 1.493 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.25 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 16.048 0.000 0.000) 16.048 0.892 ( 21.241 0.000 0.000) 21.241 1.685 ( 38.295 0.000 0.000) 38.295 1.776 ( 8.969 0.000 0.000) 8.969 1.851 ( -10.519 0.000 0.000) 10.519 2.152 ( -8.489 0.000 0.000) 8.489 2.564 ( 1.623 0.000 0.000) 1.623 2.718 ( 3.505 0.000 0.000) 3.505 2.974 ( -2.515 0.000 0.000) 2.515 3.232 ( -2.184 0.000 0.000) 2.184 3.382 ( 5.869 0.000 0.000) 5.869 3.525 ( 6.453 0.000 0.000) 6.453 3.607 ( 0.271 0.000 0.000) 0.271 3.636 ( -1.466 0.000 0.000) 1.466 3.679 ( 2.083 0.000 0.000) 2.083 3.994 ( 3.423 0.000 0.000) 3.423 4.045 ( -0.789 0.000 0.000) 0.789 4.131 ( 12.791 0.000 0.000) 12.791 4.312 ( -2.640 0.000 0.000) 2.640 4.549 ( 3.312 0.000 0.000) 3.312 4.804 ( -15.098 0.000 0.000) 15.098 4.842 ( -4.543 0.000 0.000) 4.543 4.867 ( -17.105 0.000 0.000) 17.105 5.132 ( -5.325 0.000 0.000) 5.325 5.220 ( -4.819 0.000 0.000) 4.819 5.324 ( -7.768 0.000 0.000) 7.768 6.386 ( 18.997 0.000 0.000) 18.997 6.650 ( 0.093 0.000 0.000) 0.093 6.819 ( -2.120 0.000 0.000) 2.120 7.422 ( 1.841 0.000 0.000) 1.841 7.529 ( -0.235 0.000 0.000) 0.235 7.785 ( -11.254 0.000 0.000) 11.254 8.188 ( 6.523 0.000 0.000) 6.523 8.855 ( -6.849 0.000 0.000) 6.849 9.388 ( 18.826 0.000 0.000) 18.826 9.559 ( -0.256 0.000 0.000) 0.256 9.793 ( -6.194 0.000 0.000) 6.194 10.426 ( 3.309 0.000 0.000) 3.309 10.615 ( -1.195 0.000 0.000) 1.195 10.777 ( -8.676 0.000 0.000) 8.676 11.656 ( -0.736 0.000 0.000) 0.736 11.717 ( -3.951 0.000 0.000) 3.951 12.432 ( 4.557 0.000 0.000) 4.557 12.772 ( -2.640 0.000 0.000) 2.640 12.877 ( 9.220 0.000 0.000) 9.220 13.536 ( -4.903 0.000 0.000) 4.903 14.059 ( 5.119 0.000 0.000) 5.119 14.513 ( -4.197 0.000 0.000) 4.197 18.857 ( 1.218 0.000 0.000) 1.218 19.114 ( -3.130 0.000 0.000) 3.130 19.546 ( 1.350 0.000 0.000) 1.350 19.737 ( -3.175 0.000 0.000) 3.175 19.982 ( 14.015 0.000 0.000) 14.015 20.141 ( 6.562 0.000 0.000) 6.562 20.545 ( -2.294 0.000 0.000) 2.294 21.314 ( -13.239 0.000 0.000) 13.239 22.283 ( 2.024 0.000 0.000) 2.024 22.372 ( -0.282 0.000 0.000) 0.282 22.956 ( -0.315 0.000 0.000) 0.315 22.996 ( -1.964 0.000 0.000) 1.964 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.38 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 15.381 0.000 0.000) 15.381 1.295 ( 19.119 0.000 0.000) 19.119 1.607 ( -13.664 0.000 0.000) 13.664 1.935 ( -12.472 0.000 0.000) 12.472 1.997 ( 12.728 0.000 0.000) 12.728 2.361 ( 27.110 0.000 0.000) 27.110 2.487 ( -8.890 0.000 0.000) 8.890 2.771 ( 1.180 0.000 0.000) 1.180 3.000 ( 4.286 0.000 0.000) 4.286 3.176 ( -3.424 0.000 0.000) 3.424 3.494 ( 4.649 0.000 0.000) 4.649 3.605 ( -1.709 0.000 0.000) 1.709 3.630 ( 3.573 0.000 0.000) 3.573 3.708 ( 12.677 0.000 0.000) 12.677 3.738 ( 3.441 0.000 0.000) 3.441 4.027 ( -1.408 0.000 0.000) 1.408 4.071 ( 4.289 0.000 0.000) 4.289 4.247 ( -3.864 0.000 0.000) 3.864 4.302 ( -3.707 0.000 0.000) 3.707 4.376 ( -19.666 0.000 0.000) 19.666 4.601 ( -1.493 0.000 0.000) 1.493 4.704 ( 4.751 0.000 0.000) 4.751 4.790 ( -0.533 0.000 0.000) 0.533 4.989 ( -9.032 0.000 0.000) 9.032 5.122 ( -4.591 0.000 0.000) 4.591 5.173 ( -7.099 0.000 0.000) 7.099 6.664 ( 1.401 0.000 0.000) 1.401 6.766 ( -3.084 0.000 0.000) 3.084 6.775 ( 19.713 0.000 0.000) 19.713 7.463 ( 2.186 0.000 0.000) 2.186 7.479 ( -10.354 0.000 0.000) 10.354 7.554 ( -6.250 0.000 0.000) 6.250 8.340 ( 8.529 0.000 0.000) 8.529 8.699 ( -8.669 0.000 0.000) 8.669 9.563 ( 0.896 0.000 0.000) 0.896 9.679 ( -5.008 0.000 0.000) 5.008 9.791 ( 20.991 0.000 0.000) 20.991 10.489 ( 2.948 0.000 0.000) 2.948 10.542 ( -14.804 0.000 0.000) 14.804 10.585 ( -1.836 0.000 0.000) 1.836 11.642 ( -0.604 0.000 0.000) 0.604 11.657 ( -1.981 0.000 0.000) 1.981 12.527 ( 4.909 0.000 0.000) 4.909 12.707 ( -3.800 0.000 0.000) 3.800 13.073 ( 9.984 0.000 0.000) 9.984 13.419 ( -6.902 0.000 0.000) 6.902 14.171 ( 6.090 0.000 0.000) 6.090 14.415 ( -5.593 0.000 0.000) 5.593 18.898 ( 2.813 0.000 0.000) 2.813 19.043 ( -3.899 0.000 0.000) 3.899 19.579 ( 1.991 0.000 0.000) 1.991 19.677 ( -2.840 0.000 0.000) 2.840 20.272 ( 6.425 0.000 0.000) 6.425 20.298 ( 17.274 0.000 0.000) 17.274 20.484 ( -3.864 0.000 0.000) 3.864 21.010 ( -16.974 0.000 0.000) 16.974 22.321 ( 1.751 0.000 0.000) 1.751 22.364 ( -0.518 0.000 0.000) 0.518 22.950 ( -0.309 0.000 0.000) 0.309 22.962 ( -1.265 0.000 0.000) 1.265 ======================= Grid point 4 (5/100) ======================= 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -15.106 0.000 0.000) 15.106 1.318 ( 15.106 0.000 0.000) 15.106 1.647 ( -16.211 0.000 0.000) 16.211 1.647 ( 16.211 0.000 0.000) 16.211 2.259 ( -13.045 0.000 0.000) 13.045 2.259 ( 13.045 0.000 0.000) 13.045 2.717 ( -8.613 0.000 0.000) 8.613 2.717 ( 8.613 0.000 0.000) 8.613 3.095 ( -4.664 0.000 0.000) 4.664 3.095 ( 4.664 0.000 0.000) 4.664 3.564 ( -2.604 0.000 0.000) 2.604 3.564 ( 2.604 0.000 0.000) 2.604 3.755 ( -4.808 0.000 0.000) 4.808 3.755 ( 4.808 0.000 0.000) 4.808 4.017 ( -17.395 0.000 0.000) 17.395 4.017 ( 17.395 0.000 0.000) 17.395 4.047 ( -8.069 0.000 0.000) 8.069 4.047 ( 8.069 0.000 0.000) 8.069 4.161 ( -4.555 0.000 0.000) 4.555 4.161 ( 4.555 0.000 0.000) 4.555 4.777 ( -11.860 0.000 0.000) 11.860 4.777 ( 11.860 0.000 0.000) 11.860 4.784 ( -1.764 0.000 0.000) 1.764 4.784 ( 1.764 0.000 0.000) 1.764 5.076 ( -1.350 0.000 0.000) 1.350 5.076 ( 1.350 0.000 0.000) 1.350 6.706 ( -2.725 0.000 0.000) 2.725 6.706 ( 2.725 0.000 0.000) 2.725 7.158 ( -18.414 0.000 0.000) 18.414 7.158 ( 18.414 0.000 0.000) 18.414 7.505 ( -1.916 0.000 0.000) 1.916 7.505 ( 1.916 0.000 0.000) 1.916 8.519 ( -9.224 0.000 0.000) 9.224 8.519 ( 9.224 0.000 0.000) 9.224 9.600 ( -2.882 0.000 0.000) 2.882 9.600 ( 2.882 0.000 0.000) 2.882 10.198 ( -19.366 0.000 0.000) 19.366 10.198 ( 19.366 0.000 0.000) 19.366 10.543 ( -2.431 0.000 0.000) 2.431 10.543 ( 2.431 0.000 0.000) 2.431 11.637 ( -0.217 0.000 0.000) 0.217 11.637 ( 0.217 0.000 0.000) 0.217 12.623 ( -4.613 0.000 0.000) 4.613 12.623 ( 4.613 0.000 0.000) 4.613 13.262 ( -8.841 0.000 0.000) 8.841 13.262 ( 8.841 0.000 0.000) 8.841 14.296 ( -6.250 0.000 0.000) 6.250 14.296 ( 6.250 0.000 0.000) 6.250 18.965 ( -3.813 0.000 0.000) 3.813 18.965 ( 3.813 0.000 0.000) 3.813 19.624 ( -2.492 0.000 0.000) 2.492 19.624 ( 2.492 0.000 0.000) 2.492 20.391 ( -5.402 0.000 0.000) 5.402 20.391 ( 5.402 0.000 0.000) 5.402 20.655 ( -18.281 0.000 0.000) 18.281 20.655 ( 18.281 0.000 0.000) 18.281 22.349 ( -1.040 0.000 0.000) 1.040 22.349 ( 1.040 0.000 0.000) 1.040 22.948 ( -0.228 0.000 0.000) 0.228 22.948 ( 0.228 0.000 0.000) 0.228 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 17.185 0.000) 17.185 0.611 ( 0.000 29.605 0.000) 29.605 0.867 ( 0.000 40.180 0.000) 40.180 1.666 ( 0.000 -5.833 0.000) 5.833 2.187 ( 0.000 10.657 0.000) 10.657 2.300 ( 0.000 4.933 0.000) 4.933 2.488 ( 0.000 3.249 0.000) 3.249 2.622 ( 0.000 -0.200 0.000) 0.200 2.982 ( 0.000 -22.021 0.000) 22.021 3.135 ( 0.000 0.370 0.000) 0.370 3.304 ( 0.000 -13.263 0.000) 13.263 3.356 ( 0.000 2.546 0.000) 2.546 3.529 ( 0.000 -14.521 0.000) 14.521 3.571 ( 0.000 0.532 0.000) 0.532 3.642 ( 0.000 -0.494 0.000) 0.494 4.040 ( 0.000 -8.126 0.000) 8.126 4.171 ( 0.000 15.672 0.000) 15.672 4.197 ( 0.000 9.051 0.000) 9.051 4.410 ( 0.000 4.449 0.000) 4.449 4.423 ( 0.000 -2.994 0.000) 2.994 5.097 ( 0.000 9.367 0.000) 9.367 5.122 ( 0.000 1.186 0.000) 1.186 5.262 ( 0.000 2.698 0.000) 2.698 5.331 ( 0.000 -1.058 0.000) 1.058 5.351 ( 0.000 2.454 0.000) 2.454 5.367 ( 0.000 -4.076 0.000) 4.076 5.961 ( 0.000 10.720 0.000) 10.720 6.527 ( 0.000 -12.157 0.000) 12.157 6.755 ( 0.000 -8.994 0.000) 8.994 7.208 ( 0.000 -12.663 0.000) 12.663 7.531 ( 0.000 1.035 0.000) 1.035 7.976 ( 0.000 -4.183 0.000) 4.183 8.209 ( 0.000 12.916 0.000) 12.916 9.159 ( 0.000 14.419 0.000) 14.419 9.487 ( 0.000 -9.496 0.000) 9.496 9.659 ( 0.000 8.034 0.000) 8.034 9.845 ( 0.000 6.294 0.000) 6.294 10.328 ( 0.000 -0.400 0.000) 0.400 10.590 ( 0.000 -4.682 0.000) 4.682 10.830 ( 0.000 -9.474 0.000) 9.474 11.744 ( 0.000 6.666 0.000) 6.666 11.852 ( 0.000 1.509 0.000) 1.509 12.275 ( 0.000 -4.062 0.000) 4.062 12.602 ( 0.000 -5.995 0.000) 5.995 13.221 ( 0.000 0.825 0.000) 0.825 13.370 ( 0.000 -1.228 0.000) 1.228 13.678 ( 0.000 3.043 0.000) 3.043 13.930 ( 0.000 -1.021 0.000) 1.021 18.895 ( 0.000 4.359 0.000) 4.359 19.576 ( 0.000 5.383 0.000) 5.383 19.578 ( 0.000 -7.516 0.000) 7.516 19.906 ( 0.000 2.921 0.000) 2.921 19.946 ( 0.000 0.458 0.000) 0.458 20.396 ( 0.000 -7.456 0.000) 7.456 21.651 ( 0.000 4.957 0.000) 4.957 22.165 ( 0.000 -4.575 0.000) 4.575 22.306 ( 0.000 1.966 0.000) 1.966 22.354 ( 0.000 0.056 0.000) 0.056 22.418 ( 0.000 3.849 0.000) 3.849 22.925 ( 0.000 -3.587 0.000) 3.587 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.12 0.17 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 18.588 16.450 0.000) 24.821 0.757 ( 13.105 23.490 0.000) 26.898 1.077 ( 25.542 24.058 0.000) 35.088 1.676 ( 2.971 -0.625 0.000) 3.036 2.135 ( -5.203 10.966 0.000) 12.138 2.286 ( -2.257 3.522 0.000) 4.183 2.522 ( 2.982 2.063 0.000) 3.626 2.644 ( 2.173 -0.496 0.000) 2.229 3.008 ( 2.289 -20.839 0.000) 20.964 3.100 ( -2.422 1.926 0.000) 3.094 3.265 ( -2.954 -9.822 0.000) 10.257 3.403 ( 4.093 0.710 0.000) 4.155 3.545 ( 0.490 -6.952 0.000) 6.969 3.623 ( 4.331 -6.868 0.000) 8.120 3.648 ( 0.744 -0.208 0.000) 0.772 3.871 ( -9.549 5.806 0.000) 11.175 4.097 ( -1.691 0.087 0.000) 1.693 4.182 ( 1.094 15.024 0.000) 15.064 4.447 ( 2.378 -3.075 0.000) 3.887 4.502 ( 2.096 6.644 0.000) 6.967 4.940 ( -10.798 0.727 0.000) 10.822 5.058 ( -7.451 1.924 0.000) 7.695 5.210 ( -3.878 0.226 0.000) 3.885 5.234 ( -9.575 5.229 0.000) 10.909 5.315 ( -1.831 1.481 0.000) 2.355 5.424 ( 0.007 0.173 0.000) 0.173 6.118 ( 14.041 8.021 0.000) 16.171 6.528 ( 0.116 -11.692 0.000) 11.692 6.756 ( -0.451 -8.668 0.000) 8.680 7.266 ( 4.167 -11.030 0.000) 11.791 7.529 ( -0.303 0.466 0.000) 0.556 7.919 ( -5.700 -3.886 0.000) 6.899 8.285 ( 5.557 13.348 0.000) 14.459 9.115 ( -4.326 13.966 0.000) 14.620 9.261 ( -6.383 5.302 0.000) 8.298 9.659 ( -0.051 8.409 0.000) 8.410 9.904 ( -0.541 1.448 0.000) 1.546 10.354 ( 2.541 -1.022 0.000) 2.739 10.579 ( -1.185 -5.287 0.000) 5.418 10.800 ( -3.102 -9.039 0.000) 9.557 11.738 ( -0.720 6.429 0.000) 6.469 11.820 ( -2.900 2.247 0.000) 3.669 12.302 ( 2.491 -4.677 0.000) 5.299 12.547 ( -1.666 -8.016 0.000) 8.188 13.054 ( -1.211 10.917 0.000) 10.984 13.653 ( -2.343 3.506 0.000) 4.217 13.924 ( 24.746 -27.255 0.000) 36.813 13.959 ( 2.788 -1.432 0.000) 3.134 18.902 ( 0.857 5.182 0.000) 5.252 19.580 ( 0.431 5.282 0.000) 5.299 19.640 ( 5.386 -7.767 0.000) 9.451 19.875 ( -0.386 3.437 0.000) 3.458 20.016 ( 4.888 -0.261 0.000) 4.895 20.271 ( -18.708 12.153 0.000) 22.309 20.870 ( -48.200 43.550 0.000) 64.960 21.567 ( -8.295 3.863 0.000) 9.150 22.255 ( 1.610 0.879 0.000) 1.834 22.416 ( -0.182 3.819 0.000) 3.823 22.845 ( 7.301 -13.273 0.000) 15.148 22.923 ( -0.199 -3.630 0.000) 3.636 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.25 0.17 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 11.220 22.104 0.000) 24.789 1.068 ( 17.015 15.764 0.000) 23.195 1.688 ( 24.526 -0.503 0.000) 24.531 1.856 ( 20.052 9.022 0.000) 21.988 1.986 ( -9.506 12.076 0.000) 15.368 2.193 ( -7.083 4.590 0.000) 8.440 2.562 ( -0.422 -1.317 0.000) 1.383 2.707 ( 3.892 -0.261 0.000) 3.900 3.005 ( -2.003 -5.036 0.000) 5.419 3.141 ( 6.804 -9.401 0.000) 11.605 3.207 ( -2.907 -7.691 0.000) 8.222 3.501 ( 5.538 -2.502 0.000) 6.077 3.547 ( -0.032 -4.882 0.000) 4.882 3.617 ( -3.624 1.946 0.000) 4.114 3.681 ( 2.917 0.797 0.000) 3.024 3.882 ( 6.119 -9.863 0.000) 11.607 4.110 ( 4.242 -2.613 0.000) 4.982 4.214 ( 2.095 13.496 0.000) 13.658 4.492 ( -2.494 10.646 0.000) 10.935 4.509 ( 3.111 -3.449 0.000) 4.645 4.687 ( -14.544 -7.302 0.000) 16.274 4.822 ( -14.945 2.168 0.000) 15.102 5.045 ( -8.444 6.817 0.000) 10.853 5.109 ( -7.145 -1.947 0.000) 7.405 5.274 ( -1.742 5.593 0.000) 5.858 5.368 ( -4.350 7.057 0.000) 8.290 6.448 ( 18.099 5.820 0.000) 19.012 6.535 ( 0.769 -10.542 0.000) 10.570 6.729 ( -2.196 -8.517 0.000) 8.795 7.342 ( 3.449 -7.237 0.000) 8.017 7.517 ( -0.903 -0.881 0.000) 1.262 7.755 ( -10.654 -2.985 0.000) 11.064 8.385 ( 4.852 15.264 0.000) 16.017 8.996 ( -7.400 13.079 0.000) 15.027 9.358 ( 13.337 -3.064 0.000) 13.685 9.657 ( -0.016 8.950 0.000) 8.950 9.844 ( -4.183 4.750 0.000) 6.329 10.414 ( 3.179 -1.613 0.000) 3.565 10.534 ( -3.872 -7.978 0.000) 8.868 10.707 ( -5.911 -6.404 0.000) 8.715 11.718 ( -1.183 5.769 0.000) 5.889 11.755 ( -3.213 3.629 0.000) 4.847 12.364 ( 3.554 -6.112 0.000) 7.070 12.546 ( 0.477 -12.122 0.000) 12.131 13.099 ( 4.828 11.779 0.000) 12.730 13.589 ( -4.017 4.722 0.000) 6.200 14.032 ( 4.308 -2.563 0.000) 5.013 14.217 ( 6.755 -21.020 0.000) 22.078 18.937 ( 2.858 7.447 0.000) 7.976 19.587 ( -0.832 6.907 0.000) 6.957 19.713 ( 0.596 -2.790 0.000) 2.853 19.734 ( -22.104 38.703 0.000) 44.571 19.967 ( 10.639 -0.952 0.000) 10.681 20.123 ( 5.765 -1.721 0.000) 6.016 20.513 ( -5.349 -0.453 0.000) 5.369 21.333 ( -14.782 1.210 0.000) 14.832 22.296 ( 2.377 1.464 0.000) 2.792 22.411 ( -0.402 3.686 0.000) 3.708 22.895 ( 0.175 -8.779 0.000) 8.781 22.916 ( -0.455 -3.789 0.000) 3.816 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.38 0.17 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 12.115 18.371 0.000) 22.006 1.403 ( 15.721 10.497 0.000) 18.903 1.773 ( -11.071 14.344 0.000) 18.120 1.990 ( 5.254 1.902 0.000) 5.587 2.016 ( -2.971 4.792 0.000) 5.638 2.396 ( 24.530 4.412 0.000) 24.923 2.475 ( -8.153 -1.596 0.000) 8.308 2.768 ( 1.269 0.205 0.000) 1.285 3.002 ( 2.010 -5.370 0.000) 5.733 3.144 ( -3.570 -7.515 0.000) 8.320 3.306 ( 8.605 -7.271 0.000) 11.266 3.539 ( -3.343 0.314 0.000) 3.358 3.583 ( 3.727 -4.329 0.000) 5.712 3.619 ( 5.900 -6.696 0.000) 8.925 3.778 ( 7.440 1.830 0.000) 7.662 3.942 ( 0.561 -7.572 0.000) 7.592 4.259 ( 1.410 10.069 0.000) 10.167 4.280 ( 6.151 -3.933 0.000) 7.301 4.338 ( -11.861 1.383 0.000) 11.942 4.389 ( -16.685 2.823 0.000) 16.922 4.484 ( -0.919 0.685 0.000) 1.147 4.677 ( 3.675 -2.296 0.000) 4.333 4.904 ( -6.128 2.791 0.000) 6.734 4.918 ( -11.779 -4.663 0.000) 12.668 5.249 ( -0.858 10.562 0.000) 10.597 5.285 ( -3.441 12.487 0.000) 12.952 6.562 ( 1.935 -9.329 0.000) 9.528 6.674 ( -3.092 -8.244 0.000) 8.805 6.817 ( 18.486 3.455 0.000) 18.806 7.406 ( 2.980 -5.194 0.000) 5.988 7.473 ( -8.112 -1.034 0.000) 8.177 7.521 ( -8.118 -2.737 0.000) 8.567 8.500 ( 6.865 13.769 0.000) 15.385 8.831 ( -8.828 12.432 0.000) 15.247 9.662 ( 0.573 8.798 0.000) 8.816 9.667 ( 11.852 -5.538 0.000) 13.082 9.790 ( 3.383 4.596 0.000) 5.706 10.384 ( -11.782 -11.474 0.000) 16.446 10.476 ( 3.011 -1.804 0.000) 3.510 10.601 ( -4.066 -1.979 0.000) 4.522 11.696 ( -0.867 5.146 0.000) 5.219 11.705 ( -1.701 4.517 0.000) 4.827 12.437 ( 3.569 -7.978 0.000) 8.740 12.541 ( -1.150 -12.077 0.000) 12.132 13.223 ( 7.145 10.807 0.000) 12.955 13.493 ( -5.611 6.492 0.000) 8.581 14.124 ( 4.737 -4.457 0.000) 6.504 14.264 ( -0.880 -12.635 0.000) 12.666 19.019 ( 5.451 11.112 0.000) 12.377 19.363 ( -12.825 25.869 0.000) 28.873 19.630 ( 1.214 5.130 0.000) 5.272 19.695 ( -1.623 1.523 0.000) 2.226 20.225 ( 8.410 -4.187 0.000) 9.395 20.266 ( 14.191 -3.165 0.000) 14.540 20.428 ( -4.072 -4.551 0.000) 6.107 20.998 ( -18.412 -1.720 0.000) 18.493 22.343 ( 2.139 2.132 0.000) 3.020 22.399 ( -0.773 3.358 0.000) 3.446 22.892 ( -0.169 -6.415 0.000) 6.417 22.905 ( -0.624 -4.166 0.000) 4.213 ======================= Grid point 13 (10/100) ======================= q-point: (-0.50 0.17 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -10.926 13.819 0.000) 17.616 1.480 ( 10.926 13.819 0.000) 17.616 1.759 ( -12.629 10.480 0.000) 16.411 1.759 ( 12.629 10.480 0.000) 16.411 2.262 ( -12.517 -0.134 0.000) 12.517 2.262 ( 12.517 -0.134 0.000) 12.517 2.717 ( -7.863 0.885 0.000) 7.913 2.717 ( 7.863 0.885 0.000) 7.913 3.067 ( -3.941 -7.282 0.000) 8.280 3.067 ( 3.941 -7.282 0.000) 8.280 3.450 ( -5.667 -2.928 0.000) 6.378 3.450 ( 5.667 -2.928 0.000) 6.378 3.682 ( -1.740 -7.067 0.000) 7.278 3.682 ( 1.740 -7.067 0.000) 7.278 3.979 ( -5.708 -3.366 0.000) 6.627 3.979 ( 5.708 -3.366 0.000) 6.627 4.051 ( -2.631 1.488 0.000) 3.023 4.051 ( 2.631 1.488 0.000) 3.023 4.335 ( -2.555 10.689 0.000) 10.990 4.335 ( 2.555 10.689 0.000) 10.990 4.657 ( -13.730 -6.786 0.000) 15.315 4.657 ( 13.730 -6.786 0.000) 15.315 4.785 ( -5.987 -2.011 0.000) 6.316 4.785 ( 5.987 -2.011 0.000) 6.316 5.244 ( -0.681 14.063 0.000) 14.080 5.244 ( 0.681 14.063 0.000) 14.080 6.611 ( -2.955 -8.584 0.000) 9.078 6.611 ( 2.955 -8.584 0.000) 9.078 7.174 ( -17.194 1.190 0.000) 17.235 7.174 ( 17.194 1.190 0.000) 17.235 7.460 ( -2.451 -4.018 0.000) 4.707 7.460 ( 2.451 -4.018 0.000) 4.707 8.655 ( -8.589 12.527 0.000) 15.189 8.655 ( 8.589 12.527 0.000) 15.189 9.684 ( -1.685 7.292 0.000) 7.484 9.684 ( 1.685 7.292 0.000) 7.484 10.087 ( -17.245 -9.342 0.000) 19.613 10.087 ( 17.245 -9.342 0.000) 19.613 10.535 ( -2.969 -1.711 0.000) 3.427 10.535 ( 2.969 -1.711 0.000) 3.427 11.688 ( -0.098 4.837 0.000) 4.838 11.688 ( 0.098 4.837 0.000) 4.838 12.501 ( -2.757 -10.123 0.000) 10.492 12.501 ( 2.757 -10.123 0.000) 10.492 13.367 ( -6.983 8.659 0.000) 11.124 13.367 ( 6.983 8.659 0.000) 11.124 14.212 ( -3.874 -7.517 0.000) 8.456 14.212 ( 3.874 -7.517 0.000) 8.456 19.156 ( -8.389 16.839 0.000) 18.813 19.156 ( 8.389 16.839 0.000) 18.813 19.661 ( -1.740 3.434 0.000) 3.850 19.661 ( 1.740 3.434 0.000) 3.850 20.339 ( -4.955 -4.557 0.000) 6.732 20.339 ( 4.955 -4.557 0.000) 6.732 20.621 ( -19.012 -3.666 0.000) 19.363 20.621 ( 19.012 -3.666 0.000) 19.363 22.378 ( -1.410 2.806 0.000) 3.140 22.378 ( 1.410 2.806 0.000) 3.140 22.894 ( -0.401 -4.963 0.000) 4.979 22.894 ( 0.401 -4.963 0.000) 4.979 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.000 17.270 0.000) 17.270 1.219 ( 0.000 29.300 0.000) 29.300 1.331 ( 0.000 -6.679 0.000) 6.679 1.818 ( 0.000 32.127 0.000) 32.127 2.363 ( 0.000 -22.257 0.000) 22.257 2.449 ( 0.000 9.386 0.000) 9.386 2.453 ( 0.000 12.964 0.000) 12.964 2.619 ( 0.000 -0.160 0.000) 0.160 2.679 ( 0.000 0.825 0.000) 0.825 2.993 ( 0.000 -15.600 0.000) 15.600 3.071 ( 0.000 -7.305 0.000) 7.305 3.130 ( 0.000 -24.227 0.000) 24.227 3.460 ( 0.000 7.053 0.000) 7.053 3.602 ( 0.000 2.744 0.000) 2.744 3.648 ( 0.000 0.444 0.000) 0.444 3.849 ( 0.000 -9.135 0.000) 9.135 4.356 ( 0.000 -2.587 0.000) 2.587 4.371 ( 0.000 2.649 0.000) 2.649 4.386 ( 0.000 8.562 0.000) 8.562 4.513 ( 0.000 4.084 0.000) 4.084 5.117 ( 0.000 -2.175 0.000) 2.175 5.213 ( 0.000 5.048 0.000) 5.048 5.254 ( 0.000 -6.417 0.000) 6.417 5.304 ( 0.000 -1.454 0.000) 1.454 5.380 ( 0.000 12.040 0.000) 12.040 5.652 ( 0.000 21.236 0.000) 21.236 6.191 ( 0.000 -19.603 0.000) 19.603 6.231 ( 0.000 14.889 0.000) 14.889 6.489 ( 0.000 -16.404 0.000) 16.404 6.901 ( 0.000 -16.253 0.000) 16.253 7.583 ( 0.000 4.197 0.000) 4.197 7.855 ( 0.000 -7.208 0.000) 7.208 8.526 ( 0.000 16.987 0.000) 16.987 9.227 ( 0.000 -15.138 0.000) 15.138 9.545 ( 0.000 21.517 0.000) 21.517 9.869 ( 0.000 11.019 0.000) 11.019 10.008 ( 0.000 8.807 0.000) 8.807 10.291 ( 0.000 -3.525 0.000) 3.525 10.451 ( 0.000 -8.507 0.000) 8.507 10.549 ( 0.000 -16.818 0.000) 16.818 11.913 ( 0.000 4.421 0.000) 4.421 11.933 ( 0.000 11.185 0.000) 11.185 12.164 ( 0.000 -6.401 0.000) 6.401 12.427 ( 0.000 -10.619 0.000) 10.619 13.248 ( 0.000 1.722 0.000) 1.722 13.335 ( 0.000 -2.063 0.000) 2.063 13.755 ( 0.000 4.135 0.000) 4.135 13.896 ( 0.000 -2.257 0.000) 2.257 19.022 ( 0.000 7.701 0.000) 7.701 19.399 ( 0.000 -9.442 0.000) 9.442 19.733 ( 0.000 9.553 0.000) 9.553 19.951 ( 0.000 1.391 0.000) 1.391 19.957 ( 0.000 0.565 0.000) 0.565 20.196 ( 0.000 -11.232 0.000) 11.232 21.778 ( 0.000 6.938 0.000) 6.938 22.056 ( 0.000 -5.940 0.000) 5.940 22.337 ( 0.000 1.046 0.000) 1.046 22.355 ( 0.000 -0.035 0.000) 0.035 22.528 ( 0.000 6.567 0.000) 6.567 22.821 ( 0.000 -6.300 0.000) 6.300 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.12 0.33 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 22.221 10.725 0.000) 24.674 1.292 ( 7.011 27.231 0.000) 28.119 1.403 ( 7.501 -3.680 0.000) 8.356 1.915 ( 9.854 30.641 0.000) 32.187 2.379 ( 0.533 -17.918 0.000) 17.926 2.411 ( -3.193 10.304 0.000) 10.788 2.427 ( -2.318 9.575 0.000) 9.851 2.629 ( 0.754 -1.935 0.000) 2.076 2.718 ( 3.592 0.680 0.000) 3.656 2.977 ( -1.539 -15.572 0.000) 15.648 3.079 ( 1.066 -6.145 0.000) 6.237 3.186 ( 5.144 -23.906 0.000) 24.454 3.464 ( 0.422 6.044 0.000) 6.059 3.609 ( 0.806 2.493 0.000) 2.620 3.661 ( 1.378 0.501 0.000) 1.467 3.847 ( -0.288 -7.093 0.000) 7.099 4.221 ( -10.789 10.701 0.000) 15.196 4.357 ( 0.435 0.086 0.000) 0.444 4.394 ( 1.941 -0.168 0.000) 1.948 4.561 ( 0.399 -1.532 0.000) 1.583 4.955 ( -12.140 2.364 0.000) 12.368 5.144 ( -8.331 4.551 0.000) 9.493 5.203 ( -5.910 -6.137 0.000) 8.520 5.210 ( -6.078 -0.322 0.000) 6.086 5.425 ( 2.683 11.681 0.000) 11.985 5.674 ( 0.815 19.597 0.000) 19.614 6.204 ( 1.339 -18.884 0.000) 18.931 6.326 ( 8.917 8.747 0.000) 12.491 6.516 ( 2.165 -11.375 0.000) 11.579 6.989 ( 7.544 -15.061 0.000) 16.844 7.565 ( -1.815 3.331 0.000) 3.794 7.806 ( -4.835 -6.679 0.000) 8.246 8.587 ( 5.581 15.682 0.000) 16.645 9.189 ( -1.780 -10.245 0.000) 10.398 9.490 ( -5.170 21.043 0.000) 21.669 9.875 ( 0.350 10.946 0.000) 10.951 10.010 ( -0.335 7.910 0.000) 7.917 10.303 ( 1.316 -4.195 0.000) 4.396 10.412 ( -3.744 -10.824 0.000) 11.453 10.548 ( -0.363 -14.003 0.000) 14.008 11.897 ( -1.472 5.164 0.000) 5.370 11.917 ( -1.546 10.451 0.000) 10.565 12.176 ( 1.155 -7.121 0.000) 7.214 12.369 ( -4.006 -9.714 0.000) 10.508 13.231 ( 2.397 7.145 0.000) 7.536 13.561 ( 15.221 -11.485 0.000) 19.068 13.743 ( -1.177 4.831 0.000) 4.972 13.914 ( 1.681 -2.935 0.000) 3.382 19.050 ( 2.898 8.812 0.000) 9.277 19.458 ( 5.685 -9.689 0.000) 11.234 19.734 ( 0.102 9.334 0.000) 9.334 19.934 ( -0.016 2.399 0.000) 2.399 20.004 ( 3.069 -0.940 0.000) 3.209 20.178 ( -1.961 -10.091 0.000) 10.279 21.511 ( -39.124 16.711 0.000) 42.543 21.652 ( -12.136 3.623 0.000) 12.665 22.296 ( 2.169 3.474 0.000) 4.096 22.526 ( -0.270 6.526 0.000) 6.532 22.593 ( 7.621 -10.663 0.000) 13.107 22.818 ( -0.298 -6.337 0.000) 6.344 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.25 0.33 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 14.457 12.042 0.000) 18.815 1.477 ( 11.065 22.711 0.000) 25.263 1.645 ( 16.149 -3.531 0.000) 16.530 2.208 ( 18.571 24.454 0.000) 30.706 2.275 ( -7.832 12.832 0.000) 15.033 2.353 ( -4.913 10.955 0.000) 12.006 2.430 ( 1.485 -14.239 0.000) 14.316 2.639 ( 0.268 -8.282 0.000) 8.286 2.797 ( 3.613 1.259 0.000) 3.826 2.932 ( -3.005 -15.985 0.000) 16.265 3.136 ( 5.154 -4.218 0.000) 6.660 3.305 ( 5.858 -20.285 0.000) 21.114 3.481 ( 1.397 4.114 0.000) 4.345 3.640 ( 2.163 1.538 0.000) 2.654 3.706 ( 3.250 0.100 0.000) 3.252 3.835 ( -0.900 -0.598 0.000) 1.081 4.063 ( -3.244 3.257 0.000) 4.598 4.372 ( 0.844 1.564 0.000) 1.777 4.443 ( 2.825 -2.133 0.000) 3.540 4.481 ( -8.621 -9.333 0.000) 12.706 4.738 ( -8.150 9.378 0.000) 12.425 4.903 ( -14.567 4.922 0.000) 15.377 5.051 ( -8.564 -4.444 0.000) 9.649 5.058 ( -9.865 -2.861 0.000) 10.271 5.481 ( 3.045 14.936 0.000) 15.243 5.670 ( -0.968 19.448 0.000) 19.472 6.243 ( 2.514 -17.204 0.000) 17.387 6.453 ( 0.941 -14.536 0.000) 14.567 6.645 ( 12.423 9.521 0.000) 15.651 7.143 ( 7.130 -11.585 0.000) 13.603 7.514 ( -3.218 1.024 0.000) 3.377 7.668 ( -8.894 -5.064 0.000) 10.234 8.709 ( 5.924 15.367 0.000) 16.469 9.239 ( 7.764 -8.749 0.000) 11.697 9.354 ( -8.229 20.386 0.000) 21.984 9.874 ( -0.628 9.301 0.000) 9.322 9.989 ( -1.426 9.077 0.000) 9.189 10.305 ( -6.916 -12.036 0.000) 13.882 10.342 ( 2.364 -5.613 0.000) 6.090 10.530 ( -1.454 -10.480 0.000) 10.580 11.863 ( -1.732 6.682 0.000) 6.903 11.878 ( -2.068 9.385 0.000) 9.610 12.205 ( 1.635 -8.779 0.000) 8.930 12.311 ( -1.830 -10.927 0.000) 11.080 13.326 ( 6.230 10.487 0.000) 12.198 13.710 ( -2.147 6.525 0.000) 6.869 13.829 ( 10.652 -15.905 0.000) 19.142 13.956 ( 2.342 -4.683 0.000) 5.236 19.141 ( 6.430 11.690 0.000) 13.342 19.601 ( 7.672 -8.183 0.000) 11.217 19.736 ( 0.069 8.677 0.000) 8.677 19.968 ( 4.179 1.275 0.000) 4.369 20.074 ( 3.982 -2.843 0.000) 4.892 20.102 ( -6.519 -3.553 0.000) 7.424 20.790 ( -29.861 24.078 0.000) 38.359 21.328 ( -19.566 -2.716 0.000) 19.753 22.352 ( 3.172 4.278 0.000) 5.325 22.517 ( -0.663 6.366 0.000) 6.401 22.683 ( 2.642 -10.780 0.000) 11.099 22.808 ( -0.720 -6.477 0.000) 6.517 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.38 0.33 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 10.709 15.678 0.000) 18.986 1.706 ( 10.947 17.982 0.000) 21.052 1.964 ( 14.694 -3.295 0.000) 15.059 2.105 ( -8.582 15.424 0.000) 17.651 2.212 ( -8.153 12.337 0.000) 14.788 2.399 ( -5.386 -6.579 0.000) 8.502 2.594 ( 16.576 15.476 0.000) 22.678 2.669 ( 3.396 -16.914 0.000) 17.252 2.843 ( 0.759 4.374 0.000) 4.440 2.857 ( -4.461 -17.109 0.000) 17.681 3.278 ( 8.240 -6.366 0.000) 10.412 3.400 ( 3.727 -15.203 0.000) 15.653 3.524 ( 2.917 3.351 0.000) 4.443 3.651 ( -1.940 6.772 0.000) 7.044 3.791 ( 5.231 -1.677 0.000) 5.494 3.836 ( 2.283 -0.340 0.000) 2.308 4.109 ( 3.903 -7.217 0.000) 8.205 4.294 ( -4.985 -5.588 0.000) 7.488 4.343 ( -7.259 2.189 0.000) 7.581 4.479 ( -0.141 0.393 0.000) 0.417 4.625 ( -4.029 8.275 0.000) 9.204 4.658 ( -5.271 2.252 0.000) 5.732 4.824 ( -12.814 -4.422 0.000) 13.556 4.881 ( -8.270 -3.649 0.000) 9.039 5.544 ( 3.128 17.688 0.000) 17.962 5.643 ( -1.715 20.125 0.000) 20.198 6.301 ( 3.260 -15.571 0.000) 15.909 6.428 ( -2.472 -15.295 0.000) 15.494 6.923 ( 14.431 6.805 0.000) 15.954 7.265 ( 5.239 -8.143 0.000) 9.683 7.437 ( -5.420 -1.700 0.000) 5.681 7.463 ( -10.372 -2.591 0.000) 10.691 8.831 ( 6.855 17.058 0.000) 18.384 9.175 ( -9.468 19.707 0.000) 21.864 9.467 ( 13.557 -12.523 0.000) 18.455 9.842 ( -2.989 2.747 0.000) 4.060 9.970 ( -0.165 11.193 0.000) 11.194 10.144 ( -8.809 -6.583 0.000) 10.996 10.392 ( 2.596 -6.624 0.000) 7.114 10.492 ( -2.243 -8.378 0.000) 8.673 11.835 ( -0.956 7.902 0.000) 7.960 11.843 ( -1.348 8.794 0.000) 8.896 12.237 ( 1.567 -10.597 0.000) 10.712 12.286 ( -0.969 -12.166 0.000) 12.205 13.455 ( 6.421 11.521 0.000) 13.189 13.655 ( -3.431 8.646 0.000) 9.302 13.976 ( 4.395 -14.099 0.000) 14.768 14.000 ( 1.826 -7.255 0.000) 7.482 19.308 ( 10.338 15.504 0.000) 18.634 19.716 ( 3.382 -0.764 0.000) 3.468 19.729 ( -1.510 8.422 0.000) 8.557 19.889 ( -13.686 13.105 0.000) 18.949 20.123 ( 8.923 -4.686 0.000) 10.079 20.176 ( 8.915 -5.025 0.000) 10.234 20.388 ( -11.420 5.435 0.000) 12.647 20.909 ( -21.740 -7.617 0.000) 23.036 22.414 ( 2.895 4.913 0.000) 5.703 22.498 ( -1.281 6.022 0.000) 6.156 22.725 ( 1.830 -9.022 0.000) 9.205 22.788 ( -1.233 -6.826 0.000) 6.937 ======================= Grid point 22 (15/100) ======================= q-point: (-0.50 0.33 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -5.410 15.604 0.000) 16.515 1.799 ( 5.410 15.604 0.000) 16.515 2.041 ( -5.736 15.136 0.000) 16.186 2.041 ( 5.736 15.136 0.000) 16.186 2.229 ( -10.998 -3.352 0.000) 11.497 2.229 ( 10.998 -3.352 0.000) 11.497 2.759 ( -4.973 -17.236 0.000) 17.939 2.759 ( 4.973 -17.236 0.000) 17.939 2.809 ( -5.026 7.512 0.000) 9.039 2.809 ( 5.026 7.512 0.000) 9.039 3.412 ( -3.747 -12.654 0.000) 13.197 3.412 ( 3.747 -12.654 0.000) 13.197 3.589 ( -3.445 6.732 0.000) 7.562 3.589 ( 3.445 6.732 0.000) 7.562 3.893 ( -2.222 -5.068 0.000) 5.533 3.893 ( 2.222 -5.068 0.000) 5.533 4.112 ( -7.848 4.808 0.000) 9.203 4.112 ( 7.848 4.808 0.000) 9.203 4.427 ( -8.880 -5.178 0.000) 10.280 4.427 ( 8.880 -5.178 0.000) 10.280 4.586 ( -2.302 3.043 0.000) 3.816 4.586 ( 2.302 3.043 0.000) 3.816 4.735 ( -5.522 -2.589 0.000) 6.099 4.735 ( 5.522 -2.589 0.000) 6.099 5.601 ( -2.490 19.601 0.000) 19.758 5.601 ( 2.490 19.601 0.000) 19.758 6.368 ( -3.330 -14.829 0.000) 15.198 6.368 ( 3.330 -14.829 0.000) 15.198 7.203 ( -13.553 1.892 0.000) 13.685 7.203 ( 13.553 1.892 0.000) 13.685 7.360 ( -4.433 -5.219 0.000) 6.847 7.360 ( 4.433 -5.219 0.000) 6.847 8.989 ( -8.910 18.634 0.000) 20.655 8.989 ( 8.910 18.634 0.000) 20.655 9.718 ( -10.189 -11.267 0.000) 15.191 9.718 ( 10.189 -11.267 0.000) 15.191 10.002 ( -4.188 8.131 0.000) 9.147 10.002 ( 4.188 8.131 0.000) 9.147 10.444 ( -2.562 -7.345 0.000) 7.779 10.444 ( 2.562 -7.345 0.000) 7.779 11.827 ( -0.214 8.484 0.000) 8.486 11.827 ( 0.214 8.484 0.000) 8.486 12.265 ( -1.196 -11.938 0.000) 11.998 12.265 ( 1.196 -11.938 0.000) 11.998 13.571 ( -5.058 10.595 0.000) 11.740 13.571 ( 5.058 10.595 0.000) 11.740 14.019 ( -0.240 -10.558 0.000) 10.560 14.019 ( 0.240 -10.558 0.000) 10.560 19.550 ( -13.646 18.310 0.000) 22.836 19.550 ( 13.646 18.310 0.000) 22.836 19.755 ( -1.416 5.139 0.000) 5.331 19.755 ( 1.416 5.139 0.000) 5.331 20.239 ( -5.397 -3.715 0.000) 6.552 20.239 ( 5.397 -3.715 0.000) 6.552 20.491 ( -19.546 -8.935 0.000) 21.492 20.491 ( 19.546 -8.935 0.000) 21.492 22.464 ( -2.113 5.502 0.000) 5.894 22.464 ( 2.113 5.502 0.000) 5.894 22.760 ( -1.629 -7.606 0.000) 7.779 22.760 ( 1.629 -7.606 0.000) 7.779 ======================= Grid point 27 (16/100) ======================= 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 -16.146 0.000) 16.146 1.056 ( 0.000 16.146 0.000) 16.146 1.815 ( 0.000 -28.385 0.000) 28.385 1.815 ( 0.000 28.385 0.000) 28.385 2.520 ( 0.000 -30.182 0.000) 30.182 2.520 ( 0.000 30.182 0.000) 30.182 2.604 ( 0.000 -2.079 0.000) 2.079 2.604 ( 0.000 2.079 0.000) 2.079 2.699 ( 0.000 -10.575 0.000) 10.575 2.699 ( 0.000 10.575 0.000) 10.575 2.853 ( 0.000 -12.503 0.000) 12.503 2.853 ( 0.000 12.503 0.000) 12.503 3.604 ( 0.000 -5.391 0.000) 5.391 3.604 ( 0.000 5.391 0.000) 5.391 3.691 ( 0.000 -6.008 0.000) 6.008 3.691 ( 0.000 6.008 0.000) 6.008 4.351 ( 0.000 -2.013 0.000) 2.013 4.351 ( 0.000 2.013 0.000) 2.013 4.521 ( 0.000 -3.728 0.000) 3.728 4.521 ( 0.000 3.728 0.000) 3.728 5.134 ( 0.000 -4.159 0.000) 4.159 5.134 ( 0.000 4.159 0.000) 4.159 5.272 ( 0.000 -1.736 0.000) 1.736 5.272 ( 0.000 1.736 0.000) 1.736 5.756 ( 0.000 -21.501 0.000) 21.501 5.756 ( 0.000 21.501 0.000) 21.501 6.098 ( 0.000 -20.984 0.000) 20.984 6.098 ( 0.000 20.984 0.000) 20.984 6.559 ( 0.000 -16.607 0.000) 16.607 6.559 ( 0.000 16.607 0.000) 16.607 7.702 ( 0.000 -7.043 0.000) 7.043 7.702 ( 0.000 7.043 0.000) 7.043 8.886 ( 0.000 -17.470 0.000) 17.470 8.886 ( 0.000 17.470 0.000) 17.470 9.948 ( 0.000 -11.731 0.000) 11.731 9.948 ( 0.000 11.731 0.000) 11.731 10.179 ( 0.000 -7.226 0.000) 7.226 10.179 ( 0.000 7.226 0.000) 7.226 10.298 ( 0.000 -1.052 0.000) 1.052 10.298 ( 0.000 1.052 0.000) 1.052 12.028 ( 0.000 -6.415 0.000) 6.415 12.028 ( 0.000 6.415 0.000) 6.415 12.183 ( 0.000 -12.543 0.000) 12.543 12.183 ( 0.000 12.543 0.000) 12.543 13.289 ( 0.000 -2.236 0.000) 2.236 13.289 ( 0.000 2.236 0.000) 2.236 13.836 ( 0.000 -3.528 0.000) 3.528 13.836 ( 0.000 3.528 0.000) 3.528 19.201 ( 0.000 -9.434 0.000) 9.434 19.201 ( 0.000 9.434 0.000) 9.434 19.955 ( 0.000 -11.680 0.000) 11.680 19.955 ( 0.000 11.680 0.000) 11.680 19.964 ( 0.000 -0.010 0.000) 0.010 19.964 ( 0.000 0.010 0.000) 0.010 21.923 ( 0.000 -6.891 0.000) 6.891 21.923 ( 0.000 6.891 0.000) 6.891 22.351 ( 0.000 -0.386 0.000) 0.386 22.351 ( 0.000 0.386 0.000) 0.386 22.676 ( 0.000 -7.424 0.000) 7.424 22.676 ( 0.000 7.424 0.000) 7.424 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.12 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 14.579 -10.960 0.000) 18.239 1.221 ( 14.579 10.960 0.000) 18.239 1.857 ( 4.094 -27.245 0.000) 27.551 1.857 ( 4.094 27.245 0.000) 27.551 2.582 ( 5.633 -25.583 0.000) 26.196 2.582 ( 5.633 25.583 0.000) 26.196 2.585 ( -2.154 -3.549 0.000) 4.151 2.585 ( -2.154 3.549 0.000) 4.151 2.687 ( -0.828 -8.854 0.000) 8.893 2.687 ( -0.828 8.854 0.000) 8.893 2.873 ( 2.222 -11.678 0.000) 11.887 2.873 ( 2.222 11.678 0.000) 11.887 3.609 ( 0.591 -5.958 0.000) 5.987 3.609 ( 0.591 5.958 0.000) 5.987 3.700 ( 0.856 -6.161 0.000) 6.220 3.700 ( 0.856 6.161 0.000) 6.220 4.364 ( 1.228 -2.035 0.000) 2.376 4.364 ( 1.228 2.035 0.000) 2.376 4.438 ( -7.714 -9.312 0.000) 12.092 4.438 ( -7.714 9.312 0.000) 12.092 5.060 ( -6.337 -6.916 0.000) 9.380 5.060 ( -6.337 6.916 0.000) 9.380 5.196 ( -7.412 -1.143 0.000) 7.499 5.196 ( -7.412 1.143 0.000) 7.499 5.785 ( 2.704 -20.688 0.000) 20.864 5.785 ( 2.704 20.688 0.000) 20.864 6.094 ( -0.309 -19.826 0.000) 19.828 6.094 ( -0.309 19.826 0.000) 19.828 6.671 ( 9.815 -15.143 0.000) 18.045 6.671 ( 9.815 15.143 0.000) 18.045 7.667 ( -3.503 -6.289 0.000) 7.199 7.667 ( -3.503 6.289 0.000) 7.199 8.913 ( 2.898 -15.353 0.000) 15.624 8.913 ( 2.898 15.353 0.000) 15.624 9.901 ( -4.629 -14.666 0.000) 15.380 9.901 ( -4.629 14.666 0.000) 15.380 10.179 ( 0.085 -7.635 0.000) 7.636 10.179 ( 0.085 7.635 0.000) 7.636 10.301 ( 0.163 -7.103 0.000) 7.105 10.301 ( 0.163 7.103 0.000) 7.105 12.026 ( -0.165 -7.082 0.000) 7.084 12.026 ( -0.165 7.082 0.000) 7.084 12.148 ( -2.974 -11.438 0.000) 11.819 12.148 ( -2.974 11.438 0.000) 11.819 13.376 ( 7.716 -7.389 0.000) 10.683 13.376 ( 7.716 7.389 0.000) 10.683 13.839 ( 0.253 -4.292 0.000) 4.299 13.839 ( 0.253 4.292 0.000) 4.299 19.250 ( 4.835 -10.235 0.000) 11.320 19.250 ( 4.835 10.235 0.000) 11.320 19.951 ( -0.506 -11.299 0.000) 11.310 19.951 ( -0.506 11.299 0.000) 11.310 19.976 ( 1.204 -1.704 0.000) 2.087 19.976 ( 1.204 1.704 0.000) 2.087 21.680 ( -21.310 -1.931 0.000) 21.398 21.680 ( -21.310 1.931 0.000) 21.398 22.407 ( 3.947 -7.343 0.000) 8.336 22.407 ( 3.947 7.343 0.000) 8.336 22.673 ( -0.332 -7.415 0.000) 7.423 22.673 ( -0.332 7.415 0.000) 7.423 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.25 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 16.771 -5.898 0.000) 17.778 1.549 ( 16.771 5.898 0.000) 17.778 1.968 ( 6.707 -24.134 0.000) 25.049 1.968 ( 6.707 24.134 0.000) 25.049 2.510 ( -5.339 -6.760 0.000) 8.614 2.510 ( -5.339 6.760 0.000) 8.614 2.607 ( -3.563 -14.681 0.000) 15.108 2.607 ( -3.563 14.681 0.000) 15.108 2.790 ( 10.796 -27.694 0.000) 29.724 2.790 ( 10.796 27.694 0.000) 29.724 2.943 ( 4.599 -10.906 0.000) 11.836 2.943 ( 4.599 10.906 0.000) 11.836 3.632 ( 1.862 -7.263 0.000) 7.498 3.632 ( 1.862 7.263 0.000) 7.498 3.728 ( 2.173 -6.327 0.000) 6.690 3.728 ( 2.173 6.327 0.000) 6.690 4.258 ( -9.099 -11.721 0.000) 14.839 4.258 ( -9.099 11.721 0.000) 14.839 4.396 ( 1.886 -2.214 0.000) 2.909 4.396 ( 1.886 2.214 0.000) 2.909 4.919 ( -7.389 -7.842 0.000) 10.775 4.919 ( -7.389 7.842 0.000) 10.775 4.992 ( -12.588 -3.649 0.000) 13.106 4.992 ( -12.588 3.649 0.000) 13.106 5.854 ( 3.991 -19.700 0.000) 20.101 5.854 ( 3.991 19.700 0.000) 20.101 6.085 ( -0.706 -19.822 0.000) 19.834 6.085 ( -0.706 19.822 0.000) 19.834 6.887 ( 10.836 -12.747 0.000) 16.730 6.887 ( 10.836 12.747 0.000) 16.730 7.568 ( -6.245 -4.091 0.000) 7.466 7.568 ( -6.245 4.091 0.000) 7.466 9.007 ( 6.617 -13.303 0.000) 14.858 9.007 ( 6.617 13.303 0.000) 14.858 9.774 ( -7.904 -18.130 0.000) 19.778 9.774 ( -7.904 18.130 0.000) 19.778 10.186 ( 0.656 -9.166 0.000) 9.189 10.186 ( 0.656 9.166 0.000) 9.189 10.298 ( -0.655 -10.534 0.000) 10.554 10.298 ( -0.655 10.534 0.000) 10.554 12.022 ( -0.144 -8.570 0.000) 8.572 12.022 ( -0.144 8.570 0.000) 8.572 12.088 ( -2.651 -10.666 0.000) 10.991 12.088 ( -2.651 10.666 0.000) 10.991 13.550 ( 8.793 -11.725 0.000) 14.656 13.550 ( 8.793 11.725 0.000) 14.656 13.843 ( 0.037 -6.150 0.000) 6.150 13.843 ( 0.037 6.150 0.000) 6.150 19.390 ( 9.097 -11.759 0.000) 14.867 19.390 ( 9.097 11.759 0.000) 14.867 19.934 ( -1.287 -9.975 0.000) 10.058 19.934 ( -1.287 9.975 0.000) 10.058 20.014 ( 2.620 -2.837 0.000) 3.861 20.014 ( 2.620 2.837 0.000) 3.861 21.180 ( -26.939 -12.554 0.000) 29.720 21.180 ( -26.939 12.554 0.000) 29.720 22.482 ( 3.479 -8.281 0.000) 8.982 22.482 ( 3.479 8.281 0.000) 8.982 22.662 ( -0.823 -7.386 0.000) 7.432 22.662 ( -0.823 7.386 0.000) 7.432 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.38 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 13.499 -7.775 0.000) 15.578 1.853 ( 13.499 7.775 0.000) 15.578 2.099 ( 5.170 -18.419 0.000) 19.131 2.099 ( 5.170 18.419 0.000) 19.131 2.391 ( -5.420 -10.052 0.000) 11.420 2.391 ( -5.420 10.052 0.000) 11.420 2.507 ( -6.057 -16.108 0.000) 17.209 2.507 ( -6.057 16.108 0.000) 17.209 2.998 ( 8.292 -21.672 0.000) 23.204 2.998 ( 8.292 21.672 0.000) 23.204 3.036 ( 4.154 -12.838 0.000) 13.494 3.036 ( 4.154 12.838 0.000) 13.494 3.685 ( 3.481 -8.150 0.000) 8.862 3.685 ( 3.481 8.150 0.000) 8.862 3.781 ( 2.085 -6.093 0.000) 6.440 3.781 ( 2.085 6.093 0.000) 6.440 4.135 ( -1.197 -8.082 0.000) 8.170 4.135 ( -1.197 8.082 0.000) 8.170 4.415 ( -1.748 -4.433 0.000) 4.765 4.415 ( -1.748 4.433 0.000) 4.765 4.736 ( -10.803 -4.155 0.000) 11.575 4.736 ( -10.803 4.155 0.000) 11.575 4.777 ( -6.625 -6.277 0.000) 9.126 4.777 ( -6.625 6.277 0.000) 9.126 5.937 ( 4.132 -19.250 0.000) 19.689 5.937 ( 4.132 19.250 0.000) 19.689 6.062 ( -1.793 -19.711 0.000) 19.792 6.062 ( -1.793 19.711 0.000) 19.792 7.087 ( 9.291 -8.708 0.000) 12.734 7.087 ( 9.291 8.708 0.000) 12.734 7.426 ( -7.831 -0.745 0.000) 7.866 7.426 ( -7.831 0.745 0.000) 7.866 9.173 ( 9.775 -15.743 0.000) 18.531 9.173 ( 9.775 15.743 0.000) 18.531 9.593 ( -10.054 -19.581 0.000) 22.011 9.593 ( -10.054 19.581 0.000) 22.011 10.207 ( 1.415 -10.927 0.000) 11.018 10.207 ( 1.415 10.927 0.000) 11.018 10.275 ( -1.557 -11.787 0.000) 11.889 10.275 ( -1.557 11.787 0.000) 11.889 12.022 ( 0.106 -10.007 0.000) 10.007 12.022 ( 0.106 10.007 0.000) 10.007 12.048 ( -1.448 -10.858 0.000) 10.954 12.048 ( -1.448 10.858 0.000) 10.954 13.702 ( 6.205 -12.525 0.000) 13.978 13.702 ( 6.205 12.525 0.000) 13.978 13.835 ( -1.046 -8.553 0.000) 8.617 13.835 ( -1.046 8.553 0.000) 8.617 19.598 ( 11.180 -11.078 0.000) 15.739 19.598 ( 11.180 11.078 0.000) 15.739 19.893 ( -3.040 -6.920 0.000) 7.558 19.893 ( -3.040 6.920 0.000) 7.558 20.091 ( 5.795 -2.168 0.000) 6.188 20.091 ( 5.795 2.168 0.000) 6.188 20.668 ( -23.435 -15.431 0.000) 28.059 20.668 ( -23.435 15.431 0.000) 28.059 22.546 ( 3.014 -7.832 0.000) 8.392 22.546 ( 3.014 7.832 0.000) 8.392 22.639 ( -1.531 -7.365 0.000) 7.523 22.639 ( -1.531 7.365 0.000) 7.523 ======================= Grid point 35 (20/100) ======================= 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -7.992 -10.101 0.000) 12.880 2.075 ( 7.992 -10.101 0.000) 12.880 2.075 ( -7.992 10.101 0.000) 12.880 2.075 ( 7.992 10.101 0.000) 12.880 2.386 ( -5.024 -16.913 0.000) 17.643 2.386 ( 5.024 -16.913 0.000) 17.643 2.386 ( -5.024 16.913 0.000) 17.643 2.386 ( 5.024 16.913 0.000) 17.643 3.082 ( -0.320 -16.542 0.000) 16.545 3.082 ( 0.320 -16.542 0.000) 16.545 3.082 ( -0.320 16.542 0.000) 16.545 3.082 ( 0.320 16.542 0.000) 16.545 3.761 ( -3.515 -7.810 0.000) 8.565 3.761 ( 3.515 -7.810 0.000) 8.565 3.761 ( -3.515 7.810 0.000) 8.565 3.761 ( 3.515 7.810 0.000) 8.565 4.257 ( -11.266 -8.789 0.000) 14.289 4.257 ( 11.266 -8.789 0.000) 14.289 4.257 ( -11.266 8.789 0.000) 14.289 4.257 ( 11.266 8.789 0.000) 14.289 4.672 ( -3.088 -3.794 0.000) 4.892 4.672 ( 3.088 -3.794 0.000) 4.892 4.672 ( -3.088 3.794 0.000) 4.892 4.672 ( 3.088 3.794 0.000) 4.892 6.011 ( -3.235 -19.328 0.000) 19.597 6.011 ( 3.235 -19.328 0.000) 19.597 6.011 ( -3.235 19.328 0.000) 19.597 6.011 ( 3.235 19.328 0.000) 19.597 7.262 ( -8.499 -3.916 0.000) 9.358 7.262 ( -8.499 3.916 0.000) 9.358 7.262 ( 8.499 -3.916 0.000) 9.358 7.262 ( 8.499 3.916 0.000) 9.358 9.382 ( -10.898 -18.725 0.000) 21.665 9.382 ( 10.898 -18.725 0.000) 21.665 9.382 ( -10.898 18.725 0.000) 21.665 9.382 ( 10.898 18.725 0.000) 21.665 10.240 ( -1.831 -11.870 0.000) 12.011 10.240 ( 1.831 -11.870 0.000) 12.011 10.240 ( -1.831 11.870 0.000) 12.011 10.240 ( 1.831 11.870 0.000) 12.011 12.028 ( -0.595 -10.810 0.000) 10.826 12.028 ( 0.595 -10.810 0.000) 10.826 12.028 ( -0.595 10.810 0.000) 10.826 12.028 ( 0.595 10.810 0.000) 10.826 13.794 ( -3.200 -10.980 0.000) 11.437 13.794 ( 3.200 -10.980 0.000) 11.437 13.794 ( -3.200 10.980 0.000) 11.437 13.794 ( 3.200 10.980 0.000) 11.437 19.794 ( -7.501 -4.210 0.000) 8.602 19.794 ( 7.501 -4.210 0.000) 8.602 19.794 ( -7.501 4.210 0.000) 8.602 19.794 ( 7.501 4.210 0.000) 8.602 20.284 ( -14.485 -8.895 0.000) 16.998 20.284 ( 14.485 -8.895 0.000) 16.998 20.284 ( -14.485 8.895 0.000) 16.998 20.284 ( 14.485 8.895 0.000) 16.998 22.600 ( -2.338 -7.469 0.000) 7.826 22.600 ( 2.338 -7.469 0.000) 7.826 22.600 ( -2.338 7.469 0.000) 7.826 22.600 ( 2.338 7.469 0.000) 7.826 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 0.000 0.000 22.907) 22.907 0.615 ( 0.000 0.000 29.010) 29.010 1.021 ( 0.000 0.000 48.246) 48.246 1.697 ( 0.000 0.000 7.896) 7.896 2.120 ( 0.000 0.000 4.383) 4.383 2.385 ( 0.000 0.000 12.898) 12.898 2.388 ( 0.000 0.000 -5.144) 5.144 2.583 ( 0.000 0.000 -4.156) 4.156 2.902 ( 0.000 0.000 -14.025) 14.025 3.109 ( 0.000 0.000 -11.180) 11.180 3.320 ( 0.000 0.000 -2.723) 2.723 3.415 ( 0.000 0.000 6.047) 6.047 3.445 ( 0.000 0.000 -18.374) 18.374 3.612 ( 0.000 0.000 4.228) 4.228 3.644 ( 0.000 0.000 -17.412) 17.412 3.827 ( 0.000 0.000 4.235) 4.235 3.861 ( 0.000 0.000 10.895) 10.895 4.120 ( 0.000 0.000 2.485) 2.485 4.340 ( 0.000 0.000 12.955) 12.955 4.597 ( 0.000 0.000 15.857) 15.857 5.029 ( 0.000 0.000 -1.275) 1.275 5.060 ( 0.000 0.000 -6.265) 6.265 5.175 ( 0.000 0.000 -5.210) 5.210 5.239 ( 0.000 0.000 -4.591) 4.591 5.370 ( 0.000 0.000 -3.908) 3.908 5.577 ( 0.000 0.000 -6.334) 6.334 5.908 ( 0.000 0.000 7.492) 7.492 6.654 ( 0.000 0.000 -0.381) 0.381 6.846 ( 0.000 0.000 -0.346) 0.346 7.399 ( 0.000 0.000 3.513) 3.513 7.538 ( 0.000 0.000 1.176) 1.176 8.124 ( 0.000 0.000 6.495) 6.495 8.506 ( 0.000 0.000 -6.622) 6.622 8.825 ( 0.000 0.000 -11.470) 11.470 8.868 ( 0.000 0.000 -11.967) 11.967 9.734 ( 0.000 0.000 -3.723) 3.723 9.883 ( 0.000 0.000 -4.711) 4.711 10.383 ( 0.000 0.000 4.394) 4.394 10.639 ( 0.000 0.000 0.041) 0.041 10.841 ( 0.000 0.000 -8.806) 8.806 11.710 ( 0.000 0.000 3.245) 3.245 11.845 ( 0.000 0.000 0.985) 0.985 12.374 ( 0.000 0.000 4.968) 4.968 12.727 ( 0.000 0.000 5.743) 5.743 12.841 ( 0.000 0.000 1.311) 1.311 13.371 ( 0.000 0.000 -0.926) 0.926 13.916 ( 0.000 0.000 -2.325) 2.325 14.096 ( 0.000 0.000 -3.381) 3.381 18.857 ( 0.000 0.000 1.089) 1.089 19.266 ( 0.000 0.000 7.729) 7.729 19.562 ( 0.000 0.000 4.011) 4.011 19.645 ( 0.000 0.000 -2.531) 2.531 19.892 ( 0.000 0.000 2.887) 2.887 20.559 ( 0.000 0.000 7.718) 7.718 21.513 ( 0.000 0.000 -7.819) 7.819 22.211 ( 0.000 0.000 -2.235) 2.235 22.351 ( 0.000 0.000 0.611) 0.611 22.430 ( 0.000 0.000 3.967) 3.967 22.578 ( 0.000 0.000 -1.028) 1.028 23.162 ( 0.000 0.000 -1.551) 1.551 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.12 0.00 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 14.573 0.000 16.264) 21.838 0.707 ( 8.380 0.000 24.328) 25.731 1.335 ( 26.919 0.000 35.738) 44.743 1.726 ( 3.176 0.000 7.230) 7.897 2.070 ( -5.203 0.000 4.990) 7.210 2.365 ( -3.034 0.000 8.844) 9.350 2.430 ( 4.037 0.000 -5.549) 6.862 2.626 ( 3.486 0.000 -1.805) 3.926 2.882 ( -1.839 0.000 -13.036) 13.165 3.148 ( 3.381 0.000 -10.117) 10.667 3.302 ( -1.348 0.000 -1.179) 1.791 3.423 ( 0.796 0.000 2.356) 2.487 3.450 ( 0.692 0.000 -17.626) 17.639 3.509 ( -5.396 0.000 -0.777) 5.451 3.671 ( 2.595 0.000 -17.244) 17.438 3.791 ( -1.176 0.000 8.076) 8.161 3.979 ( 9.062 0.000 6.925) 11.406 4.215 ( 4.890 0.000 1.436) 5.097 4.329 ( -0.107 0.000 13.581) 13.581 4.619 ( 0.560 0.000 10.298) 10.313 4.957 ( -5.994 0.000 -3.833) 7.115 5.088 ( -0.596 0.000 -0.380) 0.706 5.103 ( -9.494 0.000 -5.525) 10.985 5.182 ( -2.981 0.000 -2.832) 4.112 5.294 ( -6.566 0.000 -2.768) 7.125 5.480 ( -7.871 0.000 -1.830) 8.081 6.047 ( 14.080 0.000 5.104) 14.977 6.650 ( -0.293 0.000 -0.332) 0.443 6.845 ( -0.271 0.000 -0.082) 0.283 7.413 ( 1.333 0.000 3.287) 3.547 7.568 ( 1.891 0.000 1.538) 2.438 8.116 ( 0.010 0.000 2.364) 2.364 8.270 ( -17.283 0.000 7.629) 18.892 8.825 ( -3.650 0.000 -12.262) 12.794 8.975 ( 13.409 0.000 -8.557) 15.907 9.635 ( -5.173 0.000 2.286) 5.656 9.836 ( -3.964 0.000 -5.457) 6.745 10.398 ( 1.885 0.000 3.294) 3.795 10.651 ( 0.072 0.000 0.858) 0.861 10.804 ( -3.854 0.000 -9.023) 9.811 11.704 ( -0.567 0.000 3.171) 3.221 11.829 ( -1.546 0.000 2.904) 3.290 12.394 ( 1.978 0.000 3.828) 4.309 12.775 ( 4.937 0.000 5.034) 7.051 12.826 ( -1.529 0.000 1.139) 1.906 13.518 ( 6.222 0.000 -6.603) 9.073 13.914 ( 1.231 0.000 -3.995) 4.181 14.185 ( 5.764 0.000 -14.147) 15.276 18.860 ( 0.429 0.000 1.500) 1.560 19.242 ( -2.275 0.000 7.113) 7.468 19.569 ( 0.688 0.000 4.166) 4.223 19.730 ( 8.152 0.000 -2.491) 8.524 19.896 ( 0.101 0.000 3.117) 3.118 20.536 ( -2.603 0.000 10.109) 10.438 21.260 ( -50.968 0.000 43.798) 67.202 21.441 ( -7.043 0.000 -7.576) 10.344 22.251 ( 1.348 0.000 0.507) 1.440 22.390 ( -0.201 0.000 1.426) 1.440 22.868 ( 5.560 0.000 -4.144) 6.934 23.117 ( -3.018 0.000 2.729) 4.068 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.25 0.00 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 11.453 0.000 17.215) 20.676 0.990 ( 19.273 0.000 9.371) 21.430 1.834 ( 7.684 0.000 5.582) 9.497 1.917 ( -9.742 0.000 5.877) 11.377 1.938 ( 31.123 0.000 22.054) 38.145 2.250 ( -8.408 0.000 8.560) 11.998 2.514 ( 2.605 0.000 -4.830) 5.488 2.701 ( 3.886 0.000 -1.026) 4.019 2.846 ( -0.658 0.000 -10.984) 11.003 3.182 ( -1.495 0.000 -6.348) 6.521 3.320 ( 4.416 0.000 -3.214) 5.462 3.441 ( -1.709 0.000 -9.168) 9.326 3.446 ( 1.414 0.000 -2.663) 3.016 3.479 ( 2.231 0.000 -15.892) 16.048 3.739 ( 3.808 0.000 -16.903) 17.327 3.790 ( 1.350 0.000 8.880) 8.982 4.200 ( 12.583 0.000 5.740) 13.830 4.254 ( 0.403 0.000 8.764) 8.773 4.366 ( 1.918 0.000 9.200) 9.398 4.607 ( -0.654 0.000 2.956) 3.028 4.769 ( -13.325 0.000 -1.944) 13.466 4.833 ( -16.094 0.000 -3.306) 16.430 4.990 ( -7.223 0.000 6.312) 9.592 5.113 ( -4.664 0.000 -1.894) 5.034 5.199 ( -2.577 0.000 -1.409) 2.937 5.338 ( -6.366 0.000 1.293) 6.496 6.399 ( 19.804 0.000 3.191) 20.060 6.648 ( 0.223 0.000 -0.161) 0.275 6.825 ( -1.884 0.000 0.477) 1.943 7.449 ( 2.265 0.000 3.287) 3.992 7.584 ( -0.556 0.000 2.802) 2.857 7.941 ( -15.607 0.000 9.737) 18.396 8.149 ( 3.561 0.000 -3.743) 5.167 8.721 ( -6.625 0.000 -12.052) 13.753 9.315 ( 19.685 0.000 -6.046) 20.592 9.572 ( -1.620 0.000 0.799) 1.806 9.743 ( -5.052 0.000 -4.196) 6.568 10.449 ( 2.926 0.000 2.102) 3.603 10.637 ( -1.249 0.000 1.666) 2.082 10.681 ( -8.745 0.000 -9.147) 12.654 11.692 ( -0.462 0.000 3.601) 3.630 11.789 ( -2.338 0.000 5.983) 6.424 12.450 ( 3.615 0.000 1.787) 4.032 12.781 ( -2.920 0.000 0.721) 3.008 12.913 ( 8.505 0.000 3.522) 9.205 13.535 ( -3.077 0.000 -0.604) 3.135 13.974 ( 4.231 0.000 -7.588) 8.688 14.251 ( 0.711 0.000 -17.877) 17.892 18.881 ( 1.801 0.000 2.410) 3.009 19.181 ( -3.669 0.000 6.167) 7.176 19.592 ( 1.741 0.000 4.637) 4.953 19.878 ( -2.384 0.000 6.124) 6.572 19.951 ( 13.634 0.000 -2.941) 13.947 20.443 ( -5.698 0.000 18.721) 19.569 20.686 ( -11.970 0.000 17.214) 20.967 21.241 ( -12.790 0.000 -6.909) 14.537 22.290 ( 2.294 0.000 0.647) 2.383 22.386 ( -0.204 0.000 1.444) 1.458 22.922 ( 1.230 0.000 -1.637) 2.047 23.056 ( -3.121 0.000 3.433) 4.640 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.38 0.00 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 12.931 0.000 12.242) 17.807 1.375 ( 19.022 0.000 7.485) 20.442 1.687 ( -12.743 0.000 7.164) 14.618 2.032 ( 11.429 0.000 3.383) 11.919 2.033 ( -13.103 0.000 8.724) 15.742 2.466 ( -7.317 0.000 -2.032) 7.594 2.491 ( 22.011 0.000 11.901) 25.022 2.768 ( 2.345 0.000 -0.206) 2.354 2.898 ( 5.366 0.000 -9.587) 10.987 3.117 ( -4.399 0.000 -6.047) 7.478 3.424 ( 4.513 0.000 -4.805) 6.592 3.450 ( 3.420 0.000 -11.786) 12.272 3.474 ( 1.142 0.000 -5.667) 5.781 3.534 ( 2.755 0.000 -15.687) 15.927 3.810 ( 3.577 0.000 -14.496) 14.931 3.871 ( 7.653 0.000 8.465) 11.412 4.262 ( -10.159 0.000 -0.425) 10.167 4.287 ( -0.929 0.000 10.605) 10.645 4.379 ( -4.977 0.000 6.013) 7.806 4.501 ( -9.997 0.000 11.324) 15.105 4.579 ( 1.005 0.000 -1.992) 2.231 4.654 ( 5.118 0.000 -1.789) 5.421 4.868 ( -5.106 0.000 2.399) 5.642 4.984 ( -8.363 0.000 -0.524) 8.380 5.159 ( -1.415 0.000 4.022) 4.264 5.224 ( -4.870 0.000 4.375) 6.547 6.665 ( 1.606 0.000 0.156) 1.613 6.773 ( -3.103 0.000 0.730) 3.188 6.803 ( 20.348 0.000 3.356) 20.623 7.480 ( -3.680 0.000 2.178) 4.276 7.532 ( -2.942 0.000 4.251) 5.170 7.667 ( -9.500 0.000 8.183) 12.538 8.254 ( 6.716 0.000 -7.915) 10.381 8.571 ( -8.166 0.000 -11.504) 14.107 9.559 ( 0.287 0.000 -0.424) 0.512 9.649 ( -4.143 0.000 -2.632) 4.908 9.725 ( 20.813 0.000 -5.767) 21.597 10.452 ( -14.213 0.000 -8.353) 16.486 10.508 ( 2.866 0.000 1.693) 3.328 10.605 ( -1.947 0.000 1.699) 2.584 11.690 ( 0.344 0.000 4.882) 4.894 11.743 ( -2.134 0.000 7.057) 7.373 12.533 ( 4.525 0.000 0.487) 4.551 12.712 ( -4.014 0.000 0.288) 4.024 13.096 ( 9.545 0.000 2.310) 9.821 13.434 ( -6.640 0.000 1.232) 6.754 14.065 ( 4.722 0.000 -9.672) 10.763 14.227 ( -2.698 0.000 -15.367) 15.602 18.933 ( 3.377 0.000 3.418) 4.805 19.100 ( -4.410 0.000 5.282) 6.881 19.639 ( 3.019 0.000 5.721) 6.469 19.803 ( -4.636 0.000 8.914) 10.047 20.257 ( 16.742 0.000 -3.836) 17.176 20.395 ( 1.044 0.000 10.739) 10.790 20.546 ( -5.018 0.000 5.866) 7.719 20.947 ( -16.422 0.000 -5.964) 17.472 22.335 ( 2.087 0.000 1.189) 2.402 22.381 ( -0.373 0.000 1.667) 1.708 22.939 ( 0.717 0.000 -0.362) 0.803 22.998 ( -2.535 0.000 2.378) 3.476 ======================= Grid point 67 (25/100) ======================= q-point: (-0.50 0.00 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -13.678 0.000 9.146) 16.454 1.421 ( 13.678 0.000 9.146) 16.454 1.734 ( -16.745 0.000 7.864) 18.500 1.734 ( 16.745 0.000 7.864) 18.500 2.268 ( -11.621 0.000 0.834) 11.651 2.268 ( 11.621 0.000 0.834) 11.651 2.756 ( -5.186 0.000 3.466) 6.238 2.756 ( 5.186 0.000 3.466) 6.238 3.015 ( -5.743 0.000 -7.833) 9.713 3.015 ( 5.743 0.000 -7.833) 9.713 3.478 ( -1.023 0.000 -5.587) 5.680 3.478 ( 1.023 0.000 -5.587) 5.680 3.547 ( -2.988 0.000 -14.691) 14.992 3.547 ( 2.988 0.000 -14.691) 14.992 3.951 ( -13.070 0.000 -7.328) 14.984 3.951 ( 13.070 0.000 -7.328) 14.984 4.102 ( -14.848 0.000 5.706) 15.906 4.102 ( 14.848 0.000 5.706) 15.906 4.362 ( -5.263 0.000 13.059) 14.080 4.362 ( 5.263 0.000 13.059) 14.080 4.767 ( -5.490 0.000 -1.110) 5.601 4.767 ( 5.490 0.000 -1.110) 5.601 4.781 ( -11.721 0.000 0.470) 11.731 4.781 ( 11.721 0.000 0.470) 11.731 5.157 ( -1.567 0.000 6.465) 6.652 5.157 ( 1.567 0.000 6.465) 6.652 6.711 ( -2.915 0.000 0.536) 2.964 6.711 ( 2.915 0.000 0.536) 2.964 7.194 ( -18.576 0.000 3.489) 18.901 7.194 ( 18.576 0.000 3.489) 18.901 7.568 ( -3.041 0.000 5.294) 6.106 7.568 ( 3.041 0.000 5.294) 6.106 8.405 ( -8.227 0.000 -10.283) 13.169 8.405 ( 8.227 0.000 -10.283) 13.169 9.584 ( -2.256 0.000 -1.396) 2.653 9.584 ( 2.256 0.000 -1.396) 2.653 10.122 ( -18.656 0.000 -6.881) 19.884 10.122 ( 18.656 0.000 -6.881) 19.884 10.561 ( -2.471 0.000 1.632) 2.961 10.561 ( 2.471 0.000 1.632) 2.961 11.707 ( -1.350 0.000 6.312) 6.454 11.707 ( 1.350 0.000 6.312) 6.454 12.625 ( -4.615 0.000 0.105) 4.616 12.625 ( 4.615 0.000 0.105) 4.616 13.280 ( -8.685 0.000 1.669) 8.844 13.280 ( 8.685 0.000 1.669) 8.844 14.156 ( -4.249 0.000 -12.277) 12.992 14.156 ( 4.249 0.000 -12.277) 12.992 19.011 ( -4.340 0.000 4.380) 6.166 19.011 ( 4.340 0.000 4.380) 6.166 19.712 ( -4.223 0.000 7.571) 8.669 19.712 ( 4.223 0.000 7.571) 8.669 20.454 ( -4.173 0.000 5.557) 6.949 20.454 ( 4.173 0.000 5.557) 6.949 20.603 ( -17.704 0.000 -4.895) 18.368 20.603 ( 17.704 0.000 -4.895) 18.368 22.367 ( -1.122 0.000 1.664) 2.007 22.367 ( 1.122 0.000 1.664) 2.007 22.959 ( -1.398 0.000 0.904) 1.664 22.959 ( 1.398 0.000 0.904) 1.664 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 0.000 8.027 15.218) 17.205 0.596 ( 0.000 9.967 18.382) 20.910 1.444 ( 0.000 20.840 29.885) 36.434 1.739 ( 0.000 6.144 12.442) 13.876 2.181 ( 0.000 5.120 1.456) 5.323 2.385 ( 0.000 -1.246 -7.960) 8.057 2.480 ( 0.000 7.546 12.334) 14.460 2.574 ( 0.000 -0.533 -4.487) 4.518 2.835 ( 0.000 -17.943 -8.520) 19.863 2.909 ( 0.000 -2.366 -14.716) 14.905 3.326 ( 0.000 2.901 -2.464) 3.806 3.431 ( 0.000 0.573 -12.628) 12.641 3.478 ( 0.000 -2.362 8.457) 8.780 3.571 ( 0.000 -0.064 -1.076) 1.078 3.707 ( 0.000 -12.037 11.820) 16.870 3.849 ( 0.000 8.334 -13.531) 15.892 4.171 ( 0.000 2.709 3.629) 4.528 4.177 ( 0.000 19.034 -8.705) 20.930 4.381 ( 0.000 5.186 9.628) 10.936 4.578 ( 0.000 -2.193 11.956) 12.155 5.009 ( 0.000 -2.863 -9.565) 9.985 5.042 ( 0.000 2.090 -2.694) 3.410 5.210 ( 0.000 3.062 -4.724) 5.629 5.309 ( 0.000 7.415 -3.246) 8.095 5.376 ( 0.000 0.273 -0.494) 0.564 5.452 ( 0.000 -7.188 0.538) 7.208 5.992 ( 0.000 8.779 5.498) 10.359 6.522 ( 0.000 -12.196 -0.387) 12.202 6.748 ( 0.000 -9.246 -0.712) 9.274 7.256 ( 0.000 -12.390 4.518) 13.188 7.547 ( 0.000 1.375 1.271) 1.872 8.186 ( 0.000 -15.194 8.716) 17.516 8.246 ( 0.000 10.315 3.661) 10.946 8.979 ( 0.000 3.509 -25.159) 25.403 9.026 ( 0.000 14.573 -11.985) 18.868 9.807 ( 0.000 6.678 -3.267) 7.434 9.854 ( 0.000 0.907 2.367) 2.535 10.344 ( 0.000 -2.226 2.137) 3.086 10.592 ( 0.000 -4.544 0.152) 4.547 10.740 ( 0.000 -10.215 -9.488) 13.942 11.756 ( 0.000 4.024 1.297) 4.228 11.864 ( 0.000 0.489 1.154) 1.253 12.352 ( 0.000 -1.752 6.588) 6.817 12.645 ( 0.000 -3.763 4.513) 5.876 13.061 ( 0.000 10.646 -4.283) 11.475 13.360 ( 0.000 -1.023 -0.686) 1.232 13.904 ( 0.000 -9.520 6.909) 11.763 13.906 ( 0.000 -0.943 -2.275) 2.463 18.935 ( 0.000 4.872 2.775) 5.607 19.564 ( 0.000 -6.701 -1.371) 6.840 19.615 ( 0.000 10.647 0.279) 10.650 19.632 ( 0.000 14.730 -6.933) 16.281 19.932 ( 0.000 2.711 2.313) 3.564 20.475 ( 0.000 -7.653 7.506) 10.720 21.566 ( 0.000 4.795 -7.889) 9.232 22.167 ( 0.000 -5.083 -2.413) 5.626 22.358 ( 0.000 0.454 0.741) 0.869 22.438 ( 0.000 -7.524 5.018) 9.044 22.463 ( 0.000 3.384 3.714) 5.024 23.015 ( 0.000 -7.967 4.303) 9.055 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.12 0.17 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 12.541 10.499 5.252) 17.178 0.916 ( 20.206 8.876 12.876) 25.551 1.550 ( 10.404 9.923 22.669) 26.844 1.800 ( 7.388 12.171 17.494) 22.556 2.138 ( -4.540 5.680 1.875) 7.509 2.411 ( 0.325 2.369 0.589) 2.463 2.447 ( -0.851 2.077 0.775) 2.375 2.608 ( 2.629 -0.981 -2.678) 3.879 2.866 ( 1.554 -13.391 -9.680) 16.596 2.919 ( 2.128 -5.290 -11.081) 12.462 3.290 ( -2.884 0.724 -1.316) 3.252 3.443 ( 0.367 1.746 -11.229) 11.369 3.499 ( 2.374 -0.386 3.354) 4.128 3.540 ( -2.263 1.102 -0.180) 2.524 3.761 ( 2.363 -8.160 6.508) 10.702 3.875 ( 4.475 3.209 -6.994) 8.902 3.932 ( -9.825 11.627 0.287) 15.225 4.256 ( 0.153 2.224 0.109) 2.232 4.407 ( 2.407 4.970 7.238) 9.104 4.625 ( 1.804 0.242 7.515) 7.732 4.918 ( -6.119 -2.644 -5.620) 8.719 5.069 ( -4.422 -1.633 -1.838) 5.060 5.148 ( -4.795 -0.002 -5.078) 6.984 5.214 ( -7.284 7.154 -1.267) 10.288 5.296 ( -4.795 0.663 -1.419) 5.044 5.466 ( -0.604 2.216 1.351) 2.665 6.132 ( 13.226 7.837 3.878) 15.855 6.524 ( 0.309 -11.578 -0.268) 11.586 6.753 ( 0.012 -8.783 -0.359) 8.791 7.291 ( 3.001 -10.584 3.210) 11.460 7.561 ( 0.925 0.014 1.890) 2.104 8.070 ( -8.408 -8.442 7.551) 14.106 8.301 ( 1.660 8.970 0.687) 9.148 8.980 ( -3.593 13.337 -13.003) 18.970 9.019 ( 5.745 2.254 -14.717) 15.958 9.726 ( -4.139 7.933 1.781) 9.124 9.863 ( -1.536 3.324 -3.303) 4.931 10.369 ( 2.261 -2.381 1.634) 3.668 10.583 ( -1.378 -6.314 -0.310) 6.470 10.713 ( -2.696 -8.818 -8.494) 12.537 11.744 ( -0.959 3.405 1.268) 3.758 11.865 ( -0.289 2.659 3.287) 4.238 12.359 ( 0.884 -3.202 5.213) 6.181 12.621 ( -1.160 -6.016 6.052) 8.612 13.043 ( 0.595 10.383 -0.312) 10.405 13.521 ( 8.207 -0.272 -7.631) 11.210 13.878 ( 1.013 -4.459 -1.999) 4.991 13.994 ( 5.420 -9.537 -1.303) 11.046 18.940 ( 0.686 5.586 2.824) 6.297 19.586 ( -3.771 19.635 -8.750) 21.825 19.624 ( 1.040 4.005 3.220) 5.243 19.640 ( 6.363 -4.739 -1.112) 8.012 19.947 ( 1.449 3.113 1.565) 3.774 20.461 ( -1.505 -7.057 8.615) 11.238 21.401 ( -47.196 10.974 26.244) 55.105 21.487 ( -8.315 3.977 -6.965) 11.552 22.262 ( 1.396 1.123 0.765) 1.948 22.428 ( -0.208 3.514 1.170) 3.710 22.787 ( 7.763 -7.572 -2.565) 11.143 23.008 ( -0.913 -7.618 4.152) 8.724 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.25 0.17 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 16.659 7.920 0.724) 18.460 1.261 ( 14.670 14.360 10.461) 23.040 1.789 ( 11.961 -3.022 6.302) 13.853 1.993 ( -7.883 6.499 2.569) 10.535 2.109 ( 21.110 15.105 22.477) 34.336 2.316 ( -7.501 6.948 9.528) 13.975 2.495 ( 1.756 -3.637 -6.712) 7.833 2.669 ( 3.795 -2.332 -4.167) 6.100 2.864 ( -0.579 -3.717 -8.870) 9.635 3.004 ( 4.502 -11.868 -8.770) 15.428 3.241 ( -1.144 -0.408 0.083) 1.217 3.443 ( -0.234 1.816 -8.416) 8.613 3.501 ( -0.856 2.395 -3.857) 4.620 3.569 ( 4.141 3.289 -2.993) 6.076 3.741 ( -1.775 -1.902 4.213) 4.952 3.849 ( -0.444 2.750 -6.461) 7.036 4.064 ( 12.924 -7.188 4.099) 15.346 4.235 ( -1.924 -0.835 0.693) 2.209 4.457 ( 1.402 4.444 4.771) 6.669 4.619 ( -1.935 0.697 3.576) 4.125 4.766 ( -8.902 -1.930 -1.796) 9.284 4.814 ( -16.241 -0.318 2.575) 16.447 5.027 ( -8.030 -0.961 -3.053) 8.645 5.089 ( -6.574 1.239 -0.506) 6.709 5.254 ( 0.244 6.878 -0.495) 6.900 5.420 ( -3.436 8.441 3.515) 9.768 6.451 ( 15.879 2.631 1.771) 16.193 6.548 ( 3.812 -7.064 1.141) 8.108 6.735 ( -1.836 -8.446 0.490) 8.657 7.359 ( 3.678 -7.724 2.313) 8.862 7.565 ( -0.900 -1.520 2.783) 3.297 7.862 ( -12.303 -5.740 7.405) 15.464 8.327 ( 2.139 13.322 -5.415) 14.538 8.867 ( -7.142 13.600 -11.679) 19.297 9.259 ( 16.461 -4.893 -7.470) 18.727 9.671 ( -1.610 8.690 0.430) 8.849 9.807 ( -3.385 5.841 -3.110) 7.433 10.423 ( 2.920 -2.650 0.919) 4.049 10.513 ( -6.352 -10.348 -4.018) 12.789 10.647 ( -3.329 -4.539 -4.008) 6.910 11.728 ( -0.394 3.281 2.402) 4.086 11.844 ( -1.786 4.989 6.359) 8.278 12.393 ( 2.584 -5.547 2.843) 6.748 12.608 ( -0.650 -9.226 5.089) 10.557 13.099 ( 4.841 10.669 0.266) 11.719 13.571 ( -1.889 3.258 -2.003) 4.265 13.939 ( 4.210 -3.874 -7.932) 9.780 14.092 ( 3.564 -11.520 -9.325) 15.244 18.972 ( 2.661 7.418 2.883) 8.392 19.474 ( -7.078 20.743 -5.538) 22.606 19.647 ( 1.581 5.168 4.813) 7.237 19.800 ( 6.801 -5.569 0.431) 8.801 19.997 ( 4.993 2.525 0.485) 5.616 20.412 ( -3.126 -4.103 12.881) 13.876 20.723 ( -19.992 5.946 20.886) 29.517 21.264 ( -14.063 1.661 -6.401) 15.541 22.304 ( 2.581 1.507 0.716) 3.073 22.423 ( -0.322 3.443 1.210) 3.664 22.865 ( 1.755 -5.719 -1.203) 6.102 22.977 ( -2.057 -6.494 3.492) 7.655 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.38 0.17 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 15.114 7.223 1.397) 16.809 1.531 ( 11.618 11.461 8.365) 18.339 1.799 ( -9.167 9.787 3.623) 13.890 2.030 ( 12.179 -0.583 3.063) 12.571 2.127 ( -11.242 8.599 9.127) 16.841 2.445 ( -5.283 -2.197 -2.505) 6.246 2.550 ( 17.040 5.972 12.980) 22.237 2.754 ( 3.565 -1.492 -2.738) 4.736 2.879 ( 2.826 -5.491 -8.336) 10.374 3.032 ( -1.715 -9.931 -8.821) 13.393 3.278 ( 4.361 -0.270 -2.478) 5.023 3.428 ( -1.545 1.803 -7.684) 8.043 3.539 ( 5.330 1.354 -3.572) 6.558 3.651 ( 3.070 4.470 -7.181) 8.998 3.757 ( 4.622 -3.662 0.735) 5.943 3.865 ( 2.212 -2.544 -3.137) 4.605 4.159 ( -6.618 -5.732 -0.536) 8.772 4.316 ( -8.605 3.189 -0.653) 9.200 4.361 ( 6.471 -8.983 1.139) 11.130 4.525 ( -5.387 4.869 9.306) 11.803 4.578 ( -5.418 4.494 7.644) 10.392 4.686 ( 2.320 -1.209 -0.337) 2.638 4.882 ( -6.496 -2.037 -2.411) 7.222 4.915 ( -10.705 -2.808 -0.055) 11.067 5.272 ( 1.160 10.354 2.881) 10.809 5.350 ( -3.204 11.808 5.005) 13.219 6.561 ( 2.522 -9.343 0.066) 9.678 6.683 ( -3.086 -8.112 0.883) 8.724 6.851 ( 18.764 3.770 3.598) 19.474 7.430 ( 2.792 -5.429 2.325) 6.533 7.504 ( -7.073 -1.779 2.743) 7.792 7.615 ( -9.815 -4.172 7.030) 12.773 8.405 ( 5.636 13.006 -8.463) 16.509 8.709 ( -8.444 12.895 -11.052) 18.967 9.597 ( 13.812 -6.892 -5.895) 16.523 9.654 ( -0.101 8.079 -1.047) 8.147 9.766 ( 2.267 6.277 -2.045) 6.980 10.320 ( -12.675 -11.018 -6.629) 18.055 10.482 ( 2.879 -2.730 0.678) 4.025 10.589 ( -2.615 -2.812 -0.463) 3.868 11.732 ( 0.770 3.938 4.370) 5.932 11.801 ( -2.337 5.417 7.286) 9.375 12.456 ( 3.514 -7.162 1.757) 8.169 12.581 ( -2.133 -9.603 3.298) 10.375 13.222 ( 7.109 9.444 0.099) 11.821 13.493 ( -5.439 5.278 -0.093) 7.580 14.022 ( 3.932 -4.178 -9.309) 10.935 14.123 ( -0.290 -8.793 -11.693) 14.633 19.048 ( 5.032 10.157 2.710) 11.655 19.320 ( -7.998 18.247 -0.886) 19.942 19.689 ( 2.650 4.634 5.908) 7.962 19.823 ( -2.834 1.620 7.455) 8.138 20.204 ( 13.540 -4.480 -2.924) 14.559 20.385 ( 1.945 -1.339 10.642) 10.901 20.496 ( -6.233 -3.636 6.459) 9.685 20.946 ( -17.431 -0.702 -4.808) 18.095 22.356 ( 2.414 2.064 1.149) 3.377 22.414 ( -0.616 3.151 1.442) 3.519 22.887 ( 0.772 -5.090 -0.137) 5.150 22.935 ( -1.919 -5.482 2.208) 6.214 ======================= Grid point 76 (30/100) ======================= q-point: (-0.50 0.17 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -12.576 6.719 2.378) 14.455 1.483 ( 12.576 6.719 2.378) 14.455 1.876 ( -12.916 11.846 8.928) 19.668 1.876 ( 12.916 11.846 8.928) 19.668 2.268 ( -11.095 -0.459 0.564) 11.118 2.268 ( 11.095 -0.459 0.564) 11.118 2.756 ( -4.039 0.384 2.373) 4.701 2.756 ( 4.039 0.384 2.373) 4.701 2.968 ( -4.494 -7.393 -7.472) 11.432 2.968 ( 4.494 -7.393 -7.472) 11.432 3.372 ( -4.213 0.037 -6.027) 7.353 3.372 ( 4.213 0.037 -6.027) 7.353 3.653 ( -3.348 2.324 -5.802) 7.091 3.653 ( 3.348 2.324 -5.802) 7.091 3.956 ( -11.886 -3.786 -1.331) 12.545 3.956 ( 11.886 -3.786 -1.331) 12.545 3.985 ( -6.175 -2.387 -1.514) 6.791 3.985 ( 6.175 -2.387 -1.514) 6.791 4.487 ( -1.255 6.976 10.364) 12.556 4.487 ( 1.255 6.976 10.364) 12.556 4.665 ( -13.376 -6.605 1.014) 14.952 4.665 ( 13.376 -6.605 1.014) 14.952 4.771 ( -5.199 -1.912 -1.532) 5.747 4.771 ( 5.199 -1.912 -1.532) 5.747 5.300 ( -1.832 12.518 4.858) 13.552 5.300 ( 1.832 12.518 4.858) 13.552 6.618 ( -3.227 -8.443 0.680) 9.064 6.618 ( 3.227 -8.443 0.680) 9.064 7.214 ( -17.246 1.326 3.564) 17.660 7.214 ( 17.246 1.326 3.564) 17.660 7.510 ( -3.570 -5.010 4.220) 7.460 7.510 ( 3.570 -5.010 4.220) 7.460 8.543 ( -7.935 12.602 -10.091) 17.989 8.543 ( 7.935 12.602 -10.091) 17.989 9.662 ( -0.820 6.327 -2.115) 6.721 9.662 ( 0.820 6.327 -2.115) 6.721 10.023 ( -16.567 -8.181 -5.751) 19.351 10.023 ( 16.567 -8.181 -5.751) 19.351 10.537 ( -2.676 -2.777 0.387) 3.876 10.537 ( 2.676 -2.777 0.387) 3.876 11.758 ( -1.826 4.815 6.269) 8.113 11.758 ( 1.826 4.815 6.269) 8.113 12.525 ( -3.304 -8.511 2.064) 9.360 12.525 ( 3.304 -8.511 2.064) 9.360 13.367 ( -7.052 7.345 0.036) 10.182 13.367 ( 7.052 7.345 0.036) 10.182 14.090 ( -2.739 -5.959 -10.756) 12.598 14.090 ( 2.739 -5.959 -10.756) 12.598 19.169 ( -6.979 13.917 1.785) 15.670 19.169 ( 6.979 13.917 1.785) 15.670 19.752 ( -3.623 3.684 7.571) 9.166 19.752 ( 3.623 3.684 7.571) 9.166 20.384 ( -4.889 -5.609 3.259) 8.123 20.384 ( 4.889 -5.609 3.259) 8.123 20.596 ( -16.627 -1.609 -1.696) 16.791 20.596 ( 16.627 -1.609 -1.696) 16.791 22.395 ( -1.447 2.650 1.509) 3.375 22.395 ( 1.447 2.650 1.509) 3.375 22.905 ( -1.143 -5.006 0.878) 5.209 22.905 ( 1.143 -5.006 0.878) 5.209 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 0.000 14.147 12.557) 18.916 0.929 ( 0.000 27.582 -11.908) 30.043 1.438 ( 0.000 -10.699 7.311) 12.958 2.103 ( 0.000 -24.465 -18.996) 30.974 2.235 ( 0.000 31.139 29.061) 42.593 2.308 ( 0.000 6.889 -3.858) 7.896 2.555 ( 0.000 -1.759 -5.863) 6.121 2.654 ( 0.000 0.799 1.862) 2.026 2.721 ( 0.000 13.120 11.961) 17.754 2.792 ( 0.000 -7.362 -10.202) 12.581 3.307 ( 0.000 -11.427 13.713) 17.851 3.357 ( 0.000 -15.973 13.127) 20.675 3.458 ( 0.000 2.839 2.198) 3.590 3.490 ( 0.000 3.857 -9.172) 9.950 3.641 ( 0.000 4.919 -1.904) 5.274 3.830 ( 0.000 -6.304 -2.792) 6.894 4.265 ( 0.000 3.219 -3.921) 5.074 4.320 ( 0.000 -2.981 -0.405) 3.008 4.477 ( 0.000 3.142 3.463) 4.676 4.558 ( 0.000 1.070 1.664) 1.978 5.009 ( 0.000 2.259 -11.617) 11.834 5.058 ( 0.000 -0.779 -4.726) 4.790 5.310 ( 0.000 4.062 -3.096) 5.107 5.330 ( 0.000 -2.146 0.484) 2.200 5.407 ( 0.000 7.258 3.464) 8.042 5.646 ( 0.000 20.697 -0.998) 20.721 6.160 ( 0.000 -13.856 -1.687) 13.958 6.269 ( 0.000 9.109 4.316) 10.079 6.480 ( 0.000 -16.351 -1.014) 16.382 6.946 ( 0.000 -16.782 4.535) 17.384 7.608 ( 0.000 4.736 1.988) 5.136 7.935 ( 0.000 -10.400 5.379) 11.709 8.494 ( 0.000 12.884 -2.432) 13.111 8.941 ( 0.000 -6.284 -20.298) 21.248 9.419 ( 0.000 22.157 -11.728) 25.069 9.945 ( 0.000 6.240 2.476) 6.713 9.980 ( 0.000 9.263 -2.364) 9.560 10.285 ( 0.000 -4.021 -0.019) 4.021 10.445 ( 0.000 -16.803 -9.827) 19.466 10.457 ( 0.000 -8.264 0.532) 8.282 11.845 ( 0.000 3.597 -4.084) 5.442 11.869 ( 0.000 0.375 -1.815) 1.854 12.333 ( 0.000 0.958 11.440) 11.480 12.548 ( 0.000 -6.038 8.731) 10.615 13.208 ( 0.000 4.450 -2.258) 4.990 13.328 ( 0.000 -2.044 -0.384) 2.080 13.810 ( 0.000 -0.537 3.150) 3.196 13.877 ( 0.000 -1.829 -1.873) 2.618 19.058 ( 0.000 7.107 2.996) 7.713 19.402 ( 0.000 -8.608 0.197) 8.610 19.781 ( 0.000 9.548 4.119) 10.398 19.892 ( 0.000 7.582 -3.608) 8.397 19.973 ( 0.000 0.917 1.711) 1.941 20.272 ( 0.000 -11.383 7.250) 13.496 21.691 ( 0.000 7.009 -7.895) 10.558 22.015 ( 0.000 -8.365 -4.014) 9.278 22.363 ( 0.000 0.079 0.966) 0.969 22.367 ( 0.000 -0.815 2.364) 2.501 22.567 ( 0.000 6.404 3.214) 7.165 22.866 ( 0.000 -7.146 3.235) 7.844 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.12 0.33 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 8.760 26.221 -12.697) 30.422 1.098 ( 18.919 9.508 9.245) 23.104 1.512 ( 7.219 -7.619 6.861) 12.540 2.143 ( 3.799 -23.710 -17.704) 29.833 2.253 ( -1.778 13.194 3.673) 13.811 2.328 ( 5.671 23.785 19.882) 31.515 2.553 ( -0.562 -1.564 -4.914) 5.187 2.633 ( -3.264 4.373 5.331) 7.629 2.724 ( 2.165 3.268 0.947) 4.033 2.820 ( 1.949 -3.072 -3.544) 5.079 3.289 ( -1.336 -7.628 11.813) 14.125 3.389 ( 2.618 -13.844 10.635) 17.653 3.457 ( 0.478 -0.955 -0.359) 1.126 3.524 ( 2.698 3.403 -3.928) 5.855 3.644 ( 0.416 3.562 -1.993) 4.103 3.839 ( 1.107 -5.824 -1.633) 6.149 4.154 ( -9.059 6.285 -3.835) 11.674 4.332 ( -2.077 5.181 -1.649) 5.821 4.405 ( -0.564 -5.210 1.433) 5.433 4.603 ( 0.584 -2.825 2.509) 3.823 4.921 ( -6.728 2.916 -5.307) 9.051 5.031 ( -4.113 -1.928 -6.401) 7.849 5.175 ( -10.789 2.689 -1.437) 11.211 5.264 ( -6.431 -0.745 0.337) 6.483 5.426 ( 1.943 11.218 -0.064) 11.385 5.695 ( 2.411 18.526 1.401) 18.735 6.180 ( 1.842 -17.172 -1.648) 17.349 6.362 ( 8.729 7.302 4.071) 12.086 6.511 ( 2.641 -11.378 -0.514) 11.692 7.017 ( 6.351 -15.203 3.117) 16.769 7.595 ( -1.409 3.519 2.287) 4.427 7.879 ( -5.398 -9.181 5.089) 11.804 8.538 ( 3.737 12.516 -4.377) 13.776 8.968 ( 3.604 -5.949 -16.044) 17.487 9.370 ( -4.740 21.798 -11.313) 25.012 9.911 ( -2.349 8.024 0.702) 8.390 9.986 ( -0.263 8.153 -2.069) 8.415 10.299 ( 1.349 -4.650 -0.069) 4.843 10.373 ( -4.772 -13.608 -5.729) 15.517 10.494 ( 1.151 -10.707 -2.999) 11.179 11.822 ( -0.866 3.815 -2.512) 4.649 11.915 ( 2.903 1.376 -0.802) 3.311 12.305 ( -2.487 -0.423 10.122) 10.432 12.504 ( -3.390 -6.111 9.697) 11.953 13.218 ( 2.558 6.966 -0.939) 7.480 13.469 ( 10.321 -4.952 -5.528) 12.712 13.796 ( -0.998 -0.510 2.132) 2.409 13.895 ( 1.471 -2.998 -1.964) 3.874 19.083 ( 2.576 8.189 2.767) 9.020 19.463 ( 5.825 -9.150 0.251) 10.850 19.782 ( 0.054 9.148 3.834) 9.919 19.878 ( -1.268 8.581 -3.799) 9.470 19.987 ( 1.265 0.422 0.693) 1.503 20.269 ( -0.297 -10.917 7.576) 13.291 21.575 ( -12.526 4.532 -6.468) 14.807 21.595 ( -31.277 5.671 4.726) 32.136 22.307 ( 1.612 3.517 1.165) 4.040 22.508 ( 1.876 1.384 -0.866) 2.487 22.626 ( 5.113 -4.144 2.407) 7.007 22.857 ( -0.846 -7.240 2.995) 7.880 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.25 0.33 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 12.051 21.155 -10.845) 26.653 1.494 ( 18.130 8.723 5.309) 20.808 1.715 ( 12.770 -4.166 4.846) 14.279 2.155 ( -6.177 7.653 -4.369) 10.761 2.248 ( 5.169 -18.859 -14.041) 24.073 2.500 ( -5.539 6.992 4.770) 10.116 2.530 ( 13.038 23.988 23.161) 35.803 2.561 ( -2.578 -5.169 -5.117) 7.717 2.776 ( 1.461 -4.746 -3.672) 6.176 2.862 ( 2.504 1.101 1.891) 3.326 3.282 ( 1.484 -2.849 8.981) 9.539 3.425 ( 0.920 -3.094 1.057) 3.396 3.491 ( 2.427 -7.853 3.749) 9.034 3.588 ( 3.855 1.902 -2.476) 4.961 3.658 ( 0.645 0.650 -2.270) 2.448 3.871 ( 0.199 -4.006 2.272) 4.610 4.007 ( -1.455 3.894 -4.557) 6.168 4.253 ( -5.292 1.999 -6.648) 8.730 4.435 ( 1.430 -6.426 1.014) 6.661 4.572 ( -2.546 -4.753 4.699) 7.152 4.785 ( -6.624 4.463 -0.875) 8.035 4.875 ( -11.574 4.189 -0.828) 12.337 4.961 ( -9.120 -2.481 -4.240) 10.359 5.095 ( -10.215 -1.995 0.065) 10.409 5.483 ( 3.603 14.648 0.146) 15.085 5.710 ( -0.547 18.542 3.341) 18.849 6.230 ( 3.118 -17.036 -0.950) 17.345 6.473 ( 0.374 -14.719 1.621) 14.813 6.664 ( 13.573 9.783 2.528) 16.921 7.157 ( 6.960 -11.538 1.646) 13.574 7.551 ( -3.081 0.824 2.747) 4.209 7.730 ( -9.298 -6.635 4.814) 12.395 8.618 ( 4.340 14.209 -7.983) 16.865 9.116 ( 10.907 -8.283 -9.679) 16.770 9.242 ( -7.633 20.650 -10.371) 24.336 9.863 ( -2.571 6.297 -1.878) 7.056 9.969 ( -1.089 9.514 -1.850) 9.753 10.254 ( -6.884 -11.328 -5.326) 14.286 10.338 ( 2.091 -6.098 -0.261) 6.452 10.498 ( -0.715 -9.484 -2.213) 9.765 11.820 ( 0.697 5.463 0.133) 5.509 11.960 ( 1.081 4.544 3.586) 5.889 12.260 ( -1.341 -5.155 6.532) 8.428 12.439 ( -3.054 -7.781 9.200) 12.430 13.306 ( 5.766 9.484 -1.580) 11.211 13.633 ( 4.075 0.048 -6.534) 7.700 13.797 ( 2.268 -5.917 -2.322) 6.749 13.926 ( 1.431 -5.162 -3.407) 6.348 19.165 ( 5.725 10.877 2.044) 12.460 19.612 ( 8.022 -8.556 0.818) 11.757 19.775 ( -1.002 8.491 0.878) 8.595 19.854 ( -0.620 9.450 -3.471) 10.086 20.022 ( 2.478 -0.338 0.014) 2.501 20.265 ( 0.203 -9.288 8.344) 12.487 20.952 ( -28.759 13.752 11.686) 33.953 21.277 ( -18.154 -1.173 -4.668) 18.781 22.360 ( 3.230 4.195 0.760) 5.349 22.517 ( -0.175 4.958 0.216) 4.966 22.701 ( 2.477 -8.632 1.364) 9.084 22.834 ( -1.455 -7.123 2.219) 7.601 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.38 0.33 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 12.624 16.687 -7.956) 22.386 1.770 ( 7.725 11.313 2.556) 13.935 1.984 ( 13.061 -4.257 1.570) 13.827 2.027 ( -3.752 11.194 -2.009) 11.976 2.306 ( -2.934 -5.032 -3.576) 6.835 2.360 ( -6.814 4.200 3.345) 8.675 2.535 ( 1.729 -13.168 -9.424) 16.285 2.745 ( -4.130 -10.744 -6.064) 13.010 2.796 ( 11.049 15.240 15.639) 24.473 2.915 ( 2.211 5.493 5.285) 7.937 3.358 ( 5.272 -0.968 4.844) 7.224 3.446 ( 1.279 -2.417 -1.349) 3.049 3.545 ( 3.238 -4.213 1.880) 5.637 3.629 ( -1.234 1.799 -0.722) 2.298 3.702 ( 5.395 -0.763 -3.868) 6.682 3.835 ( -0.273 -0.670 -2.304) 2.415 4.067 ( -3.517 -3.633 -4.508) 6.774 4.199 ( 7.707 -3.949 -1.555) 8.798 4.369 ( -10.016 0.544 -0.343) 10.037 4.558 ( 0.733 -3.152 5.438) 6.328 4.645 ( -4.250 2.323 -0.181) 4.847 4.699 ( -5.224 4.383 4.230) 8.025 4.790 ( -8.768 -4.147 -2.476) 10.010 4.879 ( -10.298 -2.870 -0.470) 10.700 5.560 ( 3.901 17.013 1.468) 17.516 5.683 ( -2.043 19.168 3.561) 19.602 6.301 ( 3.896 -15.513 0.055) 15.995 6.444 ( -2.636 -14.843 1.366) 15.137 6.956 ( 14.859 6.435 3.310) 16.527 7.283 ( 5.784 -8.187 1.809) 10.186 7.466 ( -6.439 -1.429 2.384) 7.014 7.526 ( -9.989 -4.006 5.052) 11.889 8.725 ( 6.630 16.939 -9.229) 20.398 9.064 ( -9.247 20.318 -10.153) 24.524 9.382 ( 14.054 -13.109 -7.347) 20.576 9.795 ( -4.866 -1.688 -4.873) 7.090 9.957 ( 0.114 11.237 -1.229) 11.304 10.104 ( -7.571 -3.302 -3.511) 8.975 10.383 ( 2.353 -7.052 -0.659) 7.463 10.471 ( -1.831 -8.508 -1.572) 8.844 11.848 ( 2.063 7.184 3.362) 8.196 11.948 ( -1.978 8.239 7.090) 11.048 12.267 ( 1.868 -9.994 3.695) 10.818 12.379 ( -3.006 -9.781 7.029) 12.414 13.429 ( 6.248 10.263 -2.284) 12.230 13.628 ( -3.006 7.207 -2.569) 8.221 13.876 ( 4.027 -9.976 -8.007) 13.410 13.945 ( 0.325 -7.296 -5.723) 9.279 19.309 ( 8.708 14.127 0.454) 16.602 19.662 ( -5.148 10.728 -3.474) 12.396 19.785 ( 3.019 1.043 2.759) 4.220 19.856 ( -0.021 3.405 1.174) 3.602 20.117 ( 7.788 -2.637 -0.281) 8.227 20.301 ( 4.662 -6.825 7.904) 11.436 20.505 ( -15.980 6.576 9.892) 19.911 20.888 ( -20.118 -5.447 -1.903) 20.929 22.425 ( 3.078 4.764 0.976) 5.756 22.506 ( -0.939 5.582 0.871) 5.727 22.738 ( 1.555 -8.503 1.012) 8.703 22.802 ( -1.671 -7.085 1.287) 7.393 ======================= Grid point 85 (35/100) ======================= q-point: (-0.50 0.33 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -10.485 13.562 -5.432) 17.982 1.699 ( 10.485 13.562 -5.432) 17.982 2.128 ( -9.106 9.680 4.801) 14.131 2.128 ( 9.106 9.680 4.801) 14.131 2.221 ( -8.334 -3.634 -0.665) 9.116 2.221 ( 8.334 -3.634 -0.665) 9.116 2.632 ( -6.340 -14.013 -8.534) 17.589 2.632 ( 6.340 -14.013 -8.534) 17.589 2.925 ( -2.025 8.745 8.891) 12.634 2.925 ( 2.025 8.745 8.891) 12.634 3.443 ( -2.474 -1.383 -0.650) 2.908 3.443 ( 2.474 -1.383 -0.650) 2.908 3.597 ( -1.649 -2.125 1.372) 3.019 3.597 ( 1.649 -2.125 1.372) 3.019 3.822 ( -5.187 -5.188 -4.690) 8.707 3.822 ( 5.187 -5.188 -4.690) 8.707 4.080 ( -11.370 7.530 -2.335) 13.836 4.080 ( 11.370 7.530 -2.335) 13.836 4.468 ( -12.418 -8.401 2.647) 15.224 4.468 ( 12.418 -8.401 2.647) 15.224 4.624 ( -0.548 2.487 3.739) 4.524 4.624 ( 0.548 2.487 3.739) 4.524 4.729 ( -4.351 -1.979 -0.812) 4.849 4.729 ( 4.351 -1.979 -0.812) 4.849 5.631 ( -3.163 18.677 2.759) 19.142 5.631 ( 3.163 18.677 2.759) 19.142 6.379 ( -3.765 -14.620 0.934) 15.126 6.379 ( 3.765 -14.620 0.934) 15.126 7.242 ( -13.590 1.678 3.403) 14.110 7.242 ( 13.590 1.678 3.403) 14.110 7.394 ( -5.277 -5.617 3.059) 8.292 7.394 ( 5.277 -5.617 3.059) 8.292 8.881 ( -8.817 19.051 -9.645) 23.102 8.881 ( 8.817 19.051 -9.645) 23.102 9.640 ( -10.972 -12.860 -7.193) 18.371 9.640 ( 10.972 -12.860 -7.193) 18.371 9.988 ( -3.514 8.911 -1.262) 9.661 9.988 ( 3.514 8.911 -1.262) 9.661 10.429 ( -2.275 -7.810 -1.080) 8.206 10.429 ( 2.275 -7.810 -1.080) 8.206 11.898 ( -2.765 8.458 6.209) 10.851 11.898 ( 2.765 8.458 6.209) 10.851 12.319 ( -3.013 -10.866 4.655) 12.200 12.319 ( 3.013 -10.866 4.655) 12.200 13.544 ( -5.166 9.364 -2.377) 10.955 13.544 ( 5.166 9.364 -2.377) 10.955 13.933 ( -1.678 -8.818 -7.677) 11.812 13.933 ( 1.678 -8.818 -7.677) 11.812 19.499 ( -9.796 15.992 -2.614) 18.935 19.499 ( 9.796 15.992 -2.614) 18.935 19.834 ( -1.913 2.481 5.039) 5.933 19.834 ( 1.913 2.481 5.039) 5.933 20.280 ( -8.186 -2.419 3.464) 9.212 20.280 ( 8.186 -2.419 3.464) 9.212 20.513 ( -16.338 -6.524 2.227) 17.733 20.513 ( 16.338 -6.524 2.227) 17.733 22.477 ( -2.075 5.321 1.164) 5.828 22.477 ( 2.075 5.321 1.164) 5.828 22.769 ( -1.597 -7.640 0.831) 7.849 22.769 ( 1.597 -7.640 0.831) 7.849 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.000 -14.089 8.694) 16.555 1.152 ( 0.000 14.089 8.694) 16.555 1.538 ( 0.000 -28.517 -17.605) 33.514 1.538 ( 0.000 28.517 -17.605) 33.514 2.460 ( 0.000 -6.976 -7.881) 10.525 2.460 ( 0.000 6.976 -7.881) 10.525 2.679 ( 0.000 -1.996 -2.067) 2.873 2.679 ( 0.000 1.996 -2.067) 2.873 2.863 ( 0.000 -26.429 22.422) 34.659 2.863 ( 0.000 26.429 22.422) 34.659 3.034 ( 0.000 -13.800 13.803) 19.518 3.034 ( 0.000 13.800 13.803) 19.518 3.546 ( 0.000 -0.407 -4.902) 4.919 3.546 ( 0.000 0.407 -4.902) 4.919 3.722 ( 0.000 -3.271 1.534) 3.613 3.722 ( 0.000 3.271 1.534) 3.613 4.264 ( 0.000 -0.142 -5.513) 5.515 4.264 ( 0.000 0.142 -5.513) 5.515 4.546 ( 0.000 -2.790 0.688) 2.874 4.546 ( 0.000 2.790 0.688) 2.874 5.041 ( 0.000 -0.755 -6.760) 6.802 5.041 ( 0.000 0.755 -6.760) 6.802 5.317 ( 0.000 -0.483 1.462) 1.540 5.317 ( 0.000 0.483 1.462) 1.540 5.743 ( 0.000 -20.785 -1.116) 20.815 5.743 ( 0.000 20.785 -1.116) 20.815 6.091 ( 0.000 -20.880 -1.016) 20.904 6.091 ( 0.000 20.880 -1.016) 20.904 6.590 ( 0.000 -17.217 3.912) 17.656 6.590 ( 0.000 17.217 3.912) 17.656 7.743 ( 0.000 -8.124 3.035) 8.672 7.743 ( 0.000 8.124 3.035) 8.672 8.751 ( 0.000 -11.486 -10.738) 15.724 8.751 ( 0.000 11.486 -10.738) 15.724 9.870 ( 0.000 -18.413 -9.217) 20.591 9.870 ( 0.000 18.413 -9.217) 20.591 10.160 ( 0.000 -7.686 -1.686) 7.869 10.160 ( 0.000 7.686 -1.686) 7.869 10.287 ( 0.000 -5.704 -0.119) 5.705 10.287 ( 0.000 5.704 -0.119) 5.705 11.879 ( 0.000 -0.062 -5.906) 5.906 11.879 ( 0.000 0.062 -5.906) 5.906 12.412 ( 0.000 -6.200 13.120) 14.511 12.412 ( 0.000 6.200 13.120) 14.511 13.278 ( 0.000 -2.805 -0.675) 2.885 13.278 ( 0.000 2.805 -0.675) 2.885 13.835 ( 0.000 -2.107 -0.474) 2.160 13.835 ( 0.000 2.107 -0.474) 2.160 19.222 ( 0.000 -8.598 1.759) 8.776 19.222 ( 0.000 8.598 1.759) 8.776 19.954 ( 0.000 -3.881 -0.167) 3.885 19.954 ( 0.000 3.881 -0.167) 3.885 20.036 ( 0.000 -10.083 6.813) 12.169 20.036 ( 0.000 10.083 6.813) 12.169 21.846 ( 0.000 -7.902 -6.826) 10.442 21.846 ( 0.000 7.902 -6.826) 10.442 22.363 ( 0.000 -0.069 1.202) 1.204 22.363 ( 0.000 0.069 1.202) 1.204 22.713 ( 0.000 -7.505 2.961) 8.068 22.713 ( 0.000 7.505 2.961) 8.068 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.12 -0.50 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 12.955 -9.113 6.895) 17.275 1.298 ( 12.955 9.113 6.895) 17.275 1.596 ( 5.870 -27.051 -16.694) 32.325 1.596 ( 5.870 27.051 -16.694) 32.325 2.439 ( -2.204 -8.142 -8.102) 11.696 2.439 ( -2.204 8.142 -8.102) 11.696 2.678 ( -0.324 -2.242 -1.548) 2.744 2.678 ( -0.324 2.242 -1.548) 2.744 2.909 ( 4.640 -25.516 21.304) 33.562 2.909 ( 4.640 25.516 21.304) 33.562 3.037 ( 0.513 -13.111 13.225) 18.629 3.037 ( 0.513 13.111 13.225) 18.629 3.558 ( 1.103 -2.764 -4.632) 5.506 3.558 ( 1.103 2.764 -4.632) 5.506 3.721 ( 0.001 -4.602 1.058) 4.722 3.721 ( 0.001 4.602 1.058) 4.722 4.249 ( -2.034 -6.233 -6.408) 9.168 4.249 ( -2.034 6.233 -6.408) 9.168 4.495 ( -4.103 -7.418 1.890) 8.685 4.495 ( -4.103 7.418 1.890) 8.685 4.985 ( -5.007 -2.710 -5.631) 8.008 4.985 ( -5.007 2.710 -5.631) 8.008 5.228 ( -8.273 -2.341 0.927) 8.648 5.228 ( -8.273 2.341 0.927) 8.648 5.769 ( 2.697 -20.175 -1.324) 20.397 5.769 ( 2.697 20.175 -1.324) 20.397 6.107 ( 0.966 -19.608 0.722) 19.645 6.107 ( 0.966 19.608 0.722) 19.645 6.693 ( 9.211 -15.598 2.818) 18.332 6.693 ( 9.211 15.598 2.818) 18.332 7.707 ( -3.489 -7.186 3.088) 8.564 7.707 ( -3.489 7.186 3.088) 8.564 8.787 ( 3.610 -11.033 -10.207) 15.458 8.787 ( 3.610 11.033 -10.207) 15.458 9.817 ( -5.051 -18.832 -9.157) 21.541 9.817 ( -5.051 18.832 -9.157) 21.541 10.163 ( 0.335 -8.065 -1.469) 8.205 10.163 ( 0.335 8.065 -1.469) 8.205 10.289 ( 0.070 -7.731 -0.491) 7.747 10.289 ( 0.070 7.731 -0.491) 7.747 11.895 ( 1.601 -2.941 -4.640) 5.722 11.895 ( 1.601 2.941 -4.640) 5.722 12.371 ( -3.717 -5.998 12.854) 14.663 12.371 ( -3.717 5.998 12.854) 14.663 13.349 ( 6.435 -6.119 -1.984) 9.099 13.349 ( 6.435 6.119 -1.984) 9.099 13.833 ( -0.191 -2.947 -0.888) 3.084 13.833 ( -0.191 2.947 -0.888) 3.084 19.268 ( 4.550 -9.496 1.531) 10.640 19.268 ( 4.550 9.496 1.531) 10.640 19.948 ( -0.644 -4.448 -0.330) 4.506 19.948 ( -0.644 4.448 -0.330) 4.506 20.043 ( 0.745 -9.655 6.409) 11.613 20.043 ( 0.745 9.655 6.409) 11.613 21.638 ( -18.752 -1.092 -4.016) 19.208 21.638 ( -18.752 1.092 -4.016) 19.208 22.409 ( 3.549 -6.233 0.390) 7.183 22.409 ( 3.549 6.233 0.390) 7.183 22.707 ( -0.652 -7.130 2.738) 7.665 22.707 ( -0.652 7.130 2.738) 7.665 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.25 -0.50 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 13.325 -7.732 0.792) 15.426 1.578 ( 13.325 7.732 0.792) 15.426 1.773 ( 11.744 -20.560 -11.006) 26.110 1.773 ( 11.744 20.560 -11.006) 26.110 2.370 ( -4.620 -10.172 -8.293) 13.914 2.370 ( -4.620 10.172 -8.293) 13.914 2.647 ( -3.291 -5.282 0.283) 6.230 2.647 ( -3.291 5.282 0.283) 6.230 3.032 ( 6.562 -15.169 15.875) 22.916 3.032 ( 6.562 15.169 15.875) 22.916 3.073 ( 3.850 -4.462 12.993) 14.267 3.073 ( 3.850 4.462 12.993) 14.267 3.588 ( 1.923 -5.418 -4.468) 7.282 3.588 ( 1.923 5.418 -4.468) 7.282 3.730 ( 1.144 -6.836 0.006) 6.931 3.730 ( 1.144 6.836 0.006) 6.931 4.162 ( -6.013 -9.476 -6.412) 12.925 4.162 ( -6.013 9.476 -6.412) 12.925 4.444 ( -0.429 -6.801 2.684) 7.324 4.444 ( -0.429 6.801 2.684) 7.324 4.867 ( -6.624 -3.156 -3.640) 8.191 4.867 ( -6.624 3.156 -3.640) 8.191 5.017 ( -12.187 -5.039 0.716) 13.207 5.017 ( -12.187 5.039 0.716) 13.207 5.844 ( 4.568 -19.268 -0.751) 19.817 5.844 ( 4.568 19.268 -0.751) 19.817 6.113 ( -0.433 -19.261 2.217) 19.393 6.113 ( -0.433 19.261 2.217) 19.393 6.903 ( 10.947 -12.523 2.013) 16.754 6.903 ( 10.947 12.523 2.013) 16.754 7.609 ( -6.243 -4.692 3.258) 8.462 7.609 ( -6.243 4.692 3.258) 8.462 8.896 ( 7.356 -12.420 -9.226) 17.131 8.896 ( 7.356 12.420 -9.226) 17.131 9.682 ( -8.177 -19.868 -9.069) 23.321 9.682 ( -8.177 19.868 -9.069) 23.321 10.173 ( 0.722 -9.308 -1.196) 9.412 10.173 ( 0.722 9.308 -1.196) 9.412 10.283 ( -0.817 -10.039 -1.078) 10.130 10.283 ( -0.817 10.039 -1.078) 10.130 11.941 ( 2.999 -5.449 -1.531) 6.405 11.941 ( 2.999 5.449 -1.531) 6.405 12.283 ( -4.773 -6.492 11.577) 14.104 12.283 ( -4.773 6.492 11.577) 14.104 13.499 ( 7.828 -9.290 -4.170) 12.844 13.499 ( 7.828 9.290 -4.170) 12.844 13.824 ( -0.761 -4.707 -2.015) 5.177 13.824 ( -0.761 4.707 -2.015) 5.177 19.399 ( 8.411 -11.341 0.765) 14.140 19.399 ( 8.411 11.341 0.765) 14.140 19.925 ( -1.736 -4.462 -0.788) 4.852 19.925 ( -1.736 4.462 -0.788) 4.852 20.072 ( 2.369 -8.092 5.603) 10.124 20.072 ( 2.369 8.092 5.603) 10.124 21.188 ( -24.650 -7.994 0.280) 25.915 21.188 ( -24.650 7.994 0.280) 25.915 22.481 ( 3.558 -7.161 0.109) 7.997 22.481 ( 3.558 7.161 0.109) 7.997 22.688 ( -1.222 -6.488 2.218) 6.965 22.688 ( -1.222 6.488 2.218) 6.965 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.38 -0.50 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 10.475 -14.069 -5.702) 18.444 1.811 ( 10.475 14.069 -5.702) 18.444 2.008 ( 8.874 -13.112 -4.038) 16.340 2.008 ( 8.874 13.112 -4.038) 16.340 2.277 ( -2.793 -11.617 -7.119) 13.908 2.277 ( -2.793 11.617 -7.119) 13.908 2.540 ( -7.384 -8.362 1.357) 11.238 2.540 ( -7.384 8.362 1.357) 11.238 3.131 ( 4.295 -10.622 8.492) 14.262 3.131 ( 4.295 10.622 8.492) 14.262 3.178 ( 4.115 -15.688 13.161) 20.887 3.178 ( 4.115 15.688 13.161) 20.887 3.635 ( 2.875 -6.761 -5.152) 8.973 3.635 ( 2.875 6.761 -5.152) 8.973 3.753 ( -0.199 -6.713 -2.593) 7.199 3.753 ( -0.199 6.713 -2.593) 7.199 4.098 ( 2.314 -6.216 -2.479) 7.081 4.098 ( 2.314 6.216 -2.479) 7.081 4.438 ( -2.448 -6.459 1.923) 7.170 4.438 ( -2.448 6.459 1.923) 7.170 4.718 ( -7.639 -3.270 -1.211) 8.398 4.718 ( -7.639 3.270 -1.211) 8.398 4.795 ( -8.384 -4.777 0.950) 9.696 4.795 ( -8.384 4.777 0.950) 9.696 5.940 ( 4.843 -18.853 0.377) 19.469 5.940 ( 4.843 18.853 0.377) 19.469 6.088 ( -2.136 -19.161 2.246) 19.410 6.088 ( -2.136 19.161 2.246) 19.410 7.110 ( 9.778 -8.259 2.338) 13.011 7.110 ( 9.778 8.259 2.338) 13.011 7.465 ( -8.012 -1.568 3.324) 8.815 7.465 ( -8.012 1.568 3.324) 8.815 9.073 ( 10.143 -16.312 -8.650) 21.066 9.073 ( 10.143 16.312 -8.650) 21.066 9.499 ( -10.122 -20.442 -8.878) 24.477 9.499 ( -10.122 20.442 -8.878) 24.477 10.193 ( 1.289 -10.668 -1.206) 10.813 10.193 ( 1.289 10.668 -1.206) 10.813 10.258 ( -1.599 -11.192 -1.396) 11.392 10.258 ( -1.599 11.192 -1.396) 11.392 12.011 ( 3.955 -7.068 2.235) 8.402 12.011 ( 3.955 7.068 2.235) 8.402 12.188 ( -4.747 -7.323 9.146) 12.642 12.188 ( -4.747 7.323 9.146) 12.642 13.641 ( 6.190 -9.918 -5.204) 12.797 13.641 ( 6.190 9.918 -5.204) 12.797 13.798 ( -1.980 -6.762 -3.505) 7.870 13.798 ( -1.980 6.762 -3.505) 7.870 19.588 ( 10.029 -11.839 -0.688) 15.531 19.588 ( 10.029 11.839 -0.688) 15.531 19.873 ( -3.677 -4.359 -1.572) 5.915 19.873 ( -3.677 4.359 -1.572) 5.915 20.152 ( 6.250 -6.231 5.431) 10.362 20.152 ( 6.250 6.231 5.431) 10.362 20.714 ( -21.893 -10.958 3.624) 24.749 20.714 ( -21.893 10.958 3.624) 24.749 22.549 ( 3.289 -6.555 0.357) 7.342 22.549 ( 3.289 6.555 0.357) 7.342 22.657 ( -1.956 -6.062 1.566) 6.560 22.657 ( -1.956 6.062 1.566) 6.560 ======================= Grid point 98 (40/100) ======================= q-point: (-0.50 -0.50 0.11) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -7.533 -13.740 -6.642) 17.020 1.997 ( 7.533 -13.740 -6.642) 17.020 1.997 ( -7.533 13.740 -6.642) 17.020 1.997 ( 7.533 13.740 -6.642) 17.020 2.367 ( -9.016 -10.677 -0.520) 13.985 2.367 ( 8.126 -10.497 -0.520) 13.285 2.367 ( -8.126 10.497 -0.520) 13.285 2.367 ( 9.016 10.677 -0.520) 13.985 3.198 ( -1.582 -15.514 9.194) 18.103 3.198 ( 1.530 -15.512 9.194) 18.097 3.198 ( -1.530 15.512 9.194) 18.097 3.198 ( 1.582 15.514 9.194) 18.103 3.703 ( -3.667 -6.785 -5.387) 9.407 3.703 ( 3.550 -6.769 -5.387) 9.351 3.703 ( -3.550 6.769 -5.387) 9.351 3.703 ( 3.667 6.785 -5.387) 9.407 4.268 ( -12.052 -10.066 1.122) 15.743 4.268 ( 10.384 -9.590 1.122) 14.179 4.268 ( -10.384 9.590 1.122) 14.179 4.268 ( 12.052 10.066 1.122) 15.743 4.680 ( -2.882 -2.652 0.697) 3.978 4.680 ( 0.369 -2.234 0.697) 2.369 4.680 ( -0.369 2.234 0.697) 2.369 4.680 ( 2.882 2.652 0.697) 3.978 6.028 ( -3.847 -18.894 1.488) 19.339 6.028 ( 3.846 -18.894 1.488) 19.339 6.028 ( -3.846 18.894 1.488) 19.339 6.028 ( 3.847 18.894 1.488) 19.339 7.296 ( -8.926 -3.712 2.984) 10.117 7.296 ( -7.844 3.040 2.984) 8.926 7.296 ( 7.844 -3.040 2.984) 8.926 7.296 ( 8.926 3.712 2.984) 10.117 9.286 ( -10.971 -19.444 -8.637) 23.938 9.286 ( 10.942 -19.440 -8.637) 23.922 9.286 ( -10.942 19.440 -8.637) 23.922 9.286 ( 10.971 19.444 -8.637) 23.938 10.224 ( -1.672 -11.680 -1.373) 11.879 10.224 ( 1.659 -11.680 -1.373) 11.877 10.224 ( -1.659 11.680 -1.373) 11.877 10.224 ( 1.672 11.680 -1.373) 11.879 12.096 ( -3.626 -10.396 5.918) 12.500 12.096 ( 2.698 -10.325 5.918) 12.203 12.096 ( -2.698 10.325 5.918) 12.203 12.096 ( 3.626 10.396 5.918) 12.500 13.741 ( -3.649 -9.556 -4.796) 11.297 13.741 ( 3.360 -9.529 -4.796) 11.185 13.741 ( -3.360 9.529 -4.796) 11.185 13.741 ( 3.649 9.556 -4.796) 11.297 19.767 ( -6.848 -9.002 -1.945) 11.476 19.767 ( 5.266 -8.732 -1.945) 10.381 19.767 ( -5.266 8.732 -1.945) 10.381 19.767 ( 6.848 9.002 -1.945) 11.476 20.349 ( -14.136 -7.909 5.422) 17.082 20.349 ( 7.945 -5.327 5.422) 10.995 20.349 ( -7.945 5.327 5.422) 10.995 20.349 ( 14.136 7.909 5.422) 17.082 22.610 ( -2.374 -7.365 0.893) 7.790 22.610 ( 2.028 -7.340 0.893) 7.667 22.610 ( -2.028 7.340 0.893) 7.667 22.610 ( 2.374 7.365 0.893) 7.790 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 0.000 21.699) 21.699 1.197 ( 0.000 0.000 26.424) 26.424 1.929 ( 0.000 0.000 13.975) 13.975 1.996 ( 0.000 0.000 44.729) 44.729 2.127 ( 0.000 0.000 -9.083) 9.083 2.332 ( 0.000 0.000 5.107) 5.107 2.464 ( 0.000 0.000 -6.913) 6.913 2.589 ( 0.000 0.000 -15.726) 15.726 2.764 ( 0.000 0.000 22.283) 22.283 2.892 ( 0.000 0.000 -8.691) 8.691 3.042 ( 0.000 0.000 -19.159) 19.159 3.261 ( 0.000 0.000 -18.630) 18.630 3.269 ( 0.000 0.000 -2.037) 2.037 3.460 ( 0.000 0.000 -1.232) 1.232 3.741 ( 0.000 0.000 8.087) 8.087 3.972 ( 0.000 0.000 8.774) 8.774 4.079 ( 0.000 0.000 9.420) 9.420 4.195 ( 0.000 0.000 4.614) 4.614 4.586 ( 0.000 0.000 10.259) 10.259 4.858 ( 0.000 0.000 6.712) 6.712 4.879 ( 0.000 0.000 -10.860) 10.860 4.990 ( 0.000 0.000 -1.836) 1.836 5.011 ( 0.000 0.000 -10.316) 10.316 5.095 ( 0.000 0.000 -9.161) 9.161 5.245 ( 0.000 0.000 -8.133) 8.133 5.385 ( 0.000 0.000 -11.769) 11.769 6.167 ( 0.000 0.000 17.148) 17.148 6.647 ( 0.000 0.000 -0.160) 0.160 6.831 ( 0.000 0.000 -1.122) 1.122 7.477 ( 0.000 0.000 2.467) 2.467 7.575 ( 0.000 0.000 2.965) 2.965 8.318 ( 0.000 0.000 11.229) 11.229 8.328 ( 0.000 0.000 -9.719) 9.719 8.528 ( 0.000 0.000 -15.549) 15.549 8.566 ( 0.000 0.000 -14.712) 14.712 9.640 ( 0.000 0.000 -4.763) 4.763 9.771 ( 0.000 0.000 -5.625) 5.625 10.479 ( 0.000 0.000 4.341) 4.341 10.550 ( 0.000 0.000 -18.701) 18.701 10.639 ( 0.000 0.000 -0.123) 0.123 11.792 ( 0.000 0.000 4.246) 4.246 11.891 ( 0.000 0.000 3.088) 3.088 12.505 ( 0.000 0.000 7.054) 7.054 12.865 ( 0.000 0.000 0.714) 0.714 12.889 ( 0.000 0.000 9.374) 9.374 13.359 ( 0.000 0.000 0.182) 0.182 13.842 ( 0.000 0.000 -4.742) 4.742 13.995 ( 0.000 0.000 -6.149) 6.149 18.905 ( 0.000 0.000 3.594) 3.594 19.485 ( 0.000 0.000 12.932) 12.932 19.568 ( 0.000 0.000 -4.810) 4.810 19.677 ( 0.000 0.000 6.639) 6.639 19.964 ( 0.000 0.000 3.558) 3.558 20.787 ( 0.000 0.000 13.613) 13.613 21.281 ( 0.000 0.000 -14.024) 14.024 22.133 ( 0.000 0.000 -5.395) 5.395 22.381 ( 0.000 0.000 2.108) 2.108 22.530 ( 0.000 0.000 5.434) 5.434 22.552 ( 0.000 0.000 -1.296) 1.296 23.112 ( 0.000 0.000 -3.194) 3.194 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.12 0.00 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 7.900 0.000 19.685) 21.211 1.229 ( 3.058 0.000 24.342) 24.534 1.938 ( 1.437 0.000 12.529) 12.611 2.147 ( 14.173 0.000 39.696) 42.150 2.150 ( 0.179 0.000 -2.937) 2.942 2.300 ( -0.968 0.000 -1.708) 1.963 2.448 ( -1.400 0.000 -4.347) 4.567 2.599 ( 0.601 0.000 -12.641) 12.655 2.771 ( 0.111 0.000 17.670) 17.670 2.932 ( 3.347 0.000 -9.716) 10.277 3.058 ( 1.803 0.000 -17.815) 17.906 3.260 ( -0.396 0.000 -18.857) 18.861 3.270 ( 0.269 0.000 -1.239) 1.268 3.444 ( -1.473 0.000 -0.903) 1.727 3.621 ( -8.378 0.000 7.669) 11.358 3.958 ( -1.167 0.000 7.673) 7.762 4.147 ( 6.703 0.000 8.235) 10.618 4.273 ( 5.436 0.000 3.068) 6.241 4.580 ( -0.513 0.000 10.067) 10.080 4.742 ( -8.850 0.000 -4.995) 10.163 4.876 ( -1.239 0.000 0.476) 1.328 4.942 ( -7.449 0.000 -9.689) 12.222 5.056 ( 3.347 0.000 -2.047) 3.923 5.078 ( -1.003 0.000 -7.101) 7.171 5.180 ( -4.362 0.000 -7.421) 8.608 5.391 ( -0.289 0.000 -6.242) 6.248 6.271 ( 10.473 0.000 15.747) 18.912 6.645 ( -0.118 0.000 -0.040) 0.125 6.838 ( 0.445 0.000 -0.747) 0.870 7.499 ( 1.899 0.000 3.674) 4.136 7.599 ( 2.073 0.000 1.889) 2.804 8.153 ( -8.967 0.000 -0.288) 8.971 8.248 ( -7.724 0.000 -6.176) 9.889 8.511 ( -3.701 0.000 -16.388) 16.800 8.804 ( 18.348 0.000 -4.862) 18.981 9.614 ( -2.237 0.000 -3.225) 3.925 9.727 ( -3.696 0.000 -4.834) 6.085 10.479 ( 0.526 0.000 4.002) 4.036 10.516 ( -3.485 0.000 -18.121) 18.453 10.659 ( 1.229 0.000 0.023) 1.230 11.789 ( -0.110 0.000 4.632) 4.634 11.908 ( 1.348 0.000 4.086) 4.302 12.501 ( -0.250 0.000 6.061) 6.067 12.846 ( -1.900 0.000 0.534) 1.974 12.923 ( 3.410 0.000 8.691) 9.336 13.415 ( 4.620 0.000 -2.871) 5.439 13.832 ( -1.005 0.000 -4.376) 4.490 13.971 ( -2.138 0.000 -8.745) 9.002 18.918 ( 1.332 0.000 4.084) 4.296 19.436 ( -3.519 0.000 10.263) 10.850 19.663 ( 7.995 0.000 -2.938) 8.517 19.687 ( 1.095 0.000 6.826) 6.913 19.969 ( 0.498 0.000 3.610) 3.644 20.766 ( -2.099 0.000 12.721) 12.893 21.217 ( -6.354 0.000 -13.611) 15.021 21.745 ( -34.010 0.000 8.640) 35.091 22.280 ( -0.248 0.000 2.555) 2.567 22.433 ( -0.525 0.000 2.466) 2.521 22.808 ( 7.557 0.000 -1.742) 7.755 23.122 ( 0.211 0.000 -1.885) 1.896 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.25 0.00 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 14.544 0.000 15.166) 21.013 1.316 ( 5.672 0.000 19.721) 20.520 2.002 ( 4.929 0.000 9.673) 10.857 2.057 ( -7.994 0.000 6.244) 10.144 2.363 ( 5.274 0.000 -9.039) 10.465 2.396 ( -4.097 0.000 2.280) 4.688 2.502 ( 18.981 0.000 28.816) 34.506 2.604 ( 0.191 0.000 -9.559) 9.561 2.756 ( -1.004 0.000 8.159) 8.220 2.980 ( 0.291 0.000 -11.237) 11.241 3.118 ( 3.967 0.000 -14.870) 15.390 3.222 ( -3.375 0.000 -16.432) 16.775 3.294 ( 2.484 0.000 -0.032) 2.485 3.412 ( -1.412 0.000 -1.335) 1.943 3.519 ( -0.760 0.000 0.087) 0.765 3.943 ( 0.358 0.000 5.444) 5.456 4.330 ( 11.180 0.000 5.809) 12.599 4.355 ( 1.355 0.000 0.667) 1.510 4.511 ( -9.071 0.000 -2.107) 9.312 4.611 ( 0.124 0.000 4.135) 4.137 4.731 ( -13.048 0.000 -6.161) 14.429 4.823 ( -4.131 0.000 4.792) 6.327 4.990 ( -7.213 0.000 -5.380) 8.998 5.049 ( -2.430 0.000 -4.236) 4.883 5.197 ( 3.779 0.000 1.602) 4.104 5.372 ( -1.229 0.000 1.542) 1.972 6.560 ( 17.503 0.000 12.021) 21.233 6.648 ( 0.599 0.000 0.319) 0.678 6.835 ( -0.978 0.000 0.379) 1.049 7.542 ( 2.189 0.000 4.657) 5.146 7.633 ( 0.827 0.000 2.091) 2.249 8.033 ( -2.887 0.000 -7.205) 7.761 8.042 ( -12.312 0.000 -0.102) 12.313 8.407 ( -6.423 0.000 -16.565) 17.767 9.194 ( 20.206 0.000 -4.072) 20.612 9.569 ( -1.998 0.000 -1.413) 2.447 9.650 ( -3.727 0.000 -4.134) 5.566 10.408 ( -7.423 0.000 -16.337) 17.945 10.506 ( 2.042 0.000 3.119) 3.729 10.667 ( -0.475 0.000 0.984) 1.093 11.795 ( 0.875 0.000 5.790) 5.855 11.928 ( 0.309 0.000 6.497) 6.505 12.505 ( 0.946 0.000 3.400) 3.529 12.792 ( -3.463 0.000 0.083) 3.464 13.022 ( 6.354 0.000 6.605) 9.166 13.491 ( 1.712 0.000 -3.558) 3.949 13.807 ( -1.003 0.000 -6.566) 6.642 13.926 ( -2.075 0.000 -13.580) 13.738 18.961 ( 3.078 0.000 5.262) 6.096 19.355 ( -4.606 0.000 9.874) 10.896 19.724 ( 2.677 0.000 7.463) 7.929 19.868 ( 12.332 0.000 -4.626) 13.171 19.980 ( 0.407 0.000 4.274) 4.294 20.704 ( -4.067 0.000 10.637) 11.388 21.036 ( -11.569 0.000 -12.462) 17.004 21.111 ( -26.581 0.000 16.073) 31.062 22.312 ( 2.604 0.000 1.626) 3.070 22.429 ( 0.043 0.000 2.455) 2.456 22.895 ( 2.425 0.000 -0.989) 2.619 23.100 ( -2.373 0.000 0.399) 2.407 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.38 0.00 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 8.538 0.000 15.026) 17.283 1.585 ( 17.794 0.000 11.816) 21.360 1.863 ( -10.554 0.000 7.929) 13.200 2.140 ( 7.972 0.000 7.141) 10.703 2.235 ( -12.025 0.000 8.443) 14.693 2.408 ( -2.260 0.000 -3.242) 3.952 2.653 ( 5.645 0.000 -11.479) 12.792 2.763 ( 2.378 0.000 1.886) 3.035 2.809 ( 7.862 0.000 13.313) 15.461 2.926 ( -5.279 0.000 -11.139) 12.327 3.188 ( 1.863 0.000 -13.420) 13.549 3.199 ( 3.631 0.000 -13.574) 14.051 3.356 ( 2.810 0.000 -1.702) 3.285 3.395 ( -0.325 0.000 -2.616) 2.636 3.584 ( 7.531 0.000 -4.146) 8.597 4.000 ( 5.930 0.000 3.605) 6.939 4.175 ( -15.967 0.000 -5.353) 16.840 4.451 ( -14.291 0.000 -2.909) 14.584 4.474 ( 3.198 0.000 4.250) 5.319 4.571 ( 12.246 0.000 4.303) 12.980 4.642 ( 0.168 0.000 1.603) 1.612 4.730 ( -3.051 0.000 8.046) 8.605 4.859 ( -5.578 0.000 -2.539) 6.128 4.966 ( -6.211 0.000 -1.305) 6.347 5.263 ( 2.774 0.000 5.645) 6.290 5.347 ( -1.419 0.000 6.824) 6.971 6.674 ( 2.141 0.000 0.875) 2.313 6.796 ( -2.900 0.000 1.362) 3.204 6.932 ( 19.200 0.000 8.905) 21.164 7.547 ( -5.075 0.000 3.775) 6.325 7.633 ( 0.807 0.000 4.926) 4.992 7.800 ( -10.001 0.000 3.603) 10.630 8.035 ( 2.793 0.000 -12.276) 12.590 8.267 ( -7.340 0.000 -16.351) 17.923 9.543 ( -0.543 0.000 -1.241) 1.355 9.585 ( -2.629 0.000 -3.064) 4.037 9.589 ( 19.063 0.000 -6.265) 20.067 10.217 ( -11.794 0.000 -13.388) 17.842 10.553 ( 2.539 0.000 2.502) 3.564 10.644 ( -1.728 0.000 1.771) 2.474 11.824 ( 1.980 0.000 7.305) 7.569 11.914 ( -1.652 0.000 8.482) 8.642 12.546 ( 3.106 0.000 0.733) 3.192 12.712 ( -4.405 0.000 -0.379) 4.422 13.167 ( 7.912 0.000 4.188) 8.952 13.457 ( -4.841 0.000 0.528) 4.869 13.813 ( 1.490 0.000 -12.800) 12.886 13.889 ( -1.795 0.000 -15.512) 15.616 19.039 ( 4.686 0.000 6.669) 8.151 19.254 ( -5.467 0.000 9.155) 10.663 19.796 ( 4.527 0.000 8.566) 9.689 19.970 ( -1.984 0.000 6.805) 7.089 20.144 ( 15.135 0.000 -6.742) 16.568 20.616 ( -3.962 0.000 8.829) 9.677 20.727 ( -12.125 0.000 10.434) 15.996 20.769 ( -14.891 0.000 -10.794) 18.391 22.368 ( 2.812 0.000 2.038) 3.473 22.430 ( -0.169 0.000 2.807) 2.812 22.932 ( 1.722 0.000 -0.386) 1.764 23.038 ( -3.450 0.000 1.039) 3.603 ======================= Grid point 130 (45/100) ======================= q-point: (-0.50 0.00 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -10.551 0.000 11.095) 15.311 1.650 ( 10.551 0.000 11.095) 15.311 1.938 ( -17.057 0.000 10.512) 20.036 1.938 ( 17.057 0.000 10.512) 20.036 2.300 ( -7.503 0.000 2.629) 7.950 2.300 ( 7.503 0.000 2.629) 7.950 2.794 ( -7.489 0.000 -11.837) 14.007 2.794 ( 7.489 0.000 -11.837) 14.007 2.826 ( -3.070 0.000 1.091) 3.258 2.826 ( 3.070 0.000 1.091) 3.258 3.238 ( -0.435 0.000 -12.598) 12.605 3.238 ( 0.435 0.000 -12.598) 12.605 3.389 ( -0.672 0.000 -3.021) 3.095 3.389 ( 0.672 0.000 -3.021) 3.095 3.836 ( -16.648 0.000 -2.348) 16.813 3.836 ( 16.648 0.000 -2.348) 16.813 4.182 ( -11.951 0.000 1.212) 12.012 4.182 ( 11.951 0.000 1.212) 12.012 4.561 ( -5.317 0.000 4.313) 6.847 4.561 ( 5.317 0.000 4.313) 6.847 4.765 ( -4.000 0.000 1.498) 4.271 4.765 ( 4.000 0.000 1.498) 4.271 4.800 ( -10.258 0.000 1.361) 10.348 4.800 ( 10.258 0.000 1.361) 10.348 5.312 ( -2.130 0.000 8.076) 8.352 5.312 ( 2.130 0.000 8.076) 8.352 6.730 ( -3.325 0.000 1.404) 3.610 6.730 ( 3.325 0.000 1.404) 3.610 7.299 ( -17.047 0.000 6.396) 18.208 7.299 ( 17.047 0.000 6.396) 18.208 7.682 ( -3.463 0.000 4.638) 5.788 7.682 ( 3.463 0.000 4.638) 5.788 8.129 ( -6.224 0.000 -15.166) 16.394 8.129 ( 6.224 0.000 -15.166) 16.394 9.548 ( -1.085 0.000 -1.932) 2.215 9.548 ( 1.085 0.000 -1.932) 2.215 9.940 ( -15.976 0.000 -9.731) 18.706 9.940 ( 15.976 0.000 -9.731) 18.706 10.603 ( -2.356 0.000 2.161) 3.197 10.603 ( 2.356 0.000 2.161) 3.197 11.870 ( -2.474 0.000 8.539) 8.890 11.870 ( 2.474 0.000 8.539) 8.890 12.623 ( -4.408 0.000 -0.405) 4.426 12.623 ( 4.408 0.000 -0.405) 4.426 13.326 ( -7.727 0.000 2.409) 8.093 13.326 ( 7.727 0.000 2.409) 8.093 13.851 ( -2.034 0.000 -15.294) 15.429 13.851 ( 2.034 0.000 -15.294) 15.429 19.143 ( -5.550 0.000 8.027) 9.759 19.143 ( 5.550 0.000 8.027) 9.759 19.895 ( -5.025 0.000 9.122) 10.415 19.895 ( 5.025 0.000 9.122) 10.415 20.458 ( -16.055 0.000 -8.835) 18.325 20.458 ( 16.055 0.000 -8.835) 18.325 20.592 ( -2.360 0.000 6.913) 7.305 20.592 ( 2.360 0.000 6.913) 7.305 22.414 ( -1.596 0.000 2.679) 3.118 22.414 ( 1.596 0.000 2.679) 3.118 22.975 ( -2.714 0.000 0.397) 2.743 22.975 ( 2.714 0.000 0.397) 2.743 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 5.606 20.228) 20.991 1.019 ( 0.000 -10.748 28.532) 30.489 1.823 ( 0.000 -6.225 14.020) 15.340 2.074 ( 0.000 -8.479 -14.941) 17.179 2.303 ( 0.000 -1.625 6.426) 6.628 2.334 ( 0.000 22.854 34.229) 41.158 2.450 ( 0.000 -1.099 -6.832) 6.919 2.610 ( 0.000 0.959 -12.875) 12.911 2.710 ( 0.000 -8.811 -4.209) 9.765 2.846 ( 0.000 7.556 20.484) 21.834 3.076 ( 0.000 3.853 -18.611) 19.006 3.247 ( 0.000 3.841 -5.760) 6.923 3.515 ( 0.000 4.224 -0.742) 4.289 3.531 ( 0.000 12.099 -14.477) 18.867 3.739 ( 0.000 -3.279 10.429) 10.932 3.945 ( 0.000 -8.811 9.647) 13.065 4.124 ( 0.000 14.112 2.047) 14.259 4.284 ( 0.000 3.888 6.488) 7.564 4.569 ( 0.000 -2.032 8.012) 8.266 4.767 ( 0.000 -5.535 -12.694) 13.848 4.773 ( 0.000 -8.552 4.725) 9.770 4.964 ( 0.000 -1.330 -4.910) 5.087 5.068 ( 0.000 4.259 -8.748) 9.729 5.215 ( 0.000 9.558 -5.322) 10.940 5.316 ( 0.000 5.266 -5.387) 7.533 5.345 ( 0.000 -1.110 -9.253) 9.320 6.223 ( 0.000 5.273 15.797) 16.654 6.519 ( 0.000 -11.492 0.403) 11.499 6.723 ( 0.000 -9.994 -1.663) 10.131 7.382 ( 0.000 -10.245 6.963) 12.387 7.570 ( 0.000 1.472 0.652) 1.610 8.212 ( 0.000 -9.682 -4.865) 10.835 8.366 ( 0.000 4.067 7.867) 8.856 8.544 ( 0.000 1.144 -16.823) 16.862 8.711 ( 0.000 13.627 -16.760) 21.601 9.729 ( 0.000 7.967 -3.723) 8.794 9.813 ( 0.000 3.957 -4.751) 6.183 10.406 ( 0.000 -6.091 -0.212) 6.095 10.446 ( 0.000 -9.236 -14.340) 17.057 10.594 ( 0.000 -4.310 -0.051) 4.311 11.801 ( 0.000 0.704 2.965) 3.047 11.906 ( 0.000 0.156 2.630) 2.634 12.512 ( 0.000 0.969 8.019) 8.078 12.763 ( 0.000 -3.218 5.585) 6.445 13.052 ( 0.000 8.226 2.549) 8.612 13.355 ( 0.000 -0.534 0.465) 0.708 13.834 ( 0.000 -0.716 -4.603) 4.658 13.926 ( 0.000 -5.339 -3.042) 6.145 18.992 ( 0.000 6.492 3.052) 7.173 19.517 ( 0.000 -4.524 -3.223) 5.555 19.606 ( 0.000 9.927 5.565) 11.381 19.751 ( 0.000 7.459 8.488) 11.299 19.987 ( 0.000 1.652 2.585) 3.068 20.696 ( 0.000 -7.998 13.064) 15.317 21.340 ( 0.000 5.116 -13.234) 14.188 22.077 ( 0.000 -5.880 -6.182) 8.532 22.388 ( 0.000 0.521 2.011) 2.078 22.488 ( 0.000 -4.695 0.939) 4.788 22.557 ( 0.000 2.733 5.029) 5.724 23.045 ( 0.000 -5.531 -0.930) 5.609 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.12 0.17 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 2.612 -4.782 23.625) 24.245 1.252 ( 13.373 2.912 18.423) 22.950 1.844 ( 2.652 -6.141 11.763) 13.532 2.128 ( 4.236 -6.404 -11.560) 13.878 2.246 ( -4.113 -2.192 4.353) 6.378 2.425 ( 7.764 17.707 27.971) 34.003 2.463 ( 1.447 1.241 -2.342) 3.020 2.578 ( -2.770 0.460 -8.115) 8.587 2.754 ( 3.743 -8.961 -5.465) 11.143 2.859 ( 1.010 7.021 16.395) 17.863 3.084 ( 0.854 3.216 -17.626) 17.938 3.240 ( -0.631 4.405 -5.995) 7.466 3.486 ( -2.356 6.122 -2.852) 7.153 3.547 ( 1.104 9.311 -10.977) 14.436 3.697 ( -4.382 2.206 8.230) 9.581 3.976 ( -1.957 -0.457 4.857) 5.256 4.038 ( 0.816 -1.133 8.644) 8.756 4.311 ( 0.573 -0.982 4.047) 4.204 4.569 ( 0.183 -1.455 6.969) 7.121 4.696 ( -5.499 -1.499 -7.201) 9.184 4.791 ( 0.358 -7.446 -0.441) 7.468 4.974 ( -3.777 -0.724 -6.379) 7.448 5.012 ( -3.364 -0.138 -7.615) 8.326 5.170 ( -3.686 8.533 -3.601) 9.968 5.231 ( -2.466 2.454 -4.506) 5.693 5.439 ( 3.993 6.602 -3.827) 8.613 6.324 ( 9.711 4.151 13.651) 17.259 6.526 ( 1.039 -10.060 1.053) 10.168 6.737 ( 0.947 -9.412 -1.300) 9.548 7.395 ( 1.282 -9.887 6.162) 11.720 7.591 ( 1.611 0.396 0.739) 1.817 8.133 ( -6.991 -7.396 -1.392) 10.272 8.258 ( -5.911 6.246 -4.927) 9.911 8.656 ( -2.289 12.563 -16.513) 20.874 8.778 ( 14.472 -1.382 -6.809) 16.053 9.706 ( -2.089 8.067 -2.557) 8.717 9.782 ( -2.547 5.028 -4.546) 7.241 10.395 ( -2.605 -9.505 -13.198) 16.472 10.431 ( 0.151 -5.382 -0.664) 5.424 10.608 ( 0.892 -4.847 -0.542) 4.958 11.798 ( 0.053 0.802 3.669) 3.756 11.936 ( 2.442 1.520 3.311) 4.386 12.497 ( -1.247 -0.196 7.361) 7.468 12.752 ( -1.158 -3.876 5.461) 6.796 13.066 ( 1.617 8.082 2.865) 8.726 13.412 ( 4.812 -0.437 -2.773) 5.571 13.821 ( -1.385 -1.072 -3.852) 4.232 13.910 ( -1.361 -4.699 -5.898) 7.663 19.004 ( 1.257 6.633 3.520) 7.613 19.540 ( -0.328 5.289 -0.028) 5.299 19.624 ( 4.182 -0.041 2.312) 4.779 19.759 ( 0.892 7.081 8.294) 10.942 19.994 ( 0.660 1.602 2.350) 2.919 20.678 ( -1.728 -7.702 12.168) 14.504 21.269 ( -6.981 4.492 -12.647) 15.128 21.722 ( -30.370 -2.375 5.588) 30.971 22.296 ( -0.339 1.581 2.697) 3.144 22.462 ( -0.331 2.560 1.872) 3.189 22.756 ( 7.630 -4.517 -0.450) 8.878 23.049 ( -0.019 -6.067 -0.202) 6.070 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.25 0.17 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 11.541 -4.598 17.296) 21.295 1.504 ( 11.724 8.795 12.669) 19.373 1.945 ( 7.391 -4.833 8.401) 12.189 2.084 ( -7.815 2.135 4.947) 9.492 2.280 ( 6.138 -9.104 -10.481) 15.179 2.444 ( -3.404 3.754 -0.406) 5.083 2.519 ( -1.682 -5.240 -7.644) 9.419 2.667 ( 13.807 13.082 25.493) 31.807 2.816 ( 1.079 -5.817 -4.147) 7.225 2.880 ( 1.395 5.348 7.694) 9.474 3.113 ( 1.911 1.027 -14.781) 14.939 3.224 ( -0.913 5.899 -7.444) 9.542 3.442 ( -0.940 6.023 -1.459) 6.268 3.564 ( -0.352 8.434 -7.737) 11.451 3.597 ( -3.450 7.320 0.950) 8.147 3.911 ( -1.120 -2.163 4.914) 5.484 4.177 ( 8.040 -9.992 3.367) 13.259 4.296 ( -0.842 -7.040 3.851) 8.069 4.526 ( -8.855 1.508 -0.156) 8.984 4.610 ( 0.815 -0.246 -1.913) 2.094 4.762 ( -4.559 -2.723 -0.860) 5.379 4.827 ( -6.050 2.552 1.272) 6.688 4.922 ( -6.346 -4.128 -6.074) 9.706 5.068 ( -6.274 1.044 -2.474) 6.824 5.266 ( 4.259 7.132 1.383) 8.421 5.482 ( 0.463 10.113 1.841) 10.290 6.509 ( 4.213 -9.564 1.984) 10.637 6.639 ( 14.087 4.068 9.552) 17.500 6.743 ( -0.644 -8.673 0.029) 8.696 7.434 ( 2.647 -8.867 4.376) 10.236 7.611 ( -0.083 -1.457 1.504) 2.096 7.959 ( -10.452 -6.111 1.307) 12.177 8.175 ( -1.888 10.488 -8.403) 13.571 8.558 ( -6.442 13.931 -16.550) 22.572 9.115 ( 17.845 -6.826 -5.247) 19.814 9.659 ( -2.275 7.643 -1.500) 8.115 9.731 ( -2.195 7.148 -3.866) 8.418 10.295 ( -7.051 -10.050 -14.871) 19.284 10.459 ( 2.110 -4.285 2.219) 5.266 10.614 ( -0.426 -5.125 -0.188) 5.146 11.813 ( 1.533 1.753 5.233) 5.728 11.977 ( 1.148 3.944 5.718) 7.041 12.479 ( -0.143 -2.657 5.063) 5.720 12.715 ( -2.570 -4.777 4.273) 6.905 13.126 ( 4.453 7.391 2.536) 8.994 13.498 ( 2.635 0.555 -4.480) 5.227 13.784 ( -1.694 -2.182 -5.681) 6.317 13.882 ( -1.317 -3.465 -10.668) 11.294 19.047 ( 3.215 7.164 4.471) 9.036 19.480 ( -4.668 10.871 4.341) 12.602 19.775 ( 7.124 -3.361 1.667) 8.051 19.796 ( 5.307 3.118 4.867) 7.847 20.017 ( 1.949 1.684 1.499) 2.980 20.630 ( -2.938 -6.543 9.943) 12.260 21.056 ( -16.541 2.037 -5.962) 17.700 21.141 ( -22.496 2.269 8.515) 24.160 22.328 ( 2.729 1.667 1.716) 3.629 22.459 ( -0.042 2.755 2.031) 3.423 22.848 ( 2.559 -4.491 -0.504) 5.194 23.029 ( -2.037 -6.208 1.079) 6.622 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.38 0.17 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 13.657 -2.943 12.557) 18.784 1.717 ( 7.603 6.385 9.468) 13.720 1.919 ( -5.747 5.534 6.556) 10.326 2.118 ( 9.216 -2.621 5.196) 10.900 2.285 ( -9.484 3.079 2.523) 10.285 2.377 ( -0.892 -2.322 -2.023) 3.206 2.540 ( 4.411 -8.820 -10.497) 14.403 2.773 ( -4.021 -5.080 -6.237) 8.993 2.899 ( 4.168 5.197 4.967) 8.310 2.921 ( 4.242 6.962 10.919) 13.627 3.144 ( 1.801 1.389 -11.285) 11.512 3.212 ( -0.174 4.482 -10.062) 11.017 3.491 ( 3.924 6.377 -1.171) 7.579 3.534 ( -0.258 10.496 -3.154) 10.962 3.613 ( 5.562 2.388 -5.722) 8.330 3.938 ( 3.598 -5.773 3.759) 7.772 4.162 ( -7.723 -5.435 -2.463) 9.760 4.245 ( -13.073 -4.774 -2.741) 14.185 4.468 ( 10.642 -7.333 7.141) 14.765 4.633 ( -0.678 2.645 -3.709) 4.606 4.680 ( -0.259 2.920 4.701) 5.540 4.742 ( -3.954 0.990 6.329) 7.528 4.808 ( -4.201 -4.256 -3.972) 7.180 4.921 ( -8.586 -2.809 0.573) 9.052 5.353 ( 4.072 8.461 4.500) 10.413 5.469 ( -1.575 10.962 5.764) 12.484 6.571 ( 3.177 -9.412 0.988) 9.983 6.707 ( -2.772 -8.162 1.255) 8.711 6.975 ( 17.770 3.519 8.258) 19.908 7.489 ( 1.300 -6.109 2.768) 6.831 7.572 ( -3.661 -3.435 3.308) 6.012 7.738 ( -10.263 -4.915 3.894) 12.027 8.187 ( 2.916 12.559 -11.235) 17.101 8.417 ( -7.338 13.786 -15.612) 22.082 9.448 ( 13.964 -9.023 -7.458) 18.222 9.622 ( -1.469 6.043 -2.303) 6.632 9.717 ( 1.968 8.179 -2.390) 8.746 10.117 ( -10.747 -8.571 -11.814) 18.125 10.506 ( 2.454 -4.479 1.579) 5.346 10.592 ( -1.600 -4.992 0.535) 5.269 11.857 ( 2.820 3.249 7.042) 8.252 11.971 ( -1.723 5.235 8.181) 9.864 12.502 ( 2.522 -4.419 2.497) 5.668 12.650 ( -3.802 -4.999 2.753) 6.858 13.237 ( 6.501 5.907 1.441) 8.901 13.484 ( -3.908 2.604 -0.907) 4.783 13.781 ( 1.383 -3.085 -11.966) 12.435 13.855 ( -1.529 -2.946 -13.039) 13.455 19.131 ( 5.128 8.114 5.278) 10.954 19.371 ( -6.114 10.460 5.360) 13.249 19.848 ( 3.766 4.385 8.483) 10.266 19.942 ( 2.808 -3.030 3.792) 5.608 20.124 ( 10.780 -1.366 -4.047) 11.596 20.577 ( -1.852 -4.141 6.878) 8.239 20.673 ( -16.183 -1.328 6.034) 17.322 20.830 ( -13.707 2.506 -3.314) 14.322 22.388 ( 2.983 1.949 1.957) 4.066 22.457 ( -0.350 2.571 2.457) 3.574 22.884 ( 1.558 -4.531 -0.183) 4.795 22.976 ( -2.973 -5.624 1.258) 6.485 ======================= Grid point 139 (50/100) ======================= q-point: (-0.50 0.17 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -11.849 -0.883 9.799) 15.402 1.617 ( 11.849 -0.883 9.799) 15.402 2.051 ( -12.656 8.267 6.393) 16.413 2.051 ( 12.656 8.267 6.393) 16.413 2.288 ( -7.277 -1.903 1.591) 7.688 2.288 ( 7.277 -1.903 1.591) 7.688 2.663 ( -6.586 -8.439 -9.364) 14.223 2.663 ( 6.586 -8.439 -9.364) 14.223 2.941 ( -1.695 6.665 2.258) 7.239 2.941 ( 1.695 6.665 2.258) 7.239 3.196 ( -2.061 1.531 -9.168) 9.520 3.196 ( 2.061 1.531 -9.168) 9.520 3.526 ( -1.028 7.476 -4.919) 9.008 3.526 ( 1.028 7.476 -4.919) 9.008 3.870 ( -16.705 3.854 -2.097) 17.272 3.870 ( 16.705 3.854 -2.097) 17.272 4.056 ( -6.950 -9.948 2.738) 12.440 4.056 ( 6.950 -9.948 2.738) 12.440 4.630 ( -1.318 2.246 1.478) 2.994 4.630 ( 1.318 2.246 1.478) 2.994 4.710 ( -5.654 -3.873 0.710) 6.890 4.710 ( 5.654 -3.873 0.710) 6.890 4.757 ( -1.705 -2.591 3.942) 5.016 4.757 ( 1.705 -2.591 3.942) 5.016 5.423 ( -2.957 10.130 6.470) 12.378 5.423 ( 2.957 10.130 6.470) 12.378 6.640 ( -3.652 -8.324 1.442) 9.204 6.640 ( 3.652 -8.324 1.442) 9.204 7.313 ( -15.386 0.834 5.661) 16.415 7.313 ( 15.386 0.834 5.661) 16.415 7.601 ( -4.520 -6.277 3.632) 8.545 7.601 ( 4.520 -6.277 3.632) 8.545 8.280 ( -6.106 13.364 -13.827) 20.176 8.280 ( 6.106 13.364 -13.827) 20.176 9.593 ( -2.181 1.691 -4.680) 5.434 9.593 ( 2.181 1.691 -4.680) 5.434 9.878 ( -12.468 -3.590 -7.099) 14.789 9.878 ( 12.468 -3.590 -7.099) 14.789 10.553 ( -2.235 -4.754 1.081) 5.363 10.553 ( 2.235 -4.754 1.081) 5.363 11.919 ( -3.154 4.669 8.407) 10.121 11.919 ( 3.154 4.669 8.407) 10.121 12.570 ( -4.003 -4.913 1.868) 6.607 12.570 ( 4.003 -4.913 1.868) 6.607 13.372 ( -6.692 4.239 0.475) 7.936 13.372 ( 6.692 4.239 0.475) 7.936 13.819 ( -2.027 -2.977 -13.795) 14.257 13.819 ( 2.027 -2.977 -13.795) 14.257 19.246 ( -6.215 9.324 5.616) 12.534 19.246 ( 6.215 9.324 5.616) 12.534 19.924 ( -3.252 2.019 7.946) 8.820 19.924 ( 3.252 2.019 7.946) 8.820 20.386 ( -13.655 -4.720 -4.232) 15.054 20.386 ( 13.655 -4.720 -4.232) 15.054 20.616 ( -6.170 0.627 4.216) 7.499 20.616 ( 6.170 0.627 4.216) 7.499 22.437 ( -1.774 2.266 2.442) 3.774 22.437 ( 1.774 2.266 2.442) 3.774 22.922 ( -2.336 -4.953 0.503) 5.499 22.922 ( 2.336 -4.953 0.503) 5.499 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.000 6.798 14.391) 15.916 1.172 ( 0.000 9.893 16.950) 19.626 1.651 ( 0.000 -10.368 12.741) 16.426 1.734 ( 0.000 -21.670 -13.938) 25.766 2.300 ( 0.000 1.077 3.062) 3.245 2.412 ( 0.000 -2.846 -6.198) 6.820 2.584 ( 0.000 -0.073 -8.923) 8.923 2.620 ( 0.000 -1.772 -3.412) 3.845 2.855 ( 0.000 23.789 25.904) 35.170 3.058 ( 0.000 12.194 17.300) 21.165 3.206 ( 0.000 7.939 -15.271) 17.212 3.368 ( 0.000 6.164 -3.816) 7.249 3.597 ( 0.000 -6.165 9.505) 11.329 3.629 ( 0.000 -4.820 -6.494) 8.087 3.630 ( 0.000 3.372 4.202) 5.388 3.765 ( 0.000 -6.170 7.743) 9.900 4.271 ( 0.000 -5.891 4.331) 7.312 4.339 ( 0.000 0.467 1.252) 1.336 4.513 ( 0.000 -0.213 -0.153) 0.262 4.556 ( 0.000 -7.183 -1.614) 7.362 4.787 ( 0.000 5.365 -8.198) 9.798 4.939 ( 0.000 -1.521 -6.383) 6.562 5.194 ( 0.000 7.418 -7.315) 10.418 5.281 ( 0.000 0.326 -5.013) 5.023 5.435 ( 0.000 7.561 -1.171) 7.651 5.589 ( 0.000 20.314 -4.571) 20.822 6.137 ( 0.000 -18.389 -0.516) 18.396 6.441 ( 0.000 -16.920 -2.696) 17.134 6.457 ( 0.000 11.139 13.703) 17.659 7.096 ( 0.000 -16.254 9.648) 18.902 7.641 ( 0.000 5.271 0.586) 5.303 7.990 ( 0.000 -10.928 -1.030) 10.976 8.460 ( 0.000 4.516 -0.073) 4.517 8.561 ( 0.000 0.119 -14.548) 14.548 9.088 ( 0.000 21.796 -18.823) 28.799 9.871 ( 0.000 -3.292 -10.802) 11.292 9.928 ( 0.000 10.282 -2.314) 10.540 10.194 ( 0.000 -8.446 -11.526) 14.289 10.310 ( 0.000 -4.936 2.286) 5.439 10.467 ( 0.000 -7.680 0.305) 7.686 11.814 ( 0.000 0.515 0.892) 1.030 11.877 ( 0.000 -2.433 2.155) 3.250 12.558 ( 0.000 3.578 9.495) 10.147 12.716 ( 0.000 -2.337 6.684) 7.080 13.193 ( 0.000 5.336 1.085) 5.445 13.332 ( 0.000 -1.813 0.899) 2.024 13.816 ( 0.000 -0.915 -3.968) 4.072 13.832 ( 0.000 -3.038 -1.276) 3.295 19.127 ( 0.000 6.525 3.454) 7.382 19.401 ( 0.000 -6.368 -0.409) 6.381 19.801 ( 0.000 8.324 -0.592) 8.345 19.977 ( 0.000 13.001 10.390) 16.642 20.003 ( 0.000 -0.700 0.817) 1.076 20.490 ( 0.000 -11.384 13.129) 17.377 21.475 ( 0.000 7.904 -12.233) 14.564 21.893 ( 0.000 -11.014 -7.515) 13.334 22.395 ( 0.000 0.167 1.983) 1.990 22.417 ( 0.000 -1.872 2.241) 2.920 22.643 ( 0.000 5.537 3.849) 6.743 22.915 ( 0.000 -6.731 1.134) 6.825 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.12 0.33 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 4.668 9.929 11.442) 15.852 1.352 ( 14.499 6.514 14.145) 21.278 1.687 ( 3.916 -9.768 6.468) 12.352 1.810 ( 7.010 -19.908 -8.467) 22.741 2.254 ( -4.275 2.020 2.582) 5.387 2.410 ( -0.494 -4.114 -6.101) 7.375 2.574 ( -0.885 1.027 -7.504) 7.626 2.646 ( 2.160 -2.796 -4.227) 5.509 2.900 ( 4.433 22.376 24.553) 33.514 3.053 ( -0.228 11.716 16.024) 19.852 3.213 ( 0.612 8.270 -14.039) 16.306 3.374 ( 0.463 6.584 -3.065) 7.277 3.593 ( -2.387 -1.171 4.531) 5.253 3.607 ( 0.775 -4.152 6.831) 8.031 3.626 ( -0.871 -1.813 -6.125) 6.447 3.824 ( 5.357 -7.058 6.914) 11.239 4.165 ( -9.160 -3.744 5.389) 11.268 4.294 ( -7.756 8.764 -2.601) 11.989 4.432 ( 1.470 -11.995 0.648) 12.102 4.638 ( 2.000 -5.078 0.613) 5.492 4.762 ( -2.374 5.284 -6.891) 9.003 4.917 ( -2.657 -2.831 -5.704) 6.900 5.092 ( -8.791 5.669 -6.071) 12.095 5.226 ( -6.060 0.071 -3.889) 7.201 5.411 ( 1.448 12.290 -1.436) 12.458 5.694 ( 6.084 17.407 -2.113) 18.561 6.156 ( 2.023 -18.540 -0.463) 18.656 6.464 ( 2.190 -14.666 -0.606) 14.841 6.553 ( 8.686 9.623 10.760) 16.847 7.133 ( 3.503 -14.637 7.945) 17.018 7.633 ( -0.849 3.932 0.912) 4.125 7.940 ( -4.810 -9.927 -0.140) 11.032 8.419 ( -1.469 8.282 -6.644) 10.719 8.691 ( 10.164 -4.212 -8.426) 13.858 9.051 ( -3.666 21.600 -18.148) 28.450 9.832 ( -3.479 -3.155 -10.135) 11.170 9.928 ( -0.145 9.983 -2.680) 10.338 10.171 ( -2.205 -6.585 -10.075) 12.236 10.317 ( 0.748 -5.734 1.675) 6.020 10.470 ( 0.093 -8.246 -0.317) 8.253 11.821 ( 1.279 1.584 2.119) 2.939 11.930 ( 4.567 -2.186 2.126) 5.491 12.520 ( -3.554 2.920 9.550) 10.600 12.690 ( -2.504 -3.075 7.286) 8.295 13.212 ( 2.101 6.053 0.799) 6.457 13.387 ( 4.850 -2.229 -2.071) 5.725 13.793 ( -2.100 -1.169 -2.327) 3.346 13.829 ( -0.433 -2.689 -4.269) 5.064 19.149 ( 2.281 7.332 3.457) 8.421 19.459 ( 5.621 -7.012 -0.743) 9.018 19.784 ( -1.726 8.773 -0.577) 8.960 19.971 ( -0.484 11.475 9.712) 15.041 20.007 ( 0.457 0.079 0.978) 1.082 20.480 ( -0.972 -11.047 12.285) 16.550 21.382 ( -9.084 6.200 -11.091) 15.620 21.643 ( -21.879 -5.201 -1.140) 22.517 22.346 ( 0.293 3.289 2.529) 4.159 22.501 ( 2.518 -0.761 0.084) 2.632 22.682 ( 3.039 -0.139 2.887) 4.194 22.908 ( -0.818 -7.153 1.420) 7.338 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.25 0.33 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 11.690 10.132 6.693) 16.856 1.654 ( 14.182 6.076 9.309) 18.020 1.807 ( 7.949 -10.123 0.488) 12.880 1.988 ( 10.306 -15.276 -4.279) 18.918 2.142 ( -6.615 3.645 2.421) 7.931 2.382 ( -2.296 -6.736 -6.672) 9.755 2.541 ( -2.817 3.668 -3.713) 5.931 2.681 ( 0.536 -4.527 -4.692) 6.542 3.008 ( 4.715 16.847 17.753) 24.924 3.070 ( 2.919 11.969 14.759) 19.225 3.230 ( 1.136 8.796 -12.191) 15.076 3.384 ( 0.423 7.318 -2.026) 7.605 3.547 ( -1.411 2.341 1.906) 3.332 3.602 ( -0.875 -4.202 -5.832) 7.241 3.632 ( 1.164 -3.210 4.770) 5.866 3.915 ( -3.171 -3.922 2.243) 5.520 4.003 ( 0.768 -3.182 3.460) 4.763 4.162 ( -4.124 -2.854 -0.288) 5.023 4.474 ( 0.730 -6.438 2.114) 6.816 4.615 ( -3.995 -1.066 -2.345) 4.753 4.712 ( -1.711 1.649 -1.121) 2.628 4.838 ( -4.827 -2.787 -4.255) 7.012 4.904 ( -8.832 3.615 -1.505) 9.661 5.068 ( -9.412 -1.577 -2.503) 9.866 5.488 ( 5.367 14.042 0.385) 15.038 5.771 ( 1.601 17.142 1.512) 17.283 6.217 ( 4.006 -17.414 -0.022) 17.869 6.494 ( 0.329 -14.940 -0.196) 14.945 6.783 ( 13.629 9.006 9.132) 18.715 7.224 ( 5.363 -11.063 4.866) 13.222 7.601 ( -2.568 1.148 1.699) 3.286 7.808 ( -8.165 -7.712 1.802) 11.375 8.425 ( 2.044 13.051 -9.267) 16.136 8.906 ( 4.833 3.858 -11.546) 13.097 8.968 ( 1.710 7.513 -12.529) 14.709 9.745 ( -5.183 -6.037 -10.628) 13.276 9.923 ( -0.238 10.954 -2.130) 11.162 10.109 ( -3.960 -1.852 -6.887) 8.157 10.340 ( 1.469 -7.168 0.611) 7.342 10.465 ( -0.671 -9.014 -0.983) 9.092 11.871 ( 3.596 3.884 4.218) 6.768 12.033 ( 5.129 -0.080 3.527) 6.225 12.436 ( -4.330 0.312 8.995) 9.988 12.622 ( -4.147 -4.807 7.477) 9.809 13.278 ( 4.321 7.055 -0.727) 8.305 13.493 ( 5.049 -1.869 -5.850) 7.950 13.739 ( -3.132 -1.163 -3.323) 4.712 13.813 ( -1.160 -3.083 -7.026) 7.760 19.220 ( 4.873 9.271 3.268) 10.972 19.611 ( 9.130 -8.115 -1.627) 12.323 19.727 ( -4.053 9.996 -0.008) 10.786 19.963 ( -0.402 6.217 7.314) 9.608 20.032 ( 2.575 2.863 1.890) 4.289 20.458 ( -0.898 -9.745 10.195) 14.131 21.114 ( -19.625 3.233 -3.381) 20.175 21.178 ( -19.953 0.910 1.439) 20.025 22.386 ( 3.063 4.037 1.718) 5.351 22.528 ( 0.695 2.843 0.662) 3.001 22.732 ( 1.743 -5.267 1.570) 5.766 22.880 ( -1.982 -7.539 1.732) 7.985 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.38 0.33 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 13.622 8.357 4.371) 16.568 1.831 ( -0.322 5.848 4.307) 7.270 1.984 ( 7.921 -10.967 -3.072) 13.872 2.058 ( 3.436 5.959 4.150) 8.034 2.175 ( 5.620 -9.293 -2.818) 11.220 2.348 ( 1.398 -8.852 -6.263) 10.933 2.444 ( -7.107 5.547 1.119) 9.085 2.640 ( -4.987 -5.673 -4.193) 8.639 3.068 ( 2.593 11.615 8.838) 14.823 3.138 ( 1.588 12.015 10.818) 16.245 3.263 ( 2.302 8.711 -10.002) 13.461 3.366 ( -2.346 8.022 -6.049) 10.317 3.565 ( 1.394 -1.628 -3.674) 4.254 3.606 ( 0.539 -0.688 -1.964) 2.150 3.657 ( 3.865 -5.197 3.221) 7.234 3.856 ( 1.855 -0.985 4.145) 4.646 3.965 ( -5.633 -5.058 -4.224) 8.669 4.239 ( 5.469 -3.589 3.016) 7.203 4.371 ( -6.303 1.646 2.159) 6.863 4.592 ( 1.540 -3.689 -1.387) 4.231 4.697 ( -0.045 -1.806 4.213) 4.584 4.726 ( -5.832 -2.160 -2.437) 6.680 4.778 ( -4.160 1.076 1.983) 4.732 4.865 ( -10.305 -2.970 -0.516) 10.737 5.602 ( 5.722 15.311 2.482) 16.533 5.766 ( -1.839 17.081 3.669) 17.567 6.309 ( 4.916 -15.563 0.754) 16.338 6.472 ( -2.428 -14.319 0.984) 14.556 7.065 ( 14.200 5.184 7.039) 16.675 7.338 ( 5.888 -7.644 3.230) 10.175 7.522 ( -5.835 -1.105 2.603) 6.484 7.627 ( -9.426 -5.343 3.918) 11.522 8.500 ( 5.413 17.063 -11.069) 21.047 8.790 ( -7.938 21.164 -14.947) 27.098 9.202 ( 13.081 -14.512 -8.922) 21.478 9.622 ( -7.414 -11.475 -11.565) 17.899 9.926 ( 0.701 11.599 -1.486) 11.715 10.025 ( -4.134 4.783 -3.511) 7.231 10.373 ( 1.825 -8.318 -0.150) 8.517 10.443 ( -1.444 -9.268 -0.987) 9.432 11.957 ( 4.928 6.331 6.482) 10.314 12.101 ( 0.703 6.013 6.836) 9.131 12.380 ( -0.272 -5.958 6.468) 8.798 12.530 ( -5.009 -6.748 6.572) 10.669 13.377 ( 5.425 7.149 -2.324) 9.270 13.551 ( -0.417 3.001 -4.606) 5.513 13.696 ( 0.045 -4.243 -8.105) 9.149 13.782 ( -1.992 -3.994 -9.153) 10.183 19.339 ( 6.869 11.416 2.535) 13.562 19.621 ( -6.228 12.314 -0.094) 13.800 19.796 ( 8.225 -8.752 -0.383) 12.016 19.951 ( -0.941 0.103 4.525) 4.623 20.131 ( 7.883 4.378 2.531) 9.366 20.462 ( 1.839 -6.823 7.466) 10.280 20.693 ( -19.075 3.168 5.549) 20.116 20.844 ( -15.535 -1.236 -1.136) 15.625 22.453 ( 3.371 4.413 1.661) 5.797 22.533 ( -0.298 4.552 1.532) 4.812 22.758 ( 1.166 -7.120 0.781) 7.257 22.834 ( -2.500 -7.483 1.409) 8.014 ======================= Grid point 148 (55/100) ======================= q-point: (-0.50 0.33 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -11.873 6.564 3.624) 14.042 1.671 ( 11.873 6.564 3.624) 14.042 2.118 ( -5.339 -7.958 -4.362) 10.530 2.118 ( 5.339 -7.958 -4.362) 10.530 2.263 ( -9.737 4.630 3.688) 11.395 2.263 ( 9.737 4.630 3.688) 11.395 2.492 ( -9.126 -6.843 -3.880) 12.048 2.492 ( 9.126 -6.843 -3.880) 12.048 3.122 ( -2.441 11.318 6.704) 13.379 3.122 ( 2.441 11.318 6.704) 13.379 3.315 ( -2.628 8.051 -8.455) 11.967 3.315 ( 2.628 8.051 -8.455) 11.967 3.585 ( -1.220 -2.174 -4.729) 5.346 3.585 ( 1.220 -2.174 -4.729) 5.346 3.796 ( -7.489 -12.450 2.582) 14.756 3.796 ( 7.489 -12.450 2.582) 14.756 4.056 ( -12.860 11.516 0.513) 17.270 4.056 ( 12.860 11.516 0.513) 17.270 4.520 ( -10.355 -8.633 2.753) 13.760 4.520 ( 10.355 -8.633 2.753) 13.760 4.693 ( -4.249 -1.164 -1.175) 4.560 4.693 ( 4.249 -1.164 -1.175) 4.560 4.727 ( -2.722 -0.572 4.018) 4.886 4.727 ( 2.722 -0.572 4.018) 4.886 5.704 ( -4.290 16.438 3.819) 17.413 5.704 ( 4.290 16.438 3.819) 17.413 6.403 ( -4.331 -14.403 1.275) 15.094 6.403 ( 4.331 -14.403 1.275) 15.094 7.329 ( -11.650 1.132 4.626) 12.586 7.329 ( 11.650 1.132 4.626) 12.586 7.470 ( -6.148 -5.783 3.849) 9.276 7.470 ( 6.148 -5.783 3.849) 9.276 8.632 ( -7.603 19.815 -13.011) 24.895 8.632 ( 7.603 19.815 -13.011) 24.895 9.442 ( -10.699 -15.364 -10.989) 21.709 9.442 ( 10.699 -15.364 -10.989) 21.709 9.957 ( -2.511 10.078 -1.597) 10.508 9.957 ( 2.511 10.078 -1.597) 10.508 10.410 ( -1.819 -9.023 -0.652) 9.228 10.410 ( 1.819 -9.023 -0.652) 9.228 12.055 ( -4.417 8.230 8.113) 12.372 12.055 ( 4.417 8.230 8.113) 12.372 12.431 ( -4.519 -8.315 5.427) 10.909 12.431 ( 4.519 -8.315 5.427) 10.909 13.484 ( -5.060 6.243 -3.061) 8.599 13.484 ( 5.060 6.243 -3.061) 8.599 13.734 ( -2.652 -5.088 -10.361) 11.844 13.734 ( 2.652 -5.088 -10.361) 11.844 19.484 ( -7.362 12.680 1.237) 14.715 19.484 ( 7.362 12.680 1.237) 14.715 19.912 ( -3.459 -4.806 2.093) 6.281 19.912 ( 3.459 -4.806 2.093) 6.281 20.351 ( -13.698 2.826 2.817) 14.267 20.351 ( 13.698 2.826 2.817) 14.267 20.586 ( -9.295 -3.724 4.406) 10.939 20.586 ( 9.295 -3.724 4.406) 10.939 22.510 ( -2.130 4.806 1.857) 5.575 22.510 ( 2.130 4.806 1.857) 5.575 22.788 ( -1.975 -7.504 0.780) 7.799 22.788 ( 1.975 -7.504 0.780) 7.799 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 -18.108 -3.044) 18.362 1.257 ( 0.000 18.108 -3.044) 18.362 1.424 ( 0.000 -9.308 12.946) 15.945 1.424 ( 0.000 9.308 12.946) 15.945 2.344 ( 0.000 -3.086 -2.446) 3.938 2.344 ( 0.000 3.086 -2.446) 3.938 2.592 ( 0.000 -1.054 -5.902) 5.996 2.592 ( 0.000 1.054 -5.902) 5.996 3.257 ( 0.000 -2.739 5.528) 6.169 3.257 ( 0.000 2.739 5.528) 6.169 3.351 ( 0.000 -10.686 11.750) 15.883 3.351 ( 0.000 10.686 11.750) 15.883 3.441 ( 0.000 -1.332 5.304) 5.469 3.441 ( 0.000 1.332 5.304) 5.469 3.731 ( 0.000 -2.131 -0.726) 2.251 3.731 ( 0.000 2.131 -0.726) 2.251 4.199 ( 0.000 -3.844 0.319) 3.857 4.199 ( 0.000 3.844 0.319) 3.857 4.534 ( 0.000 -0.398 -1.356) 1.413 4.534 ( 0.000 0.398 -1.356) 1.413 4.887 ( 0.000 -3.686 -7.529) 8.383 4.887 ( 0.000 3.686 -7.529) 8.383 5.285 ( 0.000 -0.940 -4.388) 4.488 5.285 ( 0.000 0.940 -4.388) 4.488 5.716 ( 0.000 -18.859 -1.415) 18.912 5.716 ( 0.000 18.859 -1.415) 18.912 6.043 ( 0.000 -21.046 -3.611) 21.354 6.043 ( 0.000 21.046 -3.611) 21.354 6.753 ( 0.000 -16.292 11.580) 19.988 6.753 ( 0.000 16.292 11.580) 19.988 7.785 ( 0.000 -8.631 0.297) 8.636 7.785 ( 0.000 8.631 0.297) 8.636 8.536 ( 0.000 -2.603 -8.274) 8.673 8.536 ( 0.000 2.603 -8.274) 8.673 9.556 ( 0.000 -22.095 -19.585) 29.525 9.556 ( 0.000 22.095 -19.585) 29.525 10.114 ( 0.000 -6.636 -2.449) 7.074 10.114 ( 0.000 6.636 -2.449) 7.074 10.304 ( 0.000 -6.557 1.288) 6.683 10.304 ( 0.000 6.557 1.288) 6.683 11.832 ( 0.000 -1.537 0.873) 1.768 11.832 ( 0.000 1.537 0.873) 1.768 12.646 ( 0.000 -4.319 8.899) 9.891 12.646 ( 0.000 4.319 8.899) 9.891 13.279 ( 0.000 -3.247 1.032) 3.407 13.279 ( 0.000 3.247 1.032) 3.407 13.804 ( 0.000 -0.002 -2.596) 2.596 13.804 ( 0.000 0.002 -2.596) 2.596 19.264 ( 0.000 -6.741 2.117) 7.065 19.264 ( 0.000 6.741 2.117) 7.065 19.944 ( 0.000 -5.158 -0.836) 5.226 19.944 ( 0.000 5.158 -0.836) 5.226 20.242 ( 0.000 -12.495 12.455) 17.643 20.242 ( 0.000 12.495 12.455) 17.643 21.665 ( 0.000 -10.458 -10.084) 14.528 21.665 ( 0.000 10.458 -10.084) 14.528 22.399 ( 0.000 -0.282 2.053) 2.072 22.399 ( 0.000 0.282 2.053) 2.072 22.774 ( 0.000 -6.841 2.479) 7.276 22.774 ( 0.000 6.841 2.479) 7.276 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.12 -0.50 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 5.657 -19.633 -4.015) 20.823 1.315 ( 5.657 19.633 -4.015) 20.823 1.534 ( 10.223 -8.270 11.425) 17.419 1.534 ( 10.223 8.270 11.425) 17.419 2.319 ( -2.578 -4.135 -2.606) 5.526 2.319 ( -2.578 4.135 -2.606) 5.526 2.601 ( 0.739 -1.744 -5.553) 5.868 2.601 ( 0.739 1.744 -5.553) 5.868 3.261 ( 0.526 -0.178 4.697) 4.730 3.261 ( 0.526 0.178 4.697) 4.730 3.366 ( 1.400 -11.267 12.981) 17.246 3.366 ( 1.400 11.267 12.981) 17.246 3.445 ( 0.348 -3.992 2.577) 4.765 3.445 ( 0.348 3.992 2.577) 4.765 3.731 ( 0.274 -5.148 0.169) 5.158 3.731 ( 0.274 5.148 0.169) 5.158 4.161 ( -4.064 -8.408 -1.123) 9.406 4.161 ( -4.064 8.408 -1.123) 9.406 4.511 ( -1.608 -8.126 0.358) 8.291 4.511 ( -1.608 8.126 0.358) 8.291 4.856 ( -2.835 -3.458 -6.361) 7.775 4.856 ( -2.835 3.458 -6.361) 7.775 5.195 ( -8.209 -3.446 -4.015) 9.766 5.195 ( -8.209 3.446 -4.015) 9.766 5.742 ( 3.018 -19.313 -1.075) 19.577 5.742 ( 3.018 19.313 -1.075) 19.577 6.095 ( 3.722 -19.432 -2.320) 19.920 6.095 ( 3.722 19.432 -2.320) 19.920 6.823 ( 6.685 -14.786 9.870) 18.993 6.823 ( 6.685 14.786 9.870) 18.993 7.754 ( -3.018 -7.678 0.725) 8.281 7.754 ( -3.018 7.678 0.725) 8.281 8.577 ( 4.059 -6.739 -8.349) 11.472 8.577 ( 4.059 6.739 -8.349) 11.472 9.515 ( -3.954 -21.950 -18.636) 29.065 9.515 ( -3.954 21.950 -18.636) 29.065 10.121 ( 0.663 -7.059 -2.335) 7.464 10.121 ( 0.663 7.059 -2.335) 7.464 10.294 ( -1.002 -7.129 0.680) 7.231 10.294 ( -1.002 7.129 0.680) 7.231 11.869 ( 3.608 -3.048 1.573) 4.978 11.869 ( 3.608 3.048 1.573) 4.978 12.607 ( -3.719 -4.756 9.269) 11.062 12.607 ( -3.719 4.756 9.269) 11.062 13.318 ( 3.659 -4.310 -0.551) 5.681 13.318 ( 3.659 4.310 -0.551) 5.681 13.791 ( -1.223 -0.994 -3.132) 3.506 13.791 ( -1.223 0.994 -3.132) 3.506 19.305 ( 4.034 -7.677 1.894) 8.877 19.305 ( 4.034 7.677 1.894) 8.877 19.935 ( -0.914 -5.509 -0.918) 5.659 19.935 ( -0.914 5.509 -0.918) 5.659 20.237 ( -0.388 -12.353 11.728) 17.038 20.237 ( -0.388 12.353 11.728) 17.038 21.517 ( -13.831 -6.662 -7.428) 17.054 21.517 ( -13.831 6.662 -7.428) 17.054 22.429 ( 2.640 -4.517 1.390) 5.413 22.429 ( 2.640 4.517 1.390) 5.413 22.765 ( -0.885 -6.411 2.503) 6.939 22.765 ( -0.885 6.411 2.503) 6.939 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.25 -0.50 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 9.452 -18.673 -4.447) 21.396 1.469 ( 9.452 18.673 -4.447) 21.396 1.783 ( 13.581 -6.578 7.264) 16.747 1.783 ( 13.581 6.578 7.264) 16.747 2.244 ( -4.682 -6.138 -2.825) 8.221 2.244 ( -4.682 6.138 -2.825) 8.221 2.606 ( -0.822 -3.014 -4.003) 5.078 2.606 ( -0.822 3.014 -4.003) 5.078 3.278 ( 1.219 -4.880 5.140) 7.192 3.278 ( 1.219 4.880 5.140) 7.192 3.399 ( 1.556 -9.817 10.784) 14.665 3.399 ( 1.556 9.817 10.784) 14.665 3.452 ( 0.409 -5.568 -3.349) 6.511 3.452 ( 0.409 5.568 -3.349) 6.511 3.746 ( 0.596 -8.760 1.882) 8.980 3.746 ( 0.596 8.760 1.882) 8.980 4.056 ( -4.531 -7.916 -1.950) 9.327 4.056 ( -4.531 7.916 -1.950) 9.327 4.497 ( 0.263 -7.416 2.696) 7.895 4.497 ( 0.263 7.416 2.696) 7.895 4.785 ( -4.233 -2.957 -4.059) 6.568 4.785 ( -4.233 2.957 -4.059) 6.568 4.997 ( -10.826 -4.815 -2.520) 12.113 4.997 ( -10.826 4.815 -2.520) 12.113 5.833 ( 5.743 -18.666 -0.124) 19.530 5.833 ( 5.743 18.666 -0.124) 19.530 6.146 ( 1.044 -18.187 0.202) 18.218 6.146 ( 1.044 18.187 0.202) 18.218 6.993 ( 9.675 -11.037 6.870) 16.205 6.993 ( 9.675 11.037 6.870) 16.205 7.669 ( -5.474 -5.332 1.871) 7.868 7.669 ( -5.474 5.332 1.871) 7.868 8.693 ( 7.399 -12.578 -8.917) 17.102 8.693 ( 7.399 12.578 -8.917) 17.102 9.405 ( -6.929 -21.850 -16.605) 28.305 9.405 ( -6.929 21.850 -16.605) 28.305 10.138 ( 1.037 -8.172 -1.981) 8.472 10.138 ( 1.037 8.172 -1.981) 8.472 10.266 ( -1.699 -8.380 -0.424) 8.561 10.266 ( -1.699 8.380 -0.424) 8.561 11.967 ( 6.014 -5.000 3.326) 8.499 11.967 ( 6.014 5.000 3.326) 8.499 12.509 ( -5.802 -5.624 9.499) 12.471 12.509 ( -5.802 5.624 9.499) 12.471 13.411 ( 5.252 -5.640 -3.623) 8.516 13.411 ( 5.252 5.640 -3.623) 8.516 13.755 ( -2.400 -2.294 -4.462) 5.561 13.755 ( -2.400 2.294 -4.462) 5.561 19.419 ( 7.269 -9.778 1.200) 12.243 19.419 ( 7.269 9.778 1.200) 12.243 19.905 ( -2.166 -6.704 -1.044) 7.122 19.905 ( -2.166 6.704 -1.044) 7.122 20.238 ( 0.931 -11.437 9.882) 15.144 20.238 ( 0.931 11.437 9.882) 15.144 21.170 ( -19.675 -1.760 -2.373) 19.896 21.170 ( -19.675 1.760 -2.373) 19.896 22.491 ( 3.441 -5.505 0.792) 6.540 22.491 ( 3.441 5.505 0.792) 6.540 22.739 ( -1.759 -5.472 2.341) 6.206 22.739 ( -1.759 5.472 2.341) 6.206 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.38 -0.50 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 10.625 -15.680 -3.894) 19.337 1.673 ( 10.625 15.680 -3.894) 19.337 1.988 ( 2.009 -8.516 0.700) 8.778 1.988 ( 2.009 8.516 0.700) 8.778 2.191 ( 3.915 -6.407 -0.196) 7.512 2.191 ( 3.915 6.407 -0.196) 7.512 2.543 ( -5.893 -4.276 -1.187) 7.377 2.543 ( -5.893 4.276 -1.187) 7.377 3.314 ( 2.345 -6.430 4.956) 8.450 3.314 ( 2.345 6.430 4.956) 8.450 3.405 ( -1.151 -4.451 3.826) 5.981 3.405 ( -1.151 4.451 3.826) 5.981 3.481 ( 2.926 -5.617 -5.194) 8.191 3.481 ( 2.926 5.617 -5.194) 8.191 3.693 ( -5.904 -8.195 -2.016) 10.300 3.693 ( -5.904 8.195 -2.016) 10.300 4.089 ( 8.203 -9.170 3.012) 12.667 4.089 ( 8.203 9.170 3.012) 12.667 4.486 ( -3.529 -7.042 2.479) 8.257 4.486 ( -3.529 7.042 2.479) 8.257 4.693 ( -3.774 -1.716 -1.028) 4.272 4.693 ( -3.774 1.716 -1.028) 4.272 4.803 ( -7.624 -2.164 -0.146) 7.926 4.803 ( -7.624 2.164 -0.146) 7.926 5.955 ( 6.148 -17.996 1.061) 19.047 5.955 ( 6.148 17.996 1.061) 19.047 6.135 ( -2.131 -17.822 1.695) 18.029 6.135 ( -2.131 17.822 1.695) 18.029 7.188 ( 9.713 -6.711 5.132) 12.873 7.188 ( 9.713 6.711 5.132) 12.873 7.539 ( -7.508 -2.798 3.203) 8.628 7.539 ( -7.508 2.798 3.203) 8.628 8.863 ( 9.458 -17.527 -10.290) 22.417 8.863 ( 9.458 17.527 -10.290) 22.417 9.246 ( -8.886 -21.678 -14.405) 27.503 9.246 ( -8.886 21.678 -14.405) 27.503 10.162 ( 1.357 -9.338 -1.622) 9.575 10.162 ( 1.357 9.338 -1.622) 9.575 10.229 ( -1.917 -9.489 -1.128) 9.746 10.229 ( -1.917 9.489 -1.128) 9.746 12.099 ( 7.069 -6.238 5.452) 10.891 12.099 ( 7.069 6.238 5.452) 10.891 12.383 ( -6.795 -6.364 8.852) 12.846 12.383 ( -6.795 6.364 8.852) 12.846 13.517 ( 5.278 -5.942 -5.928) 9.915 13.517 ( 5.278 5.942 -5.928) 9.915 13.696 ( -3.525 -3.816 -5.896) 7.858 13.696 ( -3.525 3.816 -5.896) 7.858 19.580 ( 8.452 -11.544 0.095) 14.307 19.580 ( 8.452 11.544 0.095) 14.307 19.844 ( -4.139 -8.798 -1.069) 9.782 19.844 ( -4.139 8.798 -1.069) 9.782 20.295 ( 5.364 -9.141 7.721) 13.113 20.295 ( 5.364 9.141 7.721) 13.113 20.782 ( -18.364 -4.447 2.177) 19.019 20.782 ( -18.364 4.447 2.177) 19.019 22.562 ( 3.665 -4.981 0.795) 6.235 22.562 ( 3.665 4.981 0.795) 6.235 22.695 ( -2.682 -4.698 1.849) 5.717 22.695 ( -2.682 4.698 1.849) 5.717 ======================= Grid point 161 (60/100) ======================= q-point: (-0.50 -0.50 0.22) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -9.184 -12.393 -3.076) 15.728 1.875 ( 9.069 -12.371 -3.076) 15.645 1.875 ( -9.069 12.371 -3.076) 15.645 1.875 ( 9.184 12.393 -3.076) 15.728 2.376 ( -10.336 -5.195 0.955) 11.607 2.376 ( -0.515 -0.587 0.955) 1.234 2.376 ( 0.515 0.587 0.955) 1.234 2.376 ( 10.336 5.195 0.955) 11.607 3.365 ( -1.624 -9.079 2.685) 9.606 3.365 ( 1.124 -9.060 2.685) 9.516 3.365 ( -1.124 9.060 2.685) 9.516 3.365 ( 1.624 9.079 2.685) 9.606 3.568 ( -5.574 -7.367 -4.419) 10.240 3.568 ( 5.038 -7.269 -4.419) 9.887 3.568 ( -5.038 7.269 -4.419) 9.887 3.568 ( 5.574 7.367 -4.419) 10.240 4.310 ( -11.854 -11.767 2.965) 16.964 4.310 ( 10.097 -11.350 2.965) 15.478 4.310 ( -10.097 11.350 2.965) 15.478 4.310 ( 11.854 11.767 2.965) 16.964 4.697 ( -3.274 -1.522 0.926) 3.727 4.697 ( -1.227 -0.115 0.926) 1.542 4.697 ( 1.227 0.115 0.926) 1.542 4.697 ( 3.274 1.522 0.926) 3.727 6.065 ( -4.725 -17.736 1.845) 18.447 6.065 ( 4.724 -17.736 1.845) 18.447 6.065 ( -4.724 17.736 1.845) 18.447 6.065 ( 4.725 17.736 1.845) 18.447 7.374 ( -8.811 -3.338 4.227) 10.327 7.374 ( -6.420 1.428 4.227) 7.818 7.374 ( 6.420 -1.428 4.227) 7.818 7.374 ( 8.811 3.338 4.227) 10.327 9.058 ( -9.825 -20.619 -12.243) 25.915 9.058 ( 9.777 -20.614 -12.243) 25.892 9.058 ( -9.777 20.614 -12.243) 25.892 9.058 ( 9.825 20.619 -12.243) 25.915 10.193 ( -1.488 -11.652 -1.408) 11.831 10.193 ( 1.416 -11.650 -1.408) 11.820 10.193 ( -1.416 11.650 -1.408) 11.820 10.193 ( 1.488 11.652 -1.408) 11.831 12.243 ( -5.997 -9.339 7.410) 13.345 12.243 ( 2.923 -8.965 7.410) 11.993 12.243 ( -2.923 8.965 7.410) 11.993 12.243 ( 5.997 9.339 7.410) 13.345 13.616 ( -4.120 -6.189 -6.616) 9.953 13.616 ( 2.914 -6.015 -6.616) 9.405 13.616 ( -2.914 6.015 -6.616) 9.405 13.616 ( 4.120 6.189 -6.616) 9.953 19.736 ( -6.731 -11.170 -0.828) 13.068 19.736 ( 6.676 -11.162 -0.828) 13.033 19.736 ( -6.676 11.162 -0.828) 13.033 19.736 ( 6.731 11.170 -0.828) 13.068 20.470 ( -12.236 -6.814 5.440) 15.025 20.470 ( 1.665 -3.113 5.440) 6.485 20.470 ( -1.665 3.113 5.440) 6.485 20.470 ( 12.236 6.814 5.440) 15.025 22.633 ( -2.574 -6.964 1.230) 7.526 22.633 ( 1.577 -6.889 1.230) 7.174 22.633 ( -1.577 6.889 1.230) 7.174 22.633 ( 2.574 6.964 1.230) 7.526 ======================= Grid point 189 (61/100) ======================= 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 0.000 19.865) 19.865 1.694 ( 0.000 0.000 20.320) 20.320 1.887 ( 0.000 0.000 -10.414) 10.414 2.240 ( 0.000 0.000 -0.804) 0.804 2.285 ( 0.000 0.000 3.577) 3.577 2.309 ( 0.000 0.000 -7.741) 7.741 2.467 ( 0.000 0.000 3.760) 3.760 2.642 ( 0.000 0.000 -11.774) 11.774 2.758 ( 0.000 0.000 -3.090) 3.090 2.848 ( 0.000 0.000 -16.868) 16.868 2.900 ( 0.000 0.000 34.867) 34.867 3.240 ( 0.000 0.000 -0.868) 0.868 3.317 ( 0.000 0.000 26.322) 26.322 3.394 ( 0.000 0.000 -4.519) 4.519 3.943 ( 0.000 0.000 11.014) 11.014 4.151 ( 0.000 0.000 7.718) 7.718 4.245 ( 0.000 0.000 6.423) 6.423 4.303 ( 0.000 0.000 5.230) 5.230 4.606 ( 0.000 0.000 -14.446) 14.446 4.764 ( 0.000 0.000 -12.351) 12.351 4.766 ( 0.000 0.000 5.770) 5.770 4.804 ( 0.000 0.000 -9.915) 9.915 4.870 ( 0.000 0.000 -11.839) 11.839 5.000 ( 0.000 0.000 0.357) 0.357 5.045 ( 0.000 0.000 -10.017) 10.017 5.113 ( 0.000 0.000 -12.914) 12.914 6.580 ( 0.000 0.000 20.950) 20.950 6.653 ( 0.000 0.000 0.925) 0.925 6.797 ( 0.000 0.000 -2.185) 2.185 7.454 ( 0.000 0.000 -4.525) 4.525 7.677 ( 0.000 0.000 6.013) 6.013 8.125 ( 0.000 0.000 -9.271) 9.271 8.230 ( 0.000 0.000 -12.052) 12.052 8.235 ( 0.000 0.000 -11.970) 11.970 8.661 ( 0.000 0.000 17.601) 17.601 9.556 ( 0.000 0.000 -2.859) 2.859 9.658 ( 0.000 0.000 -5.016) 5.016 10.095 ( 0.000 0.000 -24.092) 24.092 10.555 ( 0.000 0.000 2.904) 2.904 10.634 ( 0.000 0.000 -0.339) 0.339 11.878 ( 0.000 0.000 3.813) 3.813 11.951 ( 0.000 0.000 2.259) 2.259 12.648 ( 0.000 0.000 6.296) 6.296 12.865 ( 0.000 0.000 -0.791) 0.791 13.100 ( 0.000 0.000 10.405) 10.405 13.388 ( 0.000 0.000 2.555) 2.555 13.723 ( 0.000 0.000 -6.387) 6.387 13.848 ( 0.000 0.000 -7.678) 7.678 19.006 ( 0.000 0.000 5.923) 5.923 19.448 ( 0.000 0.000 -6.546) 6.546 19.794 ( 0.000 0.000 16.412) 16.412 19.823 ( 0.000 0.000 7.018) 7.018 20.023 ( 0.000 0.000 1.731) 1.731 20.945 ( 0.000 0.000 -17.779) 17.779 21.104 ( 0.000 0.000 16.235) 16.235 21.980 ( 0.000 0.000 -9.338) 9.338 22.430 ( 0.000 0.000 2.409) 2.409 22.527 ( 0.000 0.000 -1.056) 1.056 22.651 ( 0.000 0.000 6.159) 6.159 23.028 ( 0.000 0.000 -4.805) 4.805 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.12 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 5.082 0.000 18.936) 19.606 1.667 ( -1.669 0.000 15.130) 15.222 1.951 ( 5.020 0.000 -6.727) 8.394 2.212 ( -2.759 0.000 -9.372) 9.770 2.274 ( 0.083 0.000 15.304) 15.305 2.317 ( 0.810 0.000 -7.115) 7.161 2.505 ( 2.837 0.000 2.327) 3.670 2.649 ( 0.632 0.000 -13.117) 13.132 2.766 ( 0.508 0.000 -4.867) 4.893 2.843 ( -0.491 0.000 -16.669) 16.676 2.972 ( 6.742 0.000 33.142) 33.821 3.255 ( 1.487 0.000 -0.471) 1.560 3.292 ( -2.485 0.000 24.445) 24.571 3.391 ( -0.503 0.000 -3.930) 3.962 3.822 ( -10.186 0.000 11.061) 15.036 4.095 ( -4.463 0.000 5.277) 6.911 4.292 ( 4.027 0.000 4.789) 6.257 4.327 ( 1.589 0.000 1.458) 2.157 4.506 ( -8.577 0.000 -13.918) 16.348 4.725 ( -3.909 0.000 -9.900) 10.644 4.755 ( -0.984 0.000 5.542) 5.629 4.800 ( -0.212 0.000 -10.905) 10.907 4.897 ( 2.411 0.000 -9.647) 9.944 4.964 ( -3.621 0.000 -5.918) 6.938 5.093 ( 7.470 0.000 -0.198) 7.472 5.241 ( 7.866 0.000 -7.462) 10.842 6.655 ( 0.235 0.000 1.154) 1.178 6.657 ( 7.606 0.000 19.817) 21.227 6.810 ( 1.162 0.000 -2.016) 2.327 7.495 ( 3.768 0.000 -4.122) 5.585 7.684 ( 0.684 0.000 5.677) 5.718 8.071 ( -11.064 0.000 -6.339) 12.751 8.092 ( -3.442 0.000 -7.813) 8.538 8.195 ( -4.242 0.000 -12.897) 13.577 8.861 ( 15.471 0.000 10.012) 18.428 9.546 ( -0.924 0.000 -2.604) 2.763 9.632 ( -2.376 0.000 -4.269) 4.885 10.081 ( -1.415 0.000 -22.674) 22.718 10.554 ( 0.206 0.000 3.032) 3.039 10.654 ( 1.459 0.000 -0.534) 1.554 11.885 ( 0.861 0.000 4.347) 4.432 11.978 ( 2.421 0.000 2.331) 3.361 12.629 ( -1.799 0.000 5.834) 6.105 12.843 ( -2.219 0.000 -0.925) 2.404 13.116 ( 1.589 0.000 9.302) 9.436 13.401 ( 1.264 0.000 1.408) 1.892 13.710 ( -1.359 0.000 -7.369) 7.494 13.804 ( -4.169 0.000 -7.089) 8.224 19.028 ( 2.299 0.000 6.403) 6.803 19.485 ( 3.212 0.000 -5.430) 6.309 19.785 ( -0.461 0.000 14.399) 14.407 19.836 ( 1.373 0.000 7.068) 7.200 20.030 ( 0.729 0.000 1.846) 1.985 20.890 ( -5.402 0.000 -17.281) 18.106 21.057 ( -4.629 0.000 14.689) 15.401 21.771 ( -20.107 0.000 -4.260) 20.553 22.354 ( -2.615 0.000 4.114) 4.875 22.478 ( -0.910 0.000 1.383) 1.656 22.798 ( 6.801 0.000 0.998) 6.874 23.054 ( 1.899 0.000 -4.317) 4.717 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.25 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 10.356 0.000 16.139) 19.176 1.653 ( 0.596 0.000 10.333) 10.350 2.008 ( -1.570 0.000 -7.048) 7.221 2.199 ( 3.584 0.000 -3.126) 4.756 2.299 ( 2.458 0.000 13.490) 13.712 2.338 ( 1.031 0.000 -5.218) 5.319 2.550 ( 1.316 0.000 3.248) 3.505 2.661 ( 0.246 0.000 -13.345) 13.347 2.764 ( -1.070 0.000 -7.993) 8.065 2.819 ( -2.164 0.000 -17.061) 17.197 3.133 ( 7.645 0.000 26.857) 27.924 3.223 ( -3.973 0.000 18.492) 18.914 3.294 ( 2.156 0.000 -0.522) 2.219 3.370 ( -1.511 0.000 -2.883) 3.255 3.628 ( -6.833 0.000 8.160) 10.643 4.016 ( -2.469 0.000 2.031) 3.197 4.259 ( -9.290 0.000 -9.775) 13.485 4.376 ( 2.621 0.000 -3.743) 4.570 4.422 ( 1.970 0.000 -2.830) 3.448 4.639 ( -2.871 0.000 -0.157) 2.875 4.731 ( -1.402 0.000 4.565) 4.776 4.793 ( -1.085 0.000 -10.699) 10.754 4.889 ( -3.553 0.000 -0.660) 3.614 4.940 ( 1.272 0.000 -5.917) 6.052 5.255 ( 7.859 0.000 3.419) 8.570 5.384 ( 6.258 0.000 -0.471) 6.276 6.668 ( 1.211 0.000 1.742) 2.121 6.832 ( 0.704 0.000 -0.958) 1.189 6.869 ( 13.176 0.000 16.512) 21.125 7.577 ( 3.784 0.000 -2.247) 4.401 7.702 ( 1.089 0.000 4.737) 4.860 7.875 ( -7.704 0.000 -6.875) 10.326 7.985 ( -7.356 0.000 -4.228) 8.484 8.080 ( -6.920 0.000 -13.835) 15.469 9.187 ( 16.511 0.000 3.777) 16.938 9.525 ( -1.020 0.000 -2.059) 2.297 9.577 ( -2.751 0.000 -2.974) 4.051 10.032 ( -3.707 0.000 -18.898) 19.259 10.570 ( 1.400 0.000 2.861) 3.186 10.675 ( 0.482 0.000 -0.238) 0.537 11.916 ( 2.297 0.000 5.471) 5.933 12.033 ( 2.676 0.000 3.271) 4.226 12.586 ( -2.098 0.000 4.176) 4.673 12.780 ( -3.934 0.000 -1.258) 4.130 13.164 ( 3.247 0.000 6.283) 7.072 13.434 ( 1.816 0.000 -0.599) 1.912 13.661 ( -4.155 0.000 -11.481) 12.209 13.706 ( -4.450 0.000 -4.194) 6.115 19.097 ( 4.533 0.000 7.592) 8.842 19.527 ( -0.512 0.000 2.980) 3.024 19.819 ( 5.317 0.000 3.578) 6.409 19.882 ( 3.348 0.000 7.268) 8.002 20.053 ( 1.585 0.000 2.418) 2.891 20.736 ( -9.841 0.000 -15.865) 18.669 20.930 ( -7.719 0.000 10.843) 13.310 21.306 ( -23.719 0.000 3.405) 23.962 22.361 ( 2.296 0.000 3.066) 3.830 22.474 ( 0.456 0.000 1.480) 1.549 22.886 ( 2.606 0.000 0.325) 2.627 23.071 ( -0.612 0.000 -2.906) 2.970 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.38 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 3.713 0.000 6.137) 7.173 1.838 ( 14.308 0.000 11.975) 18.658 1.917 ( -6.042 0.000 -3.588) 7.027 2.314 ( 6.058 0.000 2.862) 6.700 2.321 ( -4.555 0.000 -0.116) 4.557 2.367 ( 3.899 0.000 6.588) 7.655 2.558 ( 0.122 0.000 3.563) 3.565 2.653 ( -0.263 0.000 -11.067) 11.070 2.710 ( -4.444 0.000 -8.120) 9.257 2.761 ( -3.404 0.000 -15.093) 15.472 3.147 ( -2.075 0.000 7.420) 7.705 3.198 ( -1.893 0.000 10.692) 10.858 3.326 ( 0.806 0.000 -1.945) 2.106 3.340 ( -1.123 0.000 -2.897) 3.107 3.649 ( 8.594 0.000 9.301) 12.664 4.026 ( 3.670 0.000 -0.433) 3.696 4.068 ( -9.622 0.000 -4.604) 10.667 4.316 ( -7.509 0.000 -8.392) 11.261 4.484 ( 3.710 0.000 -1.517) 4.009 4.674 ( -4.794 0.000 -0.083) 4.795 4.690 ( 6.830 0.000 5.689) 8.889 4.771 ( 0.049 0.000 -3.825) 3.825 4.836 ( -2.150 0.000 1.105) 2.418 4.929 ( -2.674 0.000 -2.236) 3.485 5.393 ( 5.812 0.000 6.299) 8.571 5.474 ( 2.469 0.000 4.760) 5.362 6.707 ( 2.760 0.000 2.377) 3.642 6.824 ( -1.636 0.000 1.116) 1.980 7.158 ( 15.234 0.000 12.093) 19.451 7.613 ( -1.721 0.000 1.794) 2.486 7.723 ( 0.924 0.000 3.467) 3.588 7.783 ( -1.332 0.000 -10.684) 10.767 7.819 ( -7.788 0.000 -1.068) 7.861 7.936 ( -7.101 0.000 -14.418) 16.071 9.498 ( 14.352 0.000 -1.929) 14.481 9.510 ( -0.451 0.000 -1.630) 1.691 9.532 ( -1.730 0.000 -2.067) 2.695 9.927 ( -7.013 0.000 -13.698) 15.389 10.605 ( 1.970 0.000 2.322) 3.045 10.671 ( -0.888 0.000 0.664) 1.108 11.974 ( 3.309 0.000 6.616) 7.397 12.066 ( 0.181 0.000 5.509) 5.512 12.565 ( 0.389 0.000 1.206) 1.267 12.693 ( -4.643 0.000 -1.527) 4.887 13.245 ( 4.891 0.000 2.339) 5.422 13.449 ( -1.839 0.000 -0.621) 1.941 13.570 ( -2.512 0.000 -11.467) 11.739 13.640 ( -2.909 0.000 -6.279) 6.920 19.205 ( 6.185 0.000 9.002) 10.922 19.460 ( -5.434 0.000 9.594) 11.026 19.970 ( 5.238 0.000 7.572) 9.207 19.996 ( 11.503 0.000 -6.428) 13.177 20.085 ( 1.103 0.000 4.121) 4.266 20.510 ( -12.613 0.000 -13.697) 18.620 20.777 ( -6.701 0.000 6.770) 9.526 20.900 ( -15.778 0.000 5.347) 16.659 22.420 ( 3.203 0.000 2.868) 4.299 22.486 ( 0.333 0.000 2.243) 2.267 22.924 ( 1.755 0.000 -0.196) 1.766 23.032 ( -2.987 0.000 -1.619) 3.398 ======================= Grid point 193 (65/100) ======================= 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -5.867 0.000 1.377) 6.027 1.795 ( 5.867 0.000 1.377) 6.027 2.128 ( -13.636 0.000 6.951) 15.305 2.128 ( 13.636 0.000 6.951) 15.305 2.399 ( -1.851 0.000 6.078) 6.354 2.399 ( 1.851 0.000 6.078) 6.354 2.605 ( -5.049 0.000 -3.825) 6.335 2.605 ( 5.049 0.000 -3.825) 6.335 2.689 ( -3.483 0.000 -11.990) 12.486 2.689 ( 3.483 0.000 -11.990) 12.486 3.148 ( -1.922 0.000 2.275) 2.978 3.148 ( 1.922 0.000 2.275) 2.978 3.331 ( -0.086 0.000 -3.060) 3.061 3.331 ( 0.086 0.000 -3.060) 3.061 3.863 ( -11.138 0.000 4.266) 11.927 3.863 ( 11.138 0.000 4.266) 11.927 4.150 ( -8.104 0.000 -3.740) 8.926 4.150 ( 8.104 0.000 -3.740) 8.926 4.570 ( -5.015 0.000 -1.490) 5.232 4.570 ( 5.015 0.000 -1.490) 5.232 4.794 ( -1.892 0.000 0.048) 1.893 4.794 ( 1.892 0.000 0.048) 1.893 4.834 ( -6.585 0.000 1.642) 6.787 4.834 ( 6.585 0.000 1.642) 6.787 5.476 ( -2.254 0.000 7.024) 7.377 5.476 ( 2.254 0.000 7.024) 7.377 6.771 ( -3.347 0.000 2.439) 4.142 6.771 ( 3.347 0.000 2.439) 4.142 7.449 ( -13.193 0.000 7.519) 15.185 7.449 ( 13.193 0.000 7.519) 15.185 7.741 ( -1.229 0.000 0.964) 1.562 7.741 ( 1.229 0.000 0.964) 1.562 7.817 ( -4.347 0.000 -13.650) 14.326 7.817 ( 4.347 0.000 -13.650) 14.326 9.510 ( -0.492 0.000 -1.611) 1.685 9.510 ( 0.492 0.000 -1.611) 1.685 9.750 ( -10.838 0.000 -7.853) 13.384 9.750 ( 10.838 0.000 -7.853) 13.384 10.643 ( -1.765 0.000 1.586) 2.372 10.643 ( 1.765 0.000 1.586) 2.372 12.037 ( -2.737 0.000 6.997) 7.514 12.037 ( 2.737 0.000 6.997) 7.514 12.607 ( -3.598 0.000 -1.055) 3.750 12.607 ( 3.598 0.000 -1.055) 3.750 13.354 ( -5.905 0.000 -0.796) 5.958 13.354 ( 5.905 0.000 -0.796) 5.958 13.585 ( -2.460 0.000 -8.438) 8.789 13.585 ( 2.460 0.000 -8.438) 8.789 19.335 ( -6.697 0.000 10.082) 12.103 19.335 ( 6.697 0.000 10.082) 12.103 20.066 ( -3.455 0.000 6.829) 7.653 20.066 ( 3.455 0.000 6.829) 7.653 20.248 ( -13.322 0.000 -10.809) 17.155 20.248 ( 13.322 0.000 -10.809) 17.155 20.717 ( -2.286 0.000 4.708) 5.234 20.717 ( 2.286 0.000 4.708) 5.234 22.473 ( -1.792 0.000 2.824) 3.345 22.473 ( 1.792 0.000 2.824) 3.345 22.970 ( -2.887 0.000 -0.877) 3.017 22.970 ( 2.887 0.000 -0.877) 3.017 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.000 3.416 18.804) 19.112 1.584 ( 0.000 -9.491 24.634) 26.399 1.814 ( 0.000 -7.532 -7.594) 10.695 2.138 ( 0.000 -8.486 14.417) 16.729 2.305 ( 0.000 4.037 -11.730) 12.405 2.325 ( 0.000 0.521 -4.999) 5.026 2.447 ( 0.000 -1.877 3.857) 4.290 2.631 ( 0.000 -6.139 -2.263) 6.543 2.654 ( 0.000 1.655 -16.302) 16.386 2.970 ( 0.000 7.698 -14.649) 16.548 3.095 ( 0.000 15.029 29.808) 33.383 3.314 ( 0.000 6.032 1.041) 6.121 3.370 ( 0.000 3.032 15.928) 16.214 3.471 ( 0.000 6.244 -3.294) 7.059 3.946 ( 0.000 -1.291 9.578) 9.664 4.120 ( 0.000 -7.068 7.155) 10.058 4.218 ( 0.000 7.026 5.911) 9.182 4.403 ( 0.000 2.750 2.575) 3.767 4.491 ( 0.000 -4.514 -9.409) 10.436 4.708 ( 0.000 -7.595 -9.690) 12.311 4.737 ( 0.000 -2.067 6.042) 6.385 4.854 ( 0.000 6.183 -11.280) 12.863 4.874 ( 0.000 -2.861 -4.898) 5.672 5.097 ( 0.000 3.157 -7.482) 8.120 5.124 ( 0.000 9.533 -8.688) 12.897 5.161 ( 0.000 9.152 -8.730) 12.648 6.496 ( 0.000 -12.211 3.779) 12.782 6.650 ( 0.000 4.275 17.504) 18.018 6.678 ( 0.000 -10.990 -2.671) 11.310 7.471 ( 0.000 0.044 -1.544) 1.545 7.611 ( 0.000 -4.841 5.453) 7.292 8.056 ( 0.000 -5.888 -8.476) 10.320 8.266 ( 0.000 2.950 -10.187) 10.606 8.356 ( 0.000 11.314 -13.645) 17.726 8.607 ( 0.000 -4.141 12.872) 13.522 9.670 ( 0.000 9.692 -1.569) 9.818 9.673 ( 0.000 -0.430 -9.393) 9.403 10.026 ( 0.000 -4.694 -18.914) 19.488 10.491 ( 0.000 -5.468 3.214) 6.343 10.589 ( 0.000 -4.264 -0.418) 4.284 11.871 ( 0.000 -0.557 3.528) 3.572 11.957 ( 0.000 -0.079 1.875) 1.876 12.666 ( 0.000 1.782 6.433) 6.676 12.839 ( 0.000 -1.570 1.490) 2.165 13.157 ( 0.000 4.458 7.097) 8.381 13.386 ( 0.000 -0.343 2.423) 2.447 13.721 ( 0.000 -0.180 -5.966) 5.969 13.821 ( 0.000 -2.321 -6.294) 6.708 19.074 ( 0.000 5.776 4.834) 7.532 19.431 ( 0.000 -1.640 -4.922) 5.188 19.760 ( 0.000 0.613 7.909) 7.933 19.977 ( 0.000 10.760 13.122) 16.969 20.024 ( 0.000 -0.233 0.576) 0.622 20.928 ( 0.000 -3.024 -2.022) 3.638 21.101 ( 0.000 1.363 1.439) 1.982 21.910 ( 0.000 -6.876 -9.815) 11.984 22.434 ( 0.000 0.307 2.198) 2.220 22.498 ( 0.000 -2.321 0.121) 2.324 22.668 ( 0.000 1.658 5.554) 5.796 22.994 ( 0.000 -3.100 -3.651) 4.789 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.12 0.17 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 1.162 -1.941 20.489) 20.614 1.644 ( 4.722 -1.279 17.070) 17.757 1.872 ( 5.602 -8.397 -4.059) 10.879 2.160 ( 2.189 -7.472 12.488) 14.716 2.252 ( -4.550 3.816 -7.127) 9.276 2.334 ( 1.060 0.610 -5.908) 6.034 2.465 ( 0.833 -3.350 2.425) 4.219 2.646 ( 1.257 -5.882 -3.606) 7.013 2.675 ( 2.090 2.445 -16.211) 16.527 2.945 ( -2.128 7.039 -13.299) 15.196 3.148 ( 4.718 13.564 26.241) 29.913 3.312 ( -0.958 5.695 10.728) 12.184 3.364 ( 0.261 3.638 5.060) 6.237 3.477 ( 0.423 6.685 -1.679) 6.906 3.870 ( -7.522 2.611 8.630) 11.742 4.092 ( -6.020 0.590 5.557) 8.214 4.167 ( 0.162 -5.754 3.447) 6.709 4.367 ( -3.425 -1.545 -0.651) 3.814 4.483 ( -0.296 -1.197 -8.221) 8.313 4.683 ( -3.522 -1.405 -5.489) 6.671 4.726 ( -0.960 -2.773 1.260) 3.193 4.838 ( -0.698 -2.666 -7.454) 7.947 4.870 ( -0.198 2.739 -4.995) 5.700 5.038 ( -3.204 5.375 -7.698) 9.921 5.163 ( 5.894 5.658 -1.846) 8.376 5.322 ( 9.324 9.369 -6.866) 14.894 6.510 ( 1.257 -12.448 2.523) 12.763 6.696 ( 1.647 -10.377 -2.383) 10.774 6.718 ( 6.845 4.610 17.556) 19.399 7.488 ( 1.379 -2.373 -0.168) 2.750 7.617 ( 0.576 -4.027 3.864) 5.610 8.023 ( -3.327 -5.516 -7.520) 9.902 8.146 ( -7.929 5.825 -5.349) 11.199 8.323 ( -3.383 11.873 -14.198) 18.814 8.783 ( 13.636 -6.344 6.727) 16.475 9.644 ( -2.082 2.401 -6.244) 7.006 9.672 ( -0.456 7.456 -3.515) 8.255 10.013 ( -1.404 -4.692 -17.901) 18.559 10.494 ( 0.446 -5.312 3.071) 6.152 10.599 ( 0.754 -4.996 -0.554) 5.083 11.883 ( 1.324 -0.097 4.172) 4.378 11.992 ( 3.171 0.675 1.778) 3.697 12.642 ( -2.193 1.341 6.242) 6.751 12.821 ( -1.861 -1.401 1.173) 2.608 13.167 ( 1.031 4.133 6.448) 7.728 13.399 ( 1.249 -0.349 1.230) 1.788 13.707 ( -1.357 -0.211 -6.795) 6.932 13.781 ( -3.841 -1.980 -5.988) 7.384 19.096 ( 2.186 5.732 5.317) 8.118 19.476 ( 4.135 -1.090 -4.936) 6.531 19.757 ( -0.213 0.198 8.079) 8.084 19.972 ( -0.283 10.088 11.977) 15.662 20.028 ( 0.488 -0.386 0.740) 0.967 20.880 ( -4.720 -2.320 -3.748) 6.458 21.048 ( -5.146 0.727 2.340) 5.699 21.713 ( -18.437 -5.485 -5.043) 19.885 22.368 ( -2.028 1.261 3.797) 4.486 22.492 ( -0.263 1.161 0.698) 1.380 22.771 ( 5.763 -2.188 1.961) 6.469 23.011 ( 1.165 -3.886 -3.190) 5.161 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.25 0.17 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 6.254 -4.820 18.275) 19.908 1.752 ( 6.332 5.196 9.529) 12.566 2.006 ( 6.010 -5.282 -1.372) 8.118 2.155 ( -3.872 0.634 -1.380) 4.159 2.223 ( 3.990 -5.124 7.038) 9.576 2.363 ( 1.474 0.948 -4.070) 4.431 2.461 ( -1.156 -6.072 2.276) 6.587 2.663 ( 0.036 -4.447 -5.550) 7.112 2.730 ( 2.915 3.113 -15.563) 16.136 2.891 ( -3.288 6.077 -13.954) 15.571 3.236 ( 1.187 6.949 15.753) 17.259 3.270 ( -1.441 7.384 17.200) 18.773 3.394 ( 1.980 4.351 -2.464) 5.378 3.496 ( 2.557 9.796 3.677) 10.771 3.677 ( -9.893 5.288 4.871) 12.230 3.981 ( -3.210 -2.797 1.935) 4.676 4.182 ( -1.878 -8.358 -2.719) 8.988 4.270 ( -4.375 -2.589 -5.745) 7.671 4.500 ( 2.147 2.013 -3.789) 4.797 4.610 ( -3.149 -2.142 3.926) 5.470 4.723 ( 0.623 -2.710 -4.814) 5.559 4.786 ( -3.146 1.290 -2.074) 3.982 4.870 ( -1.131 -0.884 -0.328) 1.472 4.985 ( -2.611 2.072 -5.052) 6.053 5.307 ( 7.849 5.473 2.483) 9.886 5.483 ( 6.358 9.548 -1.708) 11.598 6.545 ( 2.350 -11.265 2.036) 11.687 6.727 ( 1.151 -9.688 -1.654) 9.895 6.914 ( 12.304 4.058 15.369) 20.101 7.510 ( 0.786 -6.378 1.611) 6.625 7.631 ( 0.519 -2.925 1.148) 3.185 7.925 ( -6.484 -5.005 -4.322) 9.262 8.022 ( -4.022 10.552 -5.279) 12.466 8.228 ( -5.892 13.252 -13.965) 20.133 9.069 ( 14.234 -9.432 1.244) 17.121 9.595 ( -2.654 0.913 -5.892) 6.527 9.663 ( -0.118 9.610 -1.670) 9.754 9.967 ( -3.299 -4.210 -14.763) 15.702 10.512 ( 1.301 -5.420 2.542) 6.127 10.609 ( 0.134 -5.976 -0.425) 5.993 11.928 ( 3.165 1.244 5.409) 6.389 12.065 ( 3.637 2.449 2.511) 5.053 12.589 ( -2.762 0.166 5.169) 5.863 12.765 ( -3.663 -1.173 0.572) 3.888 13.202 ( 2.613 3.372 4.328) 6.077 13.432 ( 1.911 -0.300 -1.006) 2.180 13.659 ( -4.306 -0.246 -10.172) 11.049 13.690 ( -4.000 -1.326 -4.032) 5.832 19.162 ( 4.401 5.675 6.430) 9.639 19.553 ( 1.625 2.091 -0.456) 2.688 19.779 ( 4.021 -2.573 3.890) 6.158 19.981 ( 1.613 8.528 9.780) 13.076 20.044 ( 1.174 -1.208 0.682) 1.817 20.746 ( -8.641 0.044 -7.973) 11.757 20.908 ( -8.358 -1.074 4.848) 9.722 21.283 ( -22.293 -2.287 2.054) 22.504 22.378 ( 2.310 1.643 2.975) 4.109 22.494 ( 0.503 1.823 1.017) 2.147 22.848 ( 2.312 -3.412 0.771) 4.193 23.017 ( -0.863 -4.877 -2.069) 5.368 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.38 0.17 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 8.606 -2.916 12.612) 15.545 1.896 ( 6.028 3.805 6.878) 9.906 1.992 ( -2.808 5.379 -0.259) 6.073 2.205 ( 5.470 -8.211 1.800) 10.029 2.285 ( 0.161 -2.696 2.990) 4.029 2.378 ( 0.318 -0.029 0.917) 0.970 2.443 ( 0.768 -6.963 1.180) 7.104 2.631 ( -3.576 -3.875 -5.351) 7.512 2.769 ( 0.788 5.422 -13.641) 14.701 2.824 ( -2.943 5.720 -14.331) 15.709 3.193 ( -1.993 5.340 8.271) 10.044 3.247 ( -2.844 6.292 9.760) 11.956 3.410 ( 0.159 3.690 -5.581) 6.692 3.485 ( -4.616 9.729 -2.200) 10.991 3.676 ( 10.066 4.088 9.549) 14.464 3.975 ( 2.380 -4.812 0.436) 5.386 4.071 ( -7.381 0.497 -4.820) 8.830 4.189 ( -5.691 -7.848 -3.529) 10.316 4.542 ( 1.954 2.537 -3.827) 4.991 4.624 ( 4.235 -4.490 7.075) 9.389 4.695 ( -3.661 -1.324 -4.437) 5.903 4.754 ( 0.390 0.683 1.599) 1.782 4.840 ( -1.393 -0.124 1.817) 2.293 4.920 ( -4.088 -1.595 -1.220) 4.555 5.454 ( 6.476 6.235 4.960) 10.267 5.564 ( 1.736 8.576 2.961) 9.237 6.605 ( 3.556 -9.599 2.258) 10.483 6.728 ( -1.311 -9.015 0.452) 9.121 7.181 ( 13.808 2.071 10.908) 17.718 7.524 ( 0.208 -6.047 0.291) 6.058 7.622 ( -1.357 -4.350 1.180) 4.707 7.775 ( -7.989 -3.850 -0.045) 8.869 7.985 ( 0.062 13.178 -7.224) 15.028 8.107 ( -5.754 14.650 -13.144) 20.506 9.322 ( 10.593 -10.836 -3.868) 15.639 9.542 ( -2.744 -1.133 -5.627) 6.362 9.680 ( 2.202 9.480 -0.920) 9.776 9.880 ( -5.443 -2.021 -9.753) 11.350 10.543 ( 1.738 -5.823 1.796) 6.337 10.602 ( -0.872 -6.344 0.204) 6.407 12.004 ( 4.232 2.970 6.570) 8.360 12.113 ( 0.620 4.291 4.927) 6.563 12.555 ( -0.076 -1.294 2.537) 2.849 12.681 ( -4.634 -1.258 0.094) 4.802 13.272 ( 4.399 2.537 1.253) 5.231 13.456 ( -0.922 0.578 -1.064) 1.522 13.561 ( -3.076 -0.742 -10.135) 10.618 13.629 ( -2.892 -0.992 -6.704) 7.368 19.267 ( 6.034 5.611 7.571) 11.190 19.511 ( -4.828 4.777 6.857) 9.651 19.927 ( 8.793 -5.462 -2.713) 10.701 20.039 ( 3.289 4.071 7.113) 8.831 20.082 ( 3.912 0.725 0.337) 3.992 20.536 ( -12.501 2.690 -9.494) 15.927 20.752 ( -6.116 -2.331 6.153) 8.983 20.898 ( -15.089 -0.407 4.097) 15.641 22.437 ( 3.224 1.683 2.694) 4.526 22.505 ( 0.258 1.866 1.893) 2.670 22.881 ( 1.441 -4.027 0.032) 4.278 22.978 ( -2.819 -4.970 -1.133) 5.825 ======================= Grid point 202 (70/100) ======================= q-point: (-0.50 0.17 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -7.865 1.105 6.453) 10.233 1.814 ( 7.865 1.105 6.453) 10.233 2.134 ( -9.815 0.553 3.565) 10.457 2.134 ( 9.815 0.553 3.565) 10.457 2.342 ( -4.241 -4.574 2.851) 6.858 2.342 ( 4.241 -4.574 2.851) 6.858 2.528 ( -6.087 -4.185 -2.557) 7.817 2.528 ( 6.087 -4.185 -2.557) 7.817 2.783 ( -1.292 6.230 -13.305) 14.748 2.783 ( 1.292 6.230 -13.305) 14.748 3.191 ( -1.823 5.647 5.448) 8.056 3.192 ( 1.823 5.647 5.448) 8.056 3.425 ( -1.657 5.305 -5.389) 7.741 3.425 ( 1.657 5.305 -5.389) 7.741 3.892 ( -10.349 3.833 3.299) 11.518 3.892 ( 10.349 3.833 3.299) 11.518 4.065 ( -5.830 -7.175 -1.339) 9.341 4.065 ( 5.830 -7.175 -1.339) 9.341 4.599 ( -3.759 1.574 -2.391) 4.724 4.599 ( 3.759 1.574 -2.391) 4.724 4.736 ( -3.464 -3.901 2.167) 5.649 4.736 ( 3.464 -3.901 2.167) 5.649 4.841 ( -2.490 -0.625 2.033) 3.274 4.841 ( 2.490 -0.625 2.033) 3.274 5.551 ( -2.982 7.319 5.302) 9.517 5.551 ( 2.982 7.319 5.302) 9.517 6.677 ( -3.445 -8.794 1.997) 9.654 6.677 ( 3.445 -8.794 1.997) 9.654 7.431 ( -10.157 -1.347 4.949) 11.379 7.431 ( 10.157 -1.347 4.949) 11.379 7.644 ( -4.380 -4.982 0.775) 6.679 7.644 ( 4.380 -4.982 0.775) 6.679 8.017 ( -3.093 14.537 -10.418) 18.150 8.017 ( 3.093 14.537 -10.418) 18.150 9.474 ( -4.811 -6.304 -6.065) 9.983 9.474 ( 4.811 -6.304 -6.065) 9.983 9.762 ( -5.742 3.780 -3.818) 7.863 9.762 ( 5.742 3.780 -3.818) 7.863 10.577 ( -1.570 -6.208 1.005) 6.482 10.577 ( 1.570 -6.208 1.005) 6.482 12.083 ( -3.284 4.375 6.828) 8.749 12.083 ( 3.284 4.375 6.828) 8.749 12.594 ( -3.661 -1.620 0.349) 4.018 12.594 ( 3.661 -1.620 0.349) 4.018 13.373 ( -5.514 1.778 -1.180) 5.912 13.373 ( 5.514 1.778 -1.180) 5.912 13.573 ( -2.502 -1.113 -8.328) 8.767 13.573 ( 2.502 -1.113 -8.328) 8.767 19.394 ( -6.454 5.405 8.137) 11.708 19.394 ( 6.454 5.405 8.137) 11.708 20.044 ( -2.629 -3.389 2.099) 4.775 20.044 ( 2.629 -3.389 2.099) 4.775 20.270 ( -13.112 3.458 -4.583) 14.314 20.270 ( 13.112 3.458 -4.583) 14.314 20.714 ( -3.236 -0.649 4.143) 5.297 20.714 ( 3.236 -0.649 4.143) 5.297 22.491 ( -1.856 1.768 2.564) 3.625 22.491 ( 1.856 1.768 2.564) 3.625 22.920 ( -2.592 -4.583 -0.622) 5.301 22.920 ( 2.592 -4.583 -0.622) 5.301 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 -6.542 24.318) 25.183 1.502 ( 0.000 0.773 11.267) 11.293 1.625 ( 0.000 -5.401 7.426) 9.182 1.946 ( 0.000 -10.016 14.648) 17.745 2.333 ( 0.000 0.359 -4.020) 4.036 2.391 ( 0.000 3.280 -5.635) 6.520 2.396 ( 0.000 -2.741 2.556) 3.748 2.532 ( 0.000 -4.089 -2.896) 5.011 2.768 ( 0.000 10.148 -20.037) 22.460 3.161 ( 0.000 7.617 -10.521) 12.988 3.334 ( 0.000 -3.104 -13.774) 14.119 3.387 ( 0.000 10.813 14.542) 18.121 3.484 ( 0.000 8.735 13.920) 16.434 3.607 ( 0.000 6.217 0.282) 6.223 3.877 ( 0.000 -4.525 12.095) 12.913 3.973 ( 0.000 -7.231 8.708) 11.319 4.346 ( 0.000 -4.113 0.812) 4.192 4.361 ( 0.000 1.905 0.969) 2.137 4.511 ( 0.000 -6.828 -1.521) 6.995 4.520 ( 0.000 2.190 2.563) 3.371 4.710 ( 0.000 0.249 0.397) 0.469 4.803 ( 0.000 -3.170 -6.553) 7.280 5.022 ( 0.000 9.443 -8.624) 12.788 5.147 ( 0.000 2.523 -7.179) 7.610 5.371 ( 0.000 11.659 -4.346) 12.443 5.467 ( 0.000 20.778 -6.670) 21.822 6.144 ( 0.000 -20.388 1.324) 20.431 6.369 ( 0.000 -18.368 -4.083) 18.816 6.799 ( 0.000 9.857 17.941) 20.471 7.324 ( 0.000 -12.599 11.135) 16.814 7.620 ( 0.000 4.747 -2.547) 5.387 7.908 ( 0.000 -7.907 -5.664) 9.726 8.342 ( 0.000 4.278 -6.954) 8.165 8.512 ( 0.000 -3.553 5.385) 6.451 8.687 ( 0.000 18.720 -18.198) 26.108 9.510 ( 0.000 -15.671 -21.379) 26.507 9.894 ( 0.000 10.778 -0.789) 10.807 10.027 ( 0.000 4.653 -5.304) 7.056 10.366 ( 0.000 -5.797 2.775) 6.427 10.467 ( 0.000 -7.196 -0.345) 7.204 11.863 ( 0.000 -0.005 3.247) 3.247 11.931 ( 0.000 -2.320 2.382) 3.326 12.720 ( 0.000 3.261 6.031) 6.856 12.816 ( 0.000 -0.942 2.985) 3.130 13.249 ( 0.000 4.060 3.987) 5.691 13.366 ( 0.000 -1.631 2.222) 2.756 13.720 ( 0.000 0.183 -4.899) 4.903 13.768 ( 0.000 -2.416 -4.302) 4.934 19.202 ( 0.000 5.886 3.672) 6.937 19.383 ( 0.000 -3.021 -1.394) 3.327 19.819 ( 0.000 4.522 2.177) 5.019 19.999 ( 0.000 -2.465 -1.314) 2.793 20.239 ( 0.000 14.094 14.008) 19.871 20.786 ( 0.000 -10.241 13.892) 17.259 21.207 ( 0.000 8.680 -12.378) 15.118 21.705 ( 0.000 -12.376 -10.472) 16.212 22.439 ( 0.000 0.108 1.968) 1.971 22.456 ( 0.000 -1.368 1.482) 2.017 22.722 ( 0.000 3.636 3.707) 5.193 22.912 ( 0.000 -4.652 -1.352) 4.844 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.12 0.33 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.428 -1.631 21.516) 21.582 1.629 ( 7.959 -10.297 6.116) 14.379 1.679 ( 6.449 1.907 11.874) 13.646 1.986 ( 3.946 -9.035 12.881) 16.221 2.315 ( -3.002 1.115 1.925) 3.736 2.367 ( -0.350 0.833 -5.258) 5.335 2.401 ( -0.453 -0.611 -1.623) 1.793 2.542 ( 1.236 -4.446 -5.079) 6.862 2.793 ( 2.199 9.619 -18.769) 21.204 3.141 ( -1.834 9.597 -10.635) 14.442 3.334 ( 0.069 -4.863 -12.288) 13.215 3.402 ( 0.991 8.687 10.400) 13.586 3.474 ( -0.894 8.856 13.301) 16.004 3.620 ( 1.312 6.689 2.288) 7.190 3.849 ( -2.352 -3.705 11.509) 12.317 3.986 ( 0.882 -7.841 6.546) 10.252 4.233 ( -12.703 4.830 -1.736) 13.701 4.296 ( -5.839 -5.267 4.412) 9.017 4.438 ( 4.084 -0.122 0.834) 4.171 4.644 ( 2.628 -3.347 0.629) 4.302 4.695 ( -1.626 0.486 0.035) 1.698 4.786 ( -1.447 -2.361 -6.181) 6.773 4.952 ( -5.014 6.180 -6.757) 10.439 5.111 ( -4.485 1.257 -6.791) 8.235 5.375 ( 4.067 14.323 -1.573) 14.972 5.606 ( 8.880 17.279 -5.986) 20.328 6.166 ( 2.281 -19.781 1.496) 19.969 6.403 ( 2.860 -17.280 -4.084) 17.985 6.862 ( 6.089 9.075 16.731) 19.984 7.329 ( 0.605 -11.299 9.937) 15.059 7.622 ( 0.037 3.553 -1.968) 4.062 7.880 ( -2.823 -7.644 -4.804) 9.459 8.294 ( -2.629 8.085 -4.690) 9.710 8.617 ( 5.984 -0.309 -2.711) 6.577 8.675 ( 0.793 12.193 -13.137) 17.941 9.492 ( -1.739 -15.613 -20.014) 25.443 9.892 ( -0.088 11.061 -0.778) 11.089 10.021 ( -0.710 5.443 -5.007) 7.430 10.363 ( -0.192 -6.635 2.441) 7.072 10.462 ( -0.497 -7.910 -0.543) 7.944 11.889 ( 2.805 0.976 3.912) 4.912 11.981 ( 4.612 -1.923 2.115) 5.426 12.687 ( -3.179 2.954 6.366) 7.704 12.796 ( -2.090 -1.327 2.989) 3.881 13.256 ( 0.785 4.146 3.295) 5.354 13.379 ( 1.254 -1.648 0.984) 2.293 13.704 ( -1.538 -0.010 -5.455) 5.668 13.737 ( -3.029 -1.924 -4.411) 5.686 19.226 ( 2.500 6.285 3.907) 7.812 19.431 ( 4.744 -3.299 -1.867) 6.072 19.808 ( -1.105 4.393 2.494) 5.172 19.996 ( -0.247 -2.826 -1.407) 3.166 20.225 ( -1.227 13.684 13.311) 19.129 20.752 ( -3.228 -9.656 12.512) 16.131 21.138 ( -6.772 7.627 -11.217) 15.161 21.553 ( -14.171 -9.740 -7.116) 18.610 22.405 ( -0.362 2.343 2.913) 3.755 22.503 ( 1.992 -0.787 -0.061) 2.143 22.745 ( 1.683 0.639 3.104) 3.588 22.911 ( -0.226 -5.353 -1.039) 5.457 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.25 0.33 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 7.097 0.723 18.240) 19.585 1.766 ( 7.115 -10.565 2.646) 13.010 1.868 ( 9.997 2.178 10.430) 14.610 2.092 ( 6.309 -6.962 8.274) 12.519 2.222 ( -5.613 2.815 3.825) 7.352 2.341 ( -2.571 -4.631 2.679) 5.936 2.410 ( 1.234 3.249 -7.478) 8.246 2.571 ( 0.973 -4.267 -5.898) 7.344 2.846 ( 2.913 8.754 -17.426) 19.718 3.091 ( -3.215 12.048 -12.429) 17.607 3.338 ( 0.434 -6.609 -9.731) 11.771 3.396 ( -1.751 7.850 7.724) 11.151 3.452 ( -1.544 5.168 6.630) 8.547 3.655 ( 0.953 5.210 4.666) 7.058 3.805 ( -1.383 -0.399 11.019) 11.113 3.956 ( -11.089 5.448 -0.857) 12.385 3.987 ( -1.238 -9.384 1.561) 9.593 4.256 ( 0.574 -0.643 3.808) 3.904 4.513 ( 3.380 0.482 0.102) 3.415 4.577 ( -6.750 0.358 3.432) 7.581 4.697 ( 0.222 -0.171 -3.802) 3.812 4.759 ( -0.853 -3.432 -0.795) 3.624 4.871 ( -3.114 1.074 -1.753) 3.732 4.993 ( -6.870 -1.636 -4.631) 8.445 5.505 ( 7.869 13.635 1.439) 15.808 5.753 ( 5.385 15.849 -3.149) 17.033 6.235 ( 4.497 -17.904 1.769) 18.545 6.459 ( 2.211 -15.691 -3.044) 16.136 7.027 ( 10.025 6.703 13.400) 18.028 7.353 ( 1.979 -8.240 6.986) 10.983 7.612 ( -1.301 1.102 -0.627) 1.816 7.798 ( -5.277 -6.619 -2.511) 8.830 8.270 ( 0.272 13.252 -5.206) 14.240 8.585 ( -4.362 20.219 -15.748) 25.997 8.839 ( 10.554 -12.363 -1.768) 16.352 9.440 ( -3.553 -15.809 -16.883) 23.401 9.892 ( 0.165 11.585 -0.695) 11.607 9.998 ( -1.499 7.255 -3.976) 8.407 10.364 ( 0.380 -8.375 1.575) 8.531 10.448 ( -0.883 -9.249 -0.774) 9.323 11.973 ( 5.418 3.165 5.108) 8.091 12.096 ( 6.506 -0.265 2.184) 6.868 12.603 ( -4.932 1.763 6.719) 8.519 12.732 ( -4.268 -2.333 3.036) 5.733 13.284 ( 2.074 4.168 1.311) 4.837 13.414 ( 2.141 -1.613 -1.639) 3.142 13.652 ( -4.626 -0.350 -6.572) 8.044 13.665 ( -3.025 -0.933 -4.833) 5.777 19.301 ( 4.890 7.255 4.348) 9.770 19.558 ( 7.397 -3.065 -2.988) 8.547 19.774 ( -2.085 3.370 3.587) 5.346 19.991 ( -0.267 -4.068 -1.591) 4.376 20.205 ( -0.161 12.467 11.132) 16.715 20.671 ( -4.483 -7.611 8.910) 12.546 20.951 ( -11.562 5.275 -7.868) 14.947 21.208 ( -18.652 -4.948 -1.439) 19.351 22.430 ( 2.548 3.428 2.450) 4.924 22.536 ( 1.508 1.383 -0.085) 2.047 22.769 ( 0.592 -3.097 2.079) 3.777 22.894 ( -1.615 -6.415 -0.427) 6.630 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.38 0.33 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 10.573 1.468 14.202) 17.766 1.914 ( 6.851 -6.922 3.110) 10.224 1.990 ( -1.044 -0.978 6.705) 6.856 2.145 ( -0.465 0.752 3.362) 3.477 2.197 ( 3.370 -3.439 4.008) 6.264 2.326 ( 3.720 -4.418 3.381) 6.693 2.411 ( -1.942 3.532 -3.816) 5.550 2.556 ( -2.920 -3.302 -4.071) 6.000 2.901 ( 2.530 8.673 -16.611) 18.909 3.016 ( -3.945 12.228 -14.354) 19.264 3.352 ( 0.697 -3.730 -4.020) 5.528 3.360 ( -0.850 7.526 3.673) 8.417 3.412 ( -1.862 2.852 1.000) 3.550 3.561 ( -8.176 0.910 -3.098) 8.790 3.813 ( 1.149 -8.344 6.464) 10.617 3.903 ( 1.931 5.282 1.755) 5.891 3.953 ( 1.059 -1.608 3.803) 4.263 4.246 ( -4.470 9.549 -1.556) 10.658 4.498 ( 1.605 -6.524 7.549) 10.106 4.574 ( 2.653 0.714 0.819) 2.867 4.670 ( -2.351 -0.539 -2.467) 3.450 4.759 ( -0.207 -1.779 1.642) 2.430 4.812 ( -3.428 -2.304 1.037) 4.258 4.857 ( -5.449 -3.932 -0.601) 6.746 5.659 ( 7.172 13.501 2.925) 15.565 5.811 ( 0.451 14.747 0.362) 14.759 6.335 ( 5.226 -15.844 1.798) 16.780 6.475 ( -0.759 -14.840 -0.824) 14.882 7.237 ( 10.493 3.326 8.923) 14.170 7.412 ( 3.837 -4.856 3.735) 7.229 7.562 ( -3.779 -1.121 1.116) 4.096 7.676 ( -6.799 -5.183 0.755) 8.583 8.302 ( 2.919 17.370 -7.314) 19.072 8.485 ( -5.415 21.069 -13.354) 25.525 9.045 ( 9.758 -15.957 -5.437) 19.478 9.350 ( -5.493 -16.566 -13.309) 21.948 9.902 ( 0.845 11.683 -0.681) 11.733 9.963 ( -1.927 9.225 -2.433) 9.733 10.379 ( 1.053 -9.708 0.633) 9.786 10.428 ( -1.165 -10.132 -0.616) 10.217 12.095 ( 6.482 5.628 6.212) 10.596 12.213 ( 4.173 4.062 3.631) 6.862 12.512 ( -3.239 -1.968 5.766) 6.900 12.631 ( -5.663 -3.759 2.953) 7.411 13.340 ( 3.615 3.801 -1.166) 5.374 13.459 ( 2.004 -0.754 -3.297) 3.931 13.550 ( -4.725 0.131 -6.547) 8.075 13.604 ( -3.244 -1.401 -6.710) 7.584 19.414 ( 6.340 8.245 4.536) 11.347 19.640 ( -2.210 6.673 0.787) 7.074 19.790 ( 6.034 -6.894 0.394) 9.171 19.978 ( -1.391 -6.141 -1.400) 6.451 20.243 ( 4.571 10.495 7.240) 13.544 20.586 ( -4.820 -1.025 2.350) 5.459 20.708 ( -10.719 0.684 0.098) 10.742 20.871 ( -14.101 -2.494 1.536) 14.402 22.493 ( 3.367 3.727 2.105) 5.446 22.561 ( 0.720 3.261 0.912) 3.462 22.774 ( 0.286 -5.660 0.907) 5.740 22.849 ( -2.754 -6.856 -0.098) 7.389 ======================= Grid point 211 (75/100) ======================= q-point: (-0.50 0.33 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -9.792 1.648 10.525) 14.470 1.834 ( 9.792 1.648 10.525) 14.470 2.069 ( -6.340 -7.470 1.757) 9.955 2.069 ( 6.340 -7.470 1.757) 9.955 2.319 ( -6.847 3.018 1.297) 7.594 2.319 ( 6.847 3.018 1.297) 7.594 2.454 ( -6.847 -3.099 -0.650) 7.544 2.454 ( 6.847 -3.099 -0.650) 7.544 2.949 ( -2.654 10.375 -15.659) 18.971 2.949 ( 2.654 10.375 -15.659) 18.971 3.357 ( -0.836 6.228 3.588) 7.236 3.357 ( 0.836 6.228 3.588) 7.236 3.430 ( -4.333 -2.020 -6.976) 8.457 3.430 ( 4.333 -2.020 -6.976) 8.457 3.856 ( -3.101 -10.522 2.051) 11.159 3.856 ( 3.101 -10.522 2.051) 11.159 4.097 ( -8.901 13.127 2.879) 16.120 4.097 ( 8.901 13.127 2.879) 16.120 4.583 ( -3.703 -5.237 2.836) 7.013 4.583 ( 3.703 -5.237 2.836) 7.013 4.672 ( -5.008 -0.270 0.322) 5.026 4.672 ( 5.008 -0.270 0.322) 5.026 4.800 ( -1.489 -3.235 2.314) 4.248 4.800 ( 1.489 -3.235 2.314) 4.248 5.774 ( -4.052 13.916 2.604) 14.726 5.774 ( 4.052 13.916 2.604) 14.726 6.428 ( -3.802 -14.787 1.055) 15.304 6.428 ( 3.802 -14.787 1.055) 15.304 7.418 ( -6.635 0.548 3.460) 7.503 7.418 ( 6.635 0.548 3.460) 7.503 7.545 ( -5.322 -4.674 3.273) 7.803 7.545 ( 5.322 -4.674 3.273) 7.803 8.381 ( -4.812 20.141 -10.289) 23.123 8.381 ( 4.812 20.141 -10.289) 23.123 9.219 ( -7.691 -17.082 -9.503) 21.006 9.219 ( 7.691 -17.082 -9.503) 21.006 9.927 ( -1.625 10.869 -1.176) 11.052 9.927 ( 1.625 10.869 -1.176) 11.052 10.403 ( -1.292 -10.272 -0.105) 10.354 10.403 ( 1.292 -10.272 -0.105) 10.354 12.211 ( -4.270 7.676 6.356) 10.842 12.211 ( 4.270 7.676 6.356) 10.842 12.524 ( -4.271 -5.359 3.220) 7.571 12.524 ( 4.271 -5.359 3.220) 7.571 13.424 ( -4.532 3.015 -2.771) 6.108 13.424 ( 4.532 3.015 -2.771) 6.108 13.540 ( -2.828 -2.046 -7.309) 8.099 13.540 ( 2.828 -2.046 -7.309) 8.099 19.542 ( -6.184 8.575 3.982) 11.297 19.542 ( 6.184 8.575 3.982) 11.297 19.918 ( -5.014 -8.177 -1.425) 9.697 19.918 ( 5.014 -8.177 -1.425) 9.697 20.398 ( -10.655 8.000 1.806) 13.446 20.398 ( 10.655 8.000 1.806) 13.446 20.673 ( -5.366 -3.576 3.522) 7.348 20.673 ( 5.366 -3.576 3.522) 7.348 22.550 ( -1.974 4.013 1.861) 4.844 22.550 ( 1.974 4.013 1.861) 4.844 22.797 ( -2.118 -6.889 0.044) 7.207 22.797 ( 2.118 -6.889 0.044) 7.207 ======================= Grid point 216 (76/100) ======================= 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 -4.912 14.075) 14.908 1.376 ( 0.000 4.912 14.075) 14.908 1.738 ( 0.000 -9.620 15.816) 18.512 1.738 ( 0.000 9.620 15.816) 18.512 2.349 ( 0.000 -1.530 -0.478) 1.603 2.349 ( 0.000 1.530 -0.478) 1.603 2.454 ( 0.000 -3.334 -4.445) 5.556 2.454 ( 0.000 3.334 -4.445) 5.556 3.029 ( 0.000 -13.319 -15.579) 20.497 3.029 ( 0.000 13.319 -15.579) 20.497 3.447 ( 0.000 -5.560 -8.858) 10.458 3.447 ( 0.000 5.560 -8.858) 10.458 3.651 ( 0.000 -5.123 7.698) 9.247 3.651 ( 0.000 5.123 7.698) 9.247 3.841 ( 0.000 -3.944 12.872) 13.462 3.841 ( 0.000 3.944 12.872) 13.462 4.287 ( 0.000 -0.605 6.911) 6.937 4.287 ( 0.000 0.605 6.911) 6.937 4.526 ( 0.000 -1.721 1.369) 2.199 4.526 ( 0.000 1.721 1.369) 2.199 4.744 ( 0.000 -2.544 -5.802) 6.335 4.744 ( 0.000 2.544 -5.802) 6.335 5.158 ( 0.000 -2.497 -7.088) 7.515 5.158 ( 0.000 2.497 -7.088) 7.515 5.689 ( 0.000 -17.974 -0.954) 18.000 5.689 ( 0.000 17.974 -0.954) 18.000 5.949 ( 0.000 -20.544 -5.071) 21.161 5.949 ( 0.000 20.544 -5.071) 21.161 7.044 ( 0.000 -13.446 15.400) 20.444 7.044 ( 0.000 13.446 15.400) 20.444 7.748 ( 0.000 -7.287 -3.610) 8.132 7.748 ( 0.000 7.287 -3.610) 8.132 8.431 ( 0.000 -4.193 -1.728) 4.535 8.431 ( 0.000 4.193 -1.728) 4.535 9.112 ( 0.000 -21.222 -21.615) 30.292 9.112 ( 0.000 21.222 -21.615) 30.292 10.068 ( 0.000 -4.306 -1.785) 4.661 10.068 ( 0.000 4.306 -1.785) 4.661 10.328 ( 0.000 -4.263 0.904) 4.358 10.328 ( 0.000 4.263 0.904) 4.358 11.882 ( 0.000 -1.923 3.104) 3.652 11.882 ( 0.000 1.923 3.104) 3.652 12.783 ( 0.000 -2.473 4.496) 5.131 12.783 ( 0.000 2.473 4.496) 5.131 13.320 ( 0.000 -2.843 2.598) 3.851 13.320 ( 0.000 2.843 2.598) 3.851 13.732 ( 0.000 -1.100 -3.977) 4.127 13.732 ( 0.000 1.100 -3.977) 4.127 19.307 ( 0.000 -4.348 1.884) 4.739 19.307 ( 0.000 4.348 1.884) 4.739 19.921 ( 0.000 -4.814 -1.187) 4.958 19.921 ( 0.000 4.814 -1.187) 4.958 20.532 ( 0.000 -13.809 14.812) 20.251 20.532 ( 0.000 13.809 14.812) 20.251 21.436 ( 0.000 -12.838 -11.768) 17.415 21.436 ( 0.000 12.838 -11.768) 17.415 22.441 ( 0.000 -0.265 1.862) 1.880 22.441 ( 0.000 0.265 1.862) 1.880 22.812 ( 0.000 -4.826 1.184) 4.969 22.812 ( 0.000 4.826 1.184) 4.969 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.12 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 4.195 -7.194 13.304) 15.695 1.417 ( 4.195 7.194 13.304) 15.695 1.805 ( 6.291 -8.060 13.657) 17.060 1.805 ( 6.291 8.060 13.657) 17.060 2.335 ( -1.945 -1.353 2.404) 3.376 2.335 ( -1.945 1.353 2.404) 3.376 2.458 ( 0.771 -3.710 -6.979) 7.942 2.458 ( 0.771 3.710 -6.979) 7.942 3.043 ( 1.376 -12.975 -15.162) 20.003 3.043 ( 1.376 12.975 -15.162) 20.003 3.427 ( -1.950 -6.731 -9.399) 11.724 3.427 ( -1.950 6.731 -9.399) 11.724 3.651 ( -0.265 -6.880 8.192) 10.701 3.651 ( -0.265 6.880 8.192) 10.701 3.834 ( -0.691 -5.575 10.398) 11.819 3.834 ( -0.691 5.575 10.398) 11.819 4.232 ( -4.807 -1.529 7.094) 8.705 4.232 ( -4.807 1.529 7.094) 8.705 4.539 ( 1.227 -6.573 2.754) 7.232 4.539 ( 1.227 6.573 2.754) 7.232 4.734 ( -1.011 -2.624 -4.968) 5.708 4.734 ( -1.011 2.624 -4.968) 5.708 5.080 ( -6.956 -4.486 -6.523) 10.539 5.080 ( -6.956 4.486 -6.523) 10.539 5.730 ( 4.191 -19.293 0.168) 19.744 5.730 ( 4.191 19.293 0.168) 19.744 6.013 ( 5.204 -19.327 -5.176) 20.673 6.013 ( 5.204 19.327 -5.176) 20.673 7.082 ( 3.684 -11.907 14.032) 18.768 7.082 ( 3.684 11.907 14.032) 18.768 7.730 ( -1.851 -6.575 -2.946) 7.439 7.730 ( -1.851 6.575 -2.946) 7.439 8.465 ( 3.284 -8.305 -2.262) 9.213 8.465 ( 3.284 8.305 -2.262) 9.213 9.094 ( -1.896 -21.383 -20.514) 29.692 9.094 ( -1.896 21.383 -20.514) 29.692 10.077 ( 0.854 -4.632 -1.726) 5.016 10.077 ( 0.854 4.632 -1.726) 5.016 10.308 ( -1.838 -4.621 0.606) 5.010 10.308 ( -1.838 4.621 0.606) 5.010 11.928 ( 4.475 -2.627 3.319) 6.160 11.928 ( 4.475 2.627 3.319) 6.160 12.752 ( -3.051 -2.945 4.833) 6.429 12.752 ( -3.051 2.945 4.833) 6.429 13.331 ( 1.083 -3.035 1.557) 3.579 13.331 ( 1.083 3.035 1.557) 3.579 13.710 ( -2.122 -0.697 -4.323) 4.866 13.710 ( -2.122 0.697 -4.323) 4.866 19.344 ( 3.660 -5.060 1.754) 6.487 19.344 ( 3.660 5.060 1.754) 6.487 19.912 ( -0.927 -5.036 -1.155) 5.249 19.912 ( -0.927 5.036 -1.155) 5.249 20.510 ( -2.115 -13.337 13.853) 19.346 20.510 ( -2.115 13.337 13.853) 19.346 21.335 ( -9.652 -10.749 -9.908) 17.518 21.335 ( -9.652 10.749 -9.908) 17.518 22.460 ( 1.827 -2.794 1.462) 3.645 22.460 ( 1.827 2.794 1.462) 3.645 22.805 ( -0.769 -4.597 1.296) 4.838 22.805 ( -0.769 4.597 1.296) 4.838 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.25 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 8.088 -8.769 11.243) 16.392 1.541 ( 8.088 8.769 11.243) 16.392 1.959 ( 8.191 -5.650 8.842) 13.312 1.959 ( 8.191 5.650 8.842) 13.312 2.269 ( -4.095 -2.437 4.721) 6.708 2.269 ( -4.095 2.437 4.721) 6.708 2.486 ( 1.518 -3.928 -7.368) 8.486 2.486 ( 1.518 3.928 -7.368) 8.486 3.080 ( 2.201 -12.377 -14.577) 19.249 3.080 ( 2.201 12.377 -14.577) 19.249 3.372 ( -3.572 -8.918 -10.928) 14.550 3.372 ( -3.572 8.918 -10.928) 14.550 3.627 ( -2.130 -10.342 9.454) 14.173 3.627 ( -2.130 10.342 9.454) 14.173 3.800 ( -3.255 -7.828 3.288) 9.093 3.800 ( -3.255 7.828 3.288) 9.093 4.158 ( -0.690 -9.026 10.014) 13.499 4.158 ( -0.690 9.026 10.014) 13.499 4.564 ( 0.692 -3.762 3.480) 5.172 4.564 ( 0.692 3.762 3.480) 5.172 4.705 ( -1.765 -1.793 -3.151) 4.033 4.705 ( -1.765 1.793 -3.151) 4.033 4.925 ( -7.766 -4.046 -4.187) 9.707 4.925 ( -7.766 4.046 -4.187) 9.707 5.845 ( 6.868 -18.456 1.433) 19.745 5.845 ( 6.868 18.456 1.433) 19.745 6.109 ( 3.655 -17.542 -3.666) 18.289 6.109 ( 3.655 17.542 -3.666) 18.289 7.182 ( 6.152 -8.131 10.644) 14.740 7.182 ( 6.152 8.131 10.644) 14.740 7.675 ( -3.614 -4.852 -1.259) 6.180 7.675 ( -3.614 4.852 -1.259) 6.180 8.555 ( 5.588 -14.065 -3.911) 15.632 8.555 ( 5.588 14.065 -3.911) 15.632 9.036 ( -3.915 -21.734 -17.669) 28.282 9.036 ( -3.915 21.734 -17.669) 28.282 10.100 ( 1.438 -5.504 -1.498) 5.882 10.100 ( 1.438 5.504 -1.498) 5.882 10.262 ( -2.554 -5.525 -0.013) 6.087 10.262 ( -2.554 5.525 -0.013) 6.087 12.049 ( 7.399 -3.702 3.897) 9.145 12.049 ( 7.399 3.702 3.897) 9.145 12.666 ( -5.543 -3.769 5.416) 8.618 12.666 ( -5.543 3.769 5.416) 8.618 13.363 ( 2.142 -3.295 -0.895) 4.031 13.363 ( 2.142 3.295 -0.895) 4.031 13.652 ( -3.629 -0.373 -5.084) 6.258 13.652 ( -3.629 0.373 -5.084) 6.258 19.447 ( 6.538 -6.739 1.385) 9.490 19.447 ( 6.538 6.739 1.385) 9.490 19.884 ( -1.971 -5.951 -0.960) 6.342 19.884 ( -1.971 5.951 -0.960) 6.342 20.463 ( -1.980 -11.883 11.234) 16.472 20.463 ( -1.980 11.883 11.234) 16.472 21.084 ( -14.564 -6.787 -5.741) 17.063 21.084 ( -14.564 6.787 -5.741) 17.063 22.510 ( 3.064 -3.631 0.906) 4.836 22.510 ( 3.064 3.631 0.906) 4.836 22.778 ( -1.921 -4.024 1.402) 4.674 22.778 ( -1.921 4.024 1.402) 4.674 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.38 -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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 9.804 -8.004 8.880) 15.461 1.724 ( 9.804 8.004 8.880) 15.461 2.046 ( -2.580 -4.913 5.266) 7.650 2.046 ( -2.580 4.913 5.266) 7.650 2.247 ( 4.869 -3.534 4.527) 7.530 2.247 ( 4.869 3.534 4.527) 7.530 2.487 ( -2.135 -3.488 -4.206) 5.866 2.487 ( -2.135 3.488 -4.206) 5.866 3.128 ( 2.741 -11.978 -14.380) 18.915 3.128 ( 2.741 11.978 -14.380) 18.915 3.286 ( -4.801 -11.230 -12.626) 17.566 3.286 ( -4.801 11.230 -12.626) 17.566 3.590 ( -0.668 -10.839 7.784) 13.361 3.590 ( -0.668 10.839 7.784) 13.361 3.709 ( -5.149 -10.077 2.035) 11.498 3.709 ( -5.149 10.077 2.035) 11.498 4.226 ( 6.644 -12.210 8.455) 16.270 4.226 ( 6.644 12.210 8.455) 16.270 4.528 ( -5.092 -7.351 1.084) 9.008 4.528 ( -5.092 7.351 1.084) 9.008 4.685 ( 0.539 -3.303 0.719) 3.423 4.685 ( 0.539 3.303 0.719) 3.423 4.795 ( -4.946 -1.355 -0.459) 5.149 4.795 ( -4.946 1.355 -0.459) 5.149 5.985 ( 6.729 -17.210 1.842) 18.570 5.985 ( 6.729 17.210 1.842) 18.570 6.143 ( -0.310 -16.702 -1.016) 16.736 6.143 ( -0.310 16.702 -1.016) 16.736 7.317 ( 7.179 -4.345 6.875) 10.848 7.317 ( 7.179 4.345 6.875) 10.848 7.585 ( -5.507 -3.190 1.005) 6.443 7.585 ( -5.507 3.190 1.005) 6.443 8.680 ( 6.731 -18.545 -6.675) 20.828 8.680 ( 6.731 18.545 -6.675) 20.828 8.940 ( -5.660 -21.860 -14.006) 26.572 8.940 ( -5.660 21.860 -14.006) 26.572 10.132 ( 1.735 -6.493 -1.138) 6.817 10.132 ( 1.735 6.493 -1.138) 6.817 10.213 ( -2.373 -6.509 -0.512) 6.947 10.213 ( -2.373 6.509 -0.512) 6.947 12.210 ( 8.526 -4.393 4.663) 10.665 12.210 ( 8.526 4.393 4.663) 10.665 12.537 ( -7.305 -4.377 5.645) 10.217 12.537 ( -7.305 4.377 5.645) 10.217 13.416 ( 3.190 -3.209 -3.471) 5.703 13.416 ( 3.190 3.209 -3.471) 5.703 13.572 ( -4.247 -1.584 -5.595) 7.200 13.572 ( -4.247 1.584 -5.595) 7.200 19.592 ( 7.570 -8.515 0.855) 11.425 19.592 ( 7.570 8.515 0.855) 11.425 19.829 ( -3.686 -7.717 -0.421) 8.563 19.829 ( -3.686 7.717 -0.421) 8.563 20.457 ( 1.981 -9.392 7.490) 12.175 20.457 ( 1.981 9.392 7.490) 12.175 20.792 ( -13.907 -4.936 -1.170) 14.803 20.792 ( -13.907 4.936 -1.170) 14.803 22.579 ( 3.810 -3.425 0.742) 5.176 22.579 ( 3.810 3.425 0.742) 5.176 22.728 ( -3.143 -3.456 1.248) 4.835 22.728 ( -3.143 3.456 1.248) 4.835 ======================= Grid point 224 (80/100) ======================= 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -8.784 -6.232 6.816) 12.746 1.913 ( 7.995 -5.961 6.816) 12.079 1.913 ( -7.995 5.961 6.816) 12.079 1.913 ( 8.784 6.232 6.816) 12.746 2.391 ( -7.147 -3.264 0.151) 7.859 2.391 ( -6.839 3.095 0.151) 7.508 2.391 ( 6.839 -3.095 0.151) 7.508 2.391 ( 7.147 3.264 0.151) 7.859 3.195 ( -3.975 -12.349 -13.851) 18.978 3.195 ( 3.894 -12.343 -13.851) 18.957 3.195 ( -3.894 12.343 -13.851) 18.957 3.195 ( 3.975 12.349 -13.851) 18.978 3.619 ( -3.100 -11.850 4.586) 13.079 3.619 ( 2.859 -11.835 4.586) 13.010 3.619 ( -2.859 11.835 4.586) 13.010 3.619 ( 3.100 11.850 4.586) 13.079 4.384 ( -8.000 -12.881 3.594) 15.584 4.384 ( 6.929 -12.725 3.594) 14.929 4.384 ( -6.929 12.725 3.594) 14.929 4.384 ( 8.000 12.881 3.594) 15.584 4.721 ( -2.710 -3.857 1.498) 4.946 4.721 ( 2.564 -3.832 1.498) 4.848 4.721 ( -2.564 3.832 1.498) 4.848 4.721 ( 2.710 3.857 1.498) 4.946 6.097 ( -4.214 -16.633 1.058) 17.191 6.097 ( 4.211 -16.633 1.058) 17.190 6.097 ( -4.211 16.633 1.058) 17.190 6.097 ( 4.214 16.633 1.058) 17.191 7.459 ( -6.553 -3.140 3.673) 8.142 7.459 ( -2.604 -0.906 3.673) 4.592 7.459 ( 2.604 0.906 3.673) 4.592 7.459 ( 6.553 3.140 3.673) 8.142 8.815 ( -6.660 -21.207 -10.200) 24.456 8.815 ( 6.628 -21.204 -10.200) 24.445 8.815 ( -6.628 21.204 -10.200) 24.445 8.815 ( 6.660 21.207 -10.200) 24.456 10.169 ( -1.260 -11.988 -0.818) 12.082 10.169 ( 1.037 -11.983 -0.818) 12.055 10.169 ( -1.037 11.983 -0.818) 12.055 10.169 ( 1.260 11.988 -0.818) 12.082 12.380 ( -6.619 -7.759 5.344) 11.514 12.380 ( 0.531 -7.023 5.344) 8.841 12.380 ( -0.531 7.023 5.344) 8.841 12.380 ( 6.619 7.759 5.344) 11.514 13.488 ( -3.842 -2.910 -5.160) 7.061 13.488 ( 1.601 -2.328 -5.160) 5.883 13.488 ( -1.601 2.328 -5.160) 5.883 13.488 ( 3.842 2.910 -5.160) 7.061 19.732 ( -5.975 -9.442 0.267) 11.177 19.732 ( 5.585 -9.382 0.267) 10.921 19.732 ( -5.584 9.382 0.267) 10.921 19.732 ( 5.975 9.442 0.267) 11.177 20.561 ( -8.399 -7.046 3.225) 11.427 20.561 ( 5.184 -6.223 3.225) 8.718 20.561 ( -5.184 6.223 3.225) 8.718 20.561 ( 8.399 7.046 3.225) 11.427 22.657 ( -2.687 -6.110 0.935) 6.740 22.657 ( 0.914 -5.978 0.935) 6.119 22.657 ( -0.914 5.978 0.935) 6.119 22.657 ( 2.687 6.110 0.935) 6.740 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 0.000 0.523) 0.523 1.776 ( 0.000 0.000 17.602) 17.602 1.886 ( 0.000 0.000 -6.710) 6.710 2.105 ( 0.000 0.000 -13.146) 13.146 2.152 ( 0.000 0.000 10.604) 10.604 2.390 ( 0.000 0.000 -9.455) 9.455 2.446 ( 0.000 0.000 -2.345) 2.345 2.546 ( 0.000 0.000 -10.751) 10.751 2.616 ( 0.000 0.000 13.922) 13.922 2.767 ( 0.000 0.000 -0.214) 0.214 3.232 ( 0.000 0.000 0.585) 0.585 3.291 ( 0.000 0.000 -4.744) 4.744 3.603 ( 0.000 0.000 28.771) 28.771 3.834 ( 0.000 0.000 17.536) 17.536 4.185 ( 0.000 0.000 11.546) 11.546 4.279 ( 0.000 0.000 4.533) 4.533 4.282 ( 0.000 0.000 -12.287) 12.287 4.330 ( 0.000 0.000 0.801) 0.801 4.357 ( 0.000 0.000 -2.572) 2.572 4.482 ( 0.000 0.000 -19.550) 19.550 4.571 ( 0.000 0.000 -3.670) 3.670 4.642 ( 0.000 0.000 -8.707) 8.707 4.799 ( 0.000 0.000 -1.215) 1.215 4.875 ( 0.000 0.000 -7.845) 7.845 4.944 ( 0.000 0.000 1.706) 1.706 4.995 ( 0.000 0.000 -2.120) 2.120 6.687 ( 0.000 0.000 2.298) 2.298 6.743 ( 0.000 0.000 -2.815) 2.815 6.990 ( 0.000 0.000 17.516) 17.516 7.291 ( 0.000 0.000 -11.155) 11.155 7.807 ( 0.000 0.000 6.428) 6.428 7.950 ( 0.000 0.000 -7.520) 7.520 8.055 ( 0.000 0.000 -4.317) 4.317 8.057 ( 0.000 0.000 -4.543) 4.543 9.082 ( 0.000 0.000 22.323) 22.323 9.530 ( 0.000 0.000 0.384) 0.384 9.569 ( 0.000 0.000 -3.258) 3.258 9.578 ( 0.000 0.000 -24.795) 24.795 10.601 ( 0.000 0.000 1.552) 1.552 10.624 ( 0.000 0.000 -0.717) 0.717 11.945 ( 0.000 0.000 2.447) 2.447 11.974 ( 0.000 0.000 -0.208) 0.208 12.760 ( 0.000 0.000 4.388) 4.388 12.831 ( 0.000 0.000 -2.474) 2.474 13.308 ( 0.000 0.000 9.159) 9.159 13.434 ( 0.000 0.000 -0.640) 0.640 13.611 ( 0.000 0.000 -1.926) 1.926 13.689 ( 0.000 0.000 -7.003) 7.003 19.145 ( 0.000 0.000 7.265) 7.265 19.301 ( 0.000 0.000 -7.442) 7.442 19.953 ( 0.000 0.000 5.088) 5.088 20.025 ( 0.000 0.000 -1.670) 1.670 20.160 ( 0.000 0.000 18.524) 18.524 20.556 ( 0.000 0.000 -19.123) 19.123 21.442 ( 0.000 0.000 15.713) 15.713 21.745 ( 0.000 0.000 -13.081) 13.081 22.475 ( 0.000 0.000 1.807) 1.807 22.505 ( 0.000 0.000 -1.161) 1.161 22.784 ( 0.000 0.000 6.426) 6.426 22.915 ( 0.000 0.000 -6.001) 6.001 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.12 0.00 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -1.194 0.000 1.468) 1.892 1.812 ( 3.559 0.000 17.049) 17.417 1.875 ( -1.129 0.000 -7.848) 7.929 2.129 ( 2.314 0.000 -12.427) 12.641 2.182 ( 2.975 0.000 10.488) 10.902 2.411 ( 1.860 0.000 -9.133) 9.320 2.444 ( -0.150 0.000 -2.727) 2.731 2.540 ( -0.619 0.000 -10.734) 10.752 2.618 ( 0.258 0.000 13.232) 13.235 2.761 ( -0.630 0.000 0.023) 0.631 3.246 ( 1.202 0.000 0.160) 1.213 3.297 ( 0.363 0.000 -4.408) 4.423 3.627 ( 2.187 0.000 26.917) 27.005 3.789 ( -5.189 0.000 19.651) 20.325 4.040 ( -14.264 0.000 6.737) 15.775 4.167 ( -10.477 0.000 -16.378) 19.442 4.188 ( -6.677 0.000 4.427) 8.011 4.295 ( -3.541 0.000 -4.585) 5.793 4.318 ( 1.591 0.000 -2.196) 2.712 4.481 ( 1.657 0.000 -16.118) 16.203 4.618 ( 4.030 0.000 0.874) 4.124 4.712 ( 5.539 0.000 -7.236) 9.112 4.828 ( 0.050 0.000 1.721) 1.722 4.872 ( -0.108 0.000 -3.010) 3.012 5.094 ( 10.670 0.000 0.113) 10.671 5.121 ( 12.086 0.000 -3.224) 12.509 6.695 ( 0.783 0.000 2.603) 2.718 6.756 ( 1.265 0.000 -2.990) 3.247 7.048 ( 5.706 0.000 16.853) 17.793 7.339 ( 4.603 0.000 -10.813) 11.751 7.808 ( 0.017 0.000 6.074) 6.074 7.940 ( -1.202 0.000 -6.739) 6.845 7.967 ( -7.815 0.000 -2.305) 8.148 7.999 ( -5.532 0.000 -5.549) 7.836 9.169 ( 7.824 0.000 18.521) 20.106 9.521 ( -0.829 0.000 0.271) 0.872 9.555 ( -1.323 0.000 -2.864) 3.155 9.603 ( 2.271 0.000 -22.483) 22.598 10.605 ( 0.538 0.000 1.942) 2.015 10.637 ( 1.098 0.000 -1.125) 1.572 11.962 ( 1.743 0.000 2.863) 3.351 11.998 ( 2.333 0.000 -0.467) 2.379 12.736 ( -2.392 0.000 4.286) 4.909 12.807 ( -2.424 0.000 -2.539) 3.511 13.300 ( -0.822 0.000 8.260) 8.301 13.432 ( -0.277 0.000 -1.795) 1.816 13.582 ( -2.781 0.000 -1.393) 3.110 13.665 ( -2.183 0.000 -6.300) 6.667 19.178 ( 3.213 0.000 7.699) 8.342 19.341 ( 3.912 0.000 -7.708) 8.644 19.966 ( 1.320 0.000 4.996) 5.168 20.035 ( 1.042 0.000 -1.527) 1.849 20.129 ( -3.047 0.000 17.840) 18.098 20.512 ( -4.318 0.000 -18.578) 19.073 21.358 ( -8.162 0.000 13.719) 15.964 21.612 ( -12.787 0.000 -10.313) 16.428 22.434 ( -2.188 0.000 3.196) 3.873 22.480 ( -1.193 0.000 -1.159) 1.663 22.852 ( 4.551 0.000 4.023) 6.074 22.952 ( 2.900 0.000 -5.163) 5.922 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.25 0.00 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -0.787 0.000 1.900) 2.056 1.841 ( -2.138 0.000 -7.791) 8.079 1.916 ( 6.844 0.000 15.041) 16.525 2.192 ( 3.799 0.000 -10.228) 10.911 2.262 ( 4.780 0.000 8.554) 9.799 2.445 ( 0.325 0.000 -3.962) 3.975 2.451 ( 1.833 0.000 -7.190) 7.420 2.521 ( -1.212 0.000 -10.120) 10.192 2.631 ( 1.160 0.000 10.606) 10.669 2.742 ( -1.200 0.000 1.344) 1.802 3.267 ( 0.642 0.000 -1.156) 1.322 3.296 ( -0.580 0.000 -3.585) 3.632 3.577 ( -12.779 0.000 15.021) 19.722 3.624 ( -11.139 0.000 14.077) 17.951 3.803 ( -2.044 0.000 7.677) 7.945 4.017 ( -3.294 0.000 -12.288) 12.722 4.070 ( -4.354 0.000 4.349) 6.154 4.215 ( -4.066 0.000 -8.912) 9.795 4.386 ( 4.161 0.000 0.861) 4.249 4.535 ( 2.988 0.000 -12.143) 12.506 4.707 ( 4.613 0.000 4.904) 6.733 4.802 ( -2.147 0.000 2.651) 3.411 4.817 ( 4.369 0.000 -5.638) 7.132 4.855 ( -1.486 0.000 -2.400) 2.822 5.320 ( 10.821 0.000 2.518) 11.110 5.361 ( 10.939 0.000 -1.560) 11.049 6.721 ( 1.930 0.000 3.245) 3.775 6.790 ( 2.033 0.000 -2.957) 3.589 7.203 ( 9.428 0.000 14.667) 17.436 7.456 ( 6.603 0.000 -9.210) 11.333 7.788 ( -9.148 0.000 -0.732) 9.177 7.802 ( -0.684 0.000 4.604) 4.655 7.857 ( -8.207 0.000 -7.226) 10.935 7.894 ( -3.595 0.000 -4.290) 5.598 9.350 ( 9.460 0.000 11.525) 14.910 9.502 ( -0.924 0.000 -0.009) 0.924 9.524 ( -1.600 0.000 -1.986) 2.550 9.652 ( 2.158 0.000 -16.919) 17.056 10.623 ( 1.141 0.000 2.150) 2.434 10.659 ( 0.963 0.000 -1.293) 1.613 12.013 ( 3.334 0.000 3.633) 4.931 12.060 ( 3.642 0.000 -0.643) 3.698 12.671 ( -3.802 0.000 3.795) 5.372 12.739 ( -4.172 0.000 -2.643) 4.939 13.279 ( -1.052 0.000 5.554) 5.652 13.417 ( -1.697 0.000 -6.498) 6.716 13.516 ( -2.937 0.000 2.530) 3.877 13.614 ( -2.784 0.000 -4.910) 5.644 19.269 ( 5.866 0.000 8.706) 10.498 19.446 ( 6.228 0.000 -7.685) 9.892 20.010 ( 3.264 0.000 4.694) 5.717 20.048 ( -4.691 0.000 15.237) 15.943 20.070 ( 2.562 0.000 -0.975) 2.741 20.390 ( -7.752 0.000 -16.935) 18.625 21.141 ( -12.737 0.000 9.001) 15.596 21.287 ( -18.250 0.000 -4.516) 18.800 22.430 ( 1.638 0.000 3.170) 3.569 22.479 ( 1.061 0.000 -1.195) 1.598 22.918 ( 1.850 0.000 2.781) 3.340 22.994 ( 0.759 0.000 -4.117) 4.187 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.38 0.00 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 0.443 0.000 0.401) 0.598 1.796 ( -2.279 0.000 -5.634) 6.077 2.072 ( 8.311 0.000 10.334) 13.261 2.255 ( 1.475 0.000 -6.286) 6.457 2.360 ( 4.749 0.000 4.607) 6.617 2.458 ( 1.000 0.000 -4.661) 4.767 2.471 ( -0.083 0.000 -4.414) 4.415 2.501 ( -0.551 0.000 -8.158) 8.176 2.660 ( 1.553 0.000 8.200) 8.346 2.717 ( -1.238 0.000 4.084) 4.268 3.265 ( -0.691 0.000 -2.611) 2.700 3.275 ( -1.257 0.000 -3.081) 3.327 3.316 ( -11.101 0.000 5.956) 12.598 3.348 ( -12.415 0.000 3.089) 12.794 3.875 ( 5.132 0.000 9.291) 10.614 3.989 ( -0.724 0.000 -3.197) 3.278 4.031 ( 0.360 0.000 2.177) 2.207 4.138 ( -3.691 0.000 -7.698) 8.537 4.470 ( 4.121 0.000 1.660) 4.443 4.577 ( 0.669 0.000 -7.318) 7.349 4.760 ( -1.402 0.000 2.160) 2.575 4.795 ( 4.060 0.000 4.346) 5.947 4.816 ( -2.382 0.000 -2.500) 3.453 4.873 ( 1.049 0.000 -3.163) 3.333 5.500 ( 6.921 0.000 3.532) 7.771 5.531 ( 5.777 0.000 0.606) 5.809 6.770 ( 2.839 0.000 3.364) 4.402 6.825 ( 1.095 0.000 -1.377) 1.759 7.404 ( 10.325 0.000 10.817) 14.953 7.581 ( 5.318 0.000 -5.410) 7.586 7.638 ( -5.245 0.000 -2.354) 5.750 7.698 ( -7.091 0.000 -7.776) 10.524 7.775 ( -2.140 0.000 1.592) 2.667 7.795 ( -5.992 0.000 -0.726) 6.036 9.488 ( -0.449 0.000 -0.322) 0.553 9.497 ( -1.003 0.000 -1.157) 1.531 9.521 ( 7.367 0.000 4.288) 8.524 9.673 ( -0.256 0.000 -10.085) 10.089 10.647 ( 1.181 0.000 1.632) 2.014 10.671 ( 0.189 0.000 -0.622) 0.650 12.087 ( 3.766 0.000 3.990) 5.487 12.128 ( 2.668 0.000 0.355) 2.691 12.601 ( -2.740 0.000 2.213) 3.522 12.651 ( -4.363 0.000 -2.381) 4.970 13.267 ( 0.072 0.000 1.473) 1.475 13.355 ( -3.865 0.000 -7.113) 8.095 13.493 ( 0.383 0.000 3.078) 3.102 13.560 ( -2.518 0.000 -3.020) 3.932 19.402 ( 7.131 0.000 9.423) 11.817 19.555 ( 3.262 0.000 -2.956) 4.402 19.975 ( -1.264 0.000 6.851) 6.967 20.094 ( 4.824 0.000 4.064) 6.307 20.133 ( 3.372 0.000 0.313) 3.386 20.216 ( -9.382 0.000 -13.927) 16.792 20.895 ( -10.647 0.000 4.391) 11.517 20.949 ( -14.265 0.000 -0.428) 14.272 22.480 ( 2.812 0.000 2.505) 3.766 22.510 ( 1.593 0.000 -0.174) 1.602 22.935 ( 0.313 0.000 1.418) 1.452 22.982 ( -1.608 0.000 -2.763) 3.197 ======================= Grid point 256 (85/100) ======================= q-point: (-0.50 0.00 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -1.641 0.000 -2.502) 2.993 1.756 ( 1.641 0.000 -2.502) 2.993 2.217 ( -5.302 0.000 1.724) 5.575 2.217 ( 5.302 0.000 1.724) 5.575 2.440 ( -3.012 0.000 -0.474) 3.049 2.440 ( 3.012 0.000 -0.474) 3.049 2.487 ( -1.430 0.000 -5.424) 5.609 2.487 ( 1.430 0.000 -5.424) 5.609 2.691 ( -1.496 0.000 6.751) 6.915 2.691 ( 1.496 0.000 6.751) 6.915 3.204 ( -0.981 0.000 1.816) 2.064 3.204 ( 0.982 0.000 1.816) 2.064 3.258 ( -0.282 0.000 -3.184) 3.197 3.258 ( 0.282 0.000 -3.184) 3.197 3.958 ( -2.834 0.000 3.273) 4.329 3.958 ( 2.834 0.000 3.273) 4.329 4.070 ( -3.035 0.000 -2.716) 4.072 4.070 ( 3.035 0.000 -2.716) 4.072 4.547 ( -3.320 0.000 -0.389) 3.343 4.547 ( 3.320 0.000 -0.389) 3.343 4.768 ( -1.987 0.000 -1.575) 2.535 4.768 ( 1.987 0.000 -1.575) 2.535 4.860 ( -2.190 0.000 0.683) 2.294 4.860 ( 2.190 0.000 0.683) 2.294 5.581 ( -0.898 0.000 2.647) 2.796 5.581 ( 0.898 0.000 2.647) 2.796 6.820 ( -1.685 0.000 1.682) 2.381 6.820 ( 1.685 0.000 1.682) 2.381 7.589 ( -6.888 0.000 5.086) 8.562 7.589 ( 6.888 0.000 5.086) 8.562 7.602 ( -1.857 0.000 -5.912) 6.196 7.602 ( 1.857 0.000 -5.912) 6.196 7.727 ( -1.766 0.000 -1.843) 2.553 7.727 ( 1.766 0.000 -1.843) 2.553 9.485 ( -0.219 0.000 -0.640) 0.677 9.485 ( 0.219 0.000 -0.640) 0.677 9.634 ( -3.829 0.000 -2.928) 4.820 9.634 ( 3.829 0.000 -2.928) 4.820 10.666 ( -0.661 0.000 0.552) 0.861 10.666 ( 0.661 0.000 0.552) 0.861 12.144 ( -1.336 0.000 2.805) 3.107 12.144 ( 1.336 0.000 2.805) 3.107 12.586 ( -1.554 0.000 -0.703) 1.705 12.586 ( 1.554 0.000 -0.703) 1.705 13.290 ( -2.297 0.000 -3.010) 3.786 13.290 ( 2.297 0.000 -3.010) 3.786 13.517 ( -1.782 0.000 -0.271) 1.802 13.517 ( 1.782 0.000 -0.271) 1.802 19.532 ( -5.036 0.000 7.152) 8.747 19.532 ( 5.036 0.000 7.152) 8.747 20.040 ( -7.291 0.000 -7.443) 10.419 20.040 ( 7.291 0.000 -7.443) 10.419 20.166 ( -1.168 0.000 2.525) 2.782 20.166 ( 1.168 0.000 2.525) 2.782 20.783 ( -1.057 0.000 1.568) 1.891 20.783 ( 1.057 0.000 1.568) 1.891 22.521 ( -0.876 0.000 1.382) 1.636 22.521 ( 0.876 0.000 1.382) 1.636 22.948 ( -1.314 0.000 -0.785) 1.530 22.948 ( 1.314 0.000 -0.785) 1.530 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.000 -0.864 9.688) 9.727 1.852 ( 0.000 4.056 13.403) 14.003 1.960 ( 0.000 5.139 -6.165) 8.026 2.055 ( 0.000 -6.636 9.455) 11.551 2.172 ( 0.000 5.683 -11.778) 13.077 2.351 ( 0.000 -3.633 -10.884) 11.475 2.423 ( 0.000 -2.265 0.499) 2.320 2.523 ( 0.000 -7.160 14.563) 16.228 2.564 ( 0.000 1.593 -9.439) 9.573 2.733 ( 0.000 -1.680 -5.425) 5.680 3.267 ( 0.000 1.535 0.124) 1.540 3.339 ( 0.000 3.489 -5.088) 6.170 3.663 ( 0.000 3.873 17.992) 18.404 3.756 ( 0.000 -5.874 11.135) 12.589 4.137 ( 0.000 -2.168 8.222) 8.503 4.221 ( 0.000 -5.509 1.406) 5.685 4.303 ( 0.000 2.710 -1.748) 3.225 4.332 ( 0.000 2.995 3.369) 4.508 4.483 ( 0.000 6.866 -0.557) 6.889 4.489 ( 0.000 1.219 -8.315) 8.404 4.632 ( 0.000 4.337 -6.715) 7.994 4.694 ( 0.000 1.815 -10.045) 10.208 4.836 ( 0.000 1.557 2.998) 3.378 4.922 ( 0.000 4.054 -6.295) 7.488 5.018 ( 0.000 9.033 -2.878) 9.480 5.034 ( 0.000 6.815 -2.752) 7.350 6.551 ( 0.000 -12.775 2.777) 13.074 6.615 ( 0.000 -11.946 -3.209) 12.369 7.034 ( 0.000 4.310 17.195) 17.727 7.332 ( 0.000 3.769 -10.875) 11.510 7.754 ( 0.000 -4.936 7.018) 8.580 7.896 ( 0.000 -4.473 -6.874) 8.201 8.118 ( 0.000 5.355 -3.555) 6.427 8.140 ( 0.000 7.862 -5.988) 9.882 8.944 ( 0.000 -10.581 18.773) 21.550 9.360 ( 0.000 -12.211 -19.776) 23.242 9.671 ( 0.000 10.745 1.782) 10.892 9.755 ( 0.000 8.982 -7.004) 11.390 10.545 ( 0.000 -5.037 1.969) 5.408 10.575 ( 0.000 -4.522 -0.986) 4.628 11.938 ( 0.000 -0.558 2.631) 2.690 11.972 ( 0.000 -0.277 -0.499) 0.570 12.775 ( 0.000 1.439 4.065) 4.312 12.835 ( 0.000 0.385 -1.639) 1.684 13.319 ( 0.000 0.945 7.615) 7.673 13.424 ( 0.000 -0.922 -0.762) 1.196 13.621 ( 0.000 0.865 -1.604) 1.822 13.686 ( 0.000 -0.345 -6.036) 6.046 19.189 ( 0.000 3.845 5.991) 7.119 19.316 ( 0.000 1.292 -5.968) 6.106 19.909 ( 0.000 -2.529 6.019) 6.529 20.002 ( 0.000 -2.044 -2.752) 3.429 20.286 ( 0.000 10.289 16.123) 19.126 20.635 ( 0.000 7.356 -16.978) 18.503 21.370 ( 0.000 -6.770 15.216) 16.654 21.670 ( 0.000 -7.219 -13.118) 14.973 22.473 ( 0.000 -0.132 1.459) 1.465 22.494 ( 0.000 -0.920 -0.533) 1.063 22.786 ( 0.000 0.276 5.702) 5.708 22.901 ( 0.000 -1.288 -5.157) 5.315 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.12 0.17 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.512 -0.641 9.693) 9.728 1.875 ( 2.328 4.418 13.124) 14.042 1.963 ( 0.192 6.485 -8.103) 10.381 2.093 ( 3.505 -5.752 9.066) 11.294 2.180 ( 1.083 3.563 -8.779) 9.536 2.374 ( 2.036 -3.325 -9.986) 10.720 2.416 ( -0.590 -2.574 -0.733) 2.741 2.520 ( -0.233 -5.053 7.117) 8.731 2.573 ( 0.831 0.605 -4.171) 4.296 2.722 ( -1.036 -2.192 -4.160) 4.815 3.276 ( 0.766 1.202 -0.201) 1.439 3.342 ( 0.097 3.120 -4.892) 5.803 3.688 ( 2.283 3.162 16.305) 16.765 3.731 ( -2.690 -4.723 12.333) 13.477 4.046 ( -9.967 1.998 8.027) 12.953 4.167 ( -10.196 1.931 1.412) 10.473 4.202 ( -2.160 -3.991 -0.462) 4.561 4.255 ( -12.368 3.046 -7.869) 14.973 4.377 ( 2.829 3.248 -0.792) 4.379 4.505 ( 1.335 2.640 -9.381) 9.837 4.698 ( 0.921 3.685 -1.517) 4.090 4.740 ( 5.277 3.540 -5.141) 8.174 4.830 ( -0.563 -0.882 2.958) 3.138 4.906 ( -1.006 2.616 -4.805) 5.563 5.145 ( 10.374 5.545 0.266) 11.766 5.192 ( 12.199 8.707 -4.566) 15.668 6.563 ( 1.244 -12.325 2.977) 12.740 6.631 ( 1.598 -11.573 -3.391) 12.165 7.088 ( 5.239 3.847 16.389) 17.631 7.370 ( 3.521 2.772 -10.086) 11.037 7.740 ( -1.509 -5.378 6.487) 8.560 7.874 ( -2.281 -4.483 -6.556) 8.264 8.059 ( -4.934 7.088 -1.857) 8.833 8.103 ( -3.441 8.925 -6.389) 11.503 9.020 ( 6.825 -11.188 15.194) 20.065 9.375 ( 1.311 -11.844 -17.290) 20.999 9.668 ( -0.298 10.803 1.763) 10.950 9.751 ( -0.378 8.638 -6.971) 11.106 10.548 ( 0.357 -5.247 2.078) 5.655 10.581 ( 0.560 -5.079 -1.163) 5.240 11.961 ( 2.285 -0.025 3.076) 3.832 12.003 ( 2.920 0.293 -0.807) 3.044 12.751 ( -2.425 1.380 4.077) 4.940 12.812 ( -2.279 0.492 -1.792) 2.940 13.312 ( -0.650 1.074 7.013) 7.125 13.422 ( -0.238 -0.913 -1.532) 1.799 13.593 ( -2.692 0.963 -1.496) 3.226 13.659 ( -2.449 -0.525 -5.524) 6.066 19.220 ( 3.106 3.768 6.443) 8.084 19.356 ( 3.901 1.285 -6.333) 7.548 19.911 ( 0.226 -3.005 6.233) 6.923 20.006 ( 0.453 -2.464 -2.740) 3.712 20.260 ( -2.386 10.309 15.162) 18.490 20.592 ( -4.194 7.318 -16.258) 18.315 21.293 ( -7.554 -6.201 13.365) 16.557 21.546 ( -11.839 -6.342 -10.496) 17.045 22.440 ( -1.519 0.659 2.966) 3.397 22.486 ( -0.506 0.451 -1.307) 1.472 22.836 ( 3.473 -1.403 4.032) 5.504 22.928 ( 2.064 -2.220 -4.484) 5.413 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.25 0.17 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 1.774 1.881 8.271) 8.665 1.928 ( 1.143 6.270 -0.007) 6.373 1.981 ( 3.304 6.582 4.708) 8.741 2.174 ( 4.134 -2.932 1.520) 5.291 2.230 ( 3.981 -1.596 0.457) 4.313 2.397 ( -0.396 -3.648 0.175) 3.674 2.425 ( 1.886 -2.513 -10.214) 10.686 2.510 ( -0.940 -1.607 -4.762) 5.113 2.596 ( 1.500 -1.024 2.155) 2.818 2.695 ( -1.556 -3.106 -1.068) 3.634 3.288 ( 0.179 0.709 -1.079) 1.303 3.335 ( -0.864 2.422 -4.262) 4.977 3.603 ( -9.614 0.457 12.465) 15.749 3.742 ( -11.465 -2.166 -0.536) 11.680 3.779 ( -0.422 10.766 15.118) 18.564 4.011 ( -5.099 2.436 -3.367) 6.578 4.069 ( -5.090 -1.331 -1.938) 5.607 4.158 ( -2.607 -3.530 -4.931) 6.601 4.444 ( 3.582 3.931 0.787) 5.376 4.554 ( 2.628 1.633 -8.336) 8.891 4.721 ( 1.843 1.010 5.199) 5.608 4.810 ( -0.620 -0.071 1.710) 1.820 4.823 ( 1.801 0.720 -3.241) 3.777 4.882 ( -1.263 1.271 -4.276) 4.636 5.364 ( 10.667 5.041 2.897) 12.148 5.427 ( 10.502 7.109 -3.095) 13.054 6.601 ( 2.604 -11.186 3.307) 11.952 6.674 ( 2.428 -10.787 -3.309) 11.542 7.228 ( 8.329 2.409 13.723) 16.233 7.452 ( 4.020 -0.148 -7.125) 8.182 7.691 ( -3.200 -4.571 4.346) 7.072 7.806 ( -4.287 -3.501 -6.372) 8.440 7.962 ( -4.147 9.989 -0.339) 10.821 8.017 ( -4.965 10.781 -5.915) 13.261 9.173 ( 7.677 -12.170 8.570) 16.748 9.399 ( 0.821 -10.693 -11.822) 15.961 9.666 ( 0.252 10.653 1.715) 10.794 9.744 ( -0.306 7.472 -6.421) 9.857 10.560 ( 0.769 -5.874 1.982) 6.247 10.593 ( 0.476 -6.072 -1.185) 6.204 12.027 ( 4.197 1.342 3.845) 5.848 12.080 ( 4.494 1.692 -1.047) 4.915 12.685 ( -3.942 1.137 3.886) 5.651 12.748 ( -4.055 0.648 -2.063) 4.595 13.296 ( -0.774 1.458 5.000) 5.266 13.413 ( -0.815 -0.481 -4.652) 4.747 13.523 ( -3.741 0.757 0.687) 3.879 13.601 ( -3.141 -1.051 -4.543) 5.622 19.309 ( 5.642 3.541 7.467) 10.007 19.461 ( 6.200 1.299 -6.680) 9.206 19.916 ( 0.164 -4.104 6.945) 8.069 20.022 ( 1.129 -3.781 -2.910) 4.903 20.206 ( -2.377 10.131 11.827) 15.753 20.478 ( -6.917 7.572 -13.882) 17.259 21.093 ( -11.693 -4.622 9.003) 15.464 21.245 ( -16.938 -4.072 -5.087) 18.148 22.443 ( 1.703 1.295 3.011) 3.693 22.491 ( 1.183 1.185 -1.348) 2.149 22.886 ( 1.319 -2.889 2.767) 4.212 22.955 ( 0.261 -3.511 -3.531) 4.987 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.38 0.17 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 2.629 6.087 4.809) 8.191 1.911 ( -1.881 9.922 -4.273) 10.966 2.097 ( 7.078 2.438 9.786) 12.322 2.244 ( 2.291 -1.257 -2.148) 3.382 2.318 ( 4.208 -4.248 4.304) 7.367 2.392 ( -0.062 -5.285 -1.163) 5.412 2.442 ( -0.298 -1.327 -5.999) 6.151 2.490 ( -0.969 -1.297 -9.143) 9.286 2.628 ( 1.495 -1.772 2.827) 3.657 2.667 ( -1.096 -3.197 1.513) 3.703 3.279 ( -0.869 1.429 -1.234) 2.078 3.310 ( -1.293 2.069 -3.636) 4.379 3.397 ( -9.122 5.610 5.576) 12.074 3.453 ( -11.938 5.838 -0.570) 13.301 3.870 ( 4.578 1.744 6.522) 8.157 3.965 ( -0.720 0.809 -3.457) 3.623 4.019 ( -0.309 -2.462 2.751) 3.704 4.103 ( -2.841 -2.543 -4.240) 5.702 4.513 ( 3.311 3.534 1.597) 5.099 4.592 ( 0.781 1.461 -4.943) 5.213 4.759 ( 1.406 -2.135 5.702) 6.248 4.790 ( -0.353 1.142 1.917) 2.259 4.834 ( -0.677 0.460 -1.784) 1.963 4.864 ( -0.727 -1.057 -3.989) 4.190 5.545 ( 7.008 4.880 3.414) 9.197 5.588 ( 5.274 5.913 -0.599) 7.946 6.662 ( 3.214 -10.116 3.009) 11.033 6.715 ( 1.345 -10.162 -1.740) 10.398 7.392 ( 7.156 -0.444 8.196) 10.890 7.500 ( 0.525 -3.244 -2.645) 4.218 7.638 ( -1.304 -1.716 2.012) 2.948 7.731 ( -2.617 -2.143 -4.762) 5.841 7.898 ( -2.566 11.608 -1.568) 11.991 7.915 ( -4.784 13.453 -4.256) 14.899 9.303 ( 5.100 -11.941 2.154) 13.162 9.402 ( -0.540 -9.726 -6.728) 11.839 9.682 ( 1.340 9.396 1.144) 9.559 9.735 ( -0.708 6.439 -4.312) 7.782 10.577 ( 0.877 -6.530 1.369) 6.730 10.598 ( -0.015 -6.743 -0.615) 6.771 12.118 ( 4.591 2.982 4.125) 6.854 12.164 ( 3.390 3.356 -0.051) 4.770 12.610 ( -3.029 0.531 2.655) 4.063 12.660 ( -4.462 0.511 -1.926) 4.886 13.289 ( 0.288 1.923 1.541) 2.481 13.374 ( -3.162 1.541 -6.760) 7.621 13.479 ( -0.343 -1.181 2.657) 2.928 13.541 ( -2.746 -1.590 -3.134) 4.460 19.435 ( 6.700 3.073 8.121) 10.968 19.569 ( 3.350 1.490 -3.006) 4.741 19.922 ( 1.086 -3.930 4.374) 5.980 20.039 ( -0.221 -5.707 -4.372) 7.192 20.194 ( 1.509 8.176 6.504) 10.556 20.339 ( -6.201 8.393 -8.227) 13.288 20.869 ( -9.542 -2.620 4.569) 10.899 20.930 ( -13.321 -1.936 -0.965) 13.495 22.493 ( 2.784 1.322 2.376) 3.892 22.524 ( 1.583 1.315 -0.337) 2.085 22.895 ( -0.003 -3.701 1.422) 3.964 22.937 ( -1.729 -4.081 -2.369) 5.026 ======================= Grid point 265 (90/100) ======================= q-point: (-0.50 0.17 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -2.635 9.261 0.356) 9.635 1.865 ( 2.635 9.261 0.356) 9.635 2.224 ( -4.579 0.579 3.016) 5.514 2.224 ( 4.579 0.579 3.016) 5.514 2.379 ( -1.738 -5.447 1.276) 5.858 2.379 ( 1.738 -5.447 1.276) 5.858 2.457 ( -2.028 -2.011 -6.143) 6.775 2.457 ( 2.028 -2.011 -6.143) 6.775 2.651 ( -0.793 -2.332 2.043) 3.200 2.651 ( 0.793 -2.332 2.043) 3.200 3.280 ( -2.297 5.295 1.325) 5.922 3.280 ( 2.297 5.295 1.324) 5.921 3.313 ( -2.366 3.630 -3.266) 5.426 3.313 ( 2.366 3.630 -3.266) 5.426 3.939 ( -2.280 -0.026 0.332) 2.304 3.939 ( 2.280 -0.026 0.332) 2.304 4.048 ( -2.587 -1.956 0.331) 3.260 4.048 ( 2.587 -1.956 0.331) 3.260 4.573 ( -2.465 2.385 -0.136) 3.433 4.573 ( 2.465 2.385 -0.136) 3.433 4.780 ( -1.154 -0.125 1.833) 2.170 4.780 ( 1.154 -0.125 1.833) 2.170 4.840 ( -1.427 -1.465 -1.374) 2.464 4.840 ( 1.427 -1.465 -1.374) 2.464 5.629 ( -1.197 5.140 1.957) 5.629 5.629 ( 1.197 5.140 1.957) 5.629 6.714 ( -1.579 -9.855 1.138) 10.046 6.714 ( 1.579 -9.855 1.138) 10.046 7.481 ( -2.304 -3.037 0.016) 3.812 7.481 ( 2.304 -3.037 0.016) 3.812 7.672 ( -3.897 -2.052 2.092) 4.876 7.672 ( 3.897 -2.052 2.092) 4.876 7.864 ( -0.320 14.474 -4.180) 15.069 7.864 ( 0.320 14.474 -4.180) 15.069 9.375 ( -2.309 -10.379 -2.676) 10.964 9.375 ( 2.309 -10.379 -2.676) 10.964 9.712 ( -1.527 7.233 -1.107) 7.475 9.712 ( 1.527 7.233 -1.107) 7.475 10.592 ( -0.572 -6.873 0.381) 6.907 10.592 ( 0.572 -6.873 0.381) 6.907 12.186 ( -1.543 4.098 2.716) 5.153 12.186 ( 1.543 4.098 2.716) 5.153 12.592 ( -1.622 0.108 -0.259) 1.646 12.592 ( 1.622 0.108 -0.259) 1.646 13.314 ( -2.291 2.147 -2.691) 4.135 13.314 ( 2.291 2.147 -2.691) 4.135 13.496 ( -1.741 -1.809 -0.643) 2.592 13.496 ( 1.741 -1.809 -0.643) 2.592 19.554 ( -4.423 2.227 5.817) 7.640 19.554 ( 4.423 2.227 5.817) 7.640 19.986 ( -4.521 -4.524 -4.639) 7.901 19.986 ( 4.521 -4.524 -4.639) 7.901 20.250 ( -3.378 7.076 0.865) 7.889 20.250 ( 3.378 7.076 0.865) 7.889 20.773 ( -1.313 -1.164 1.429) 2.263 20.773 ( 1.313 -1.164 1.429) 2.263 22.534 ( -0.887 1.338 1.246) 2.032 22.534 ( 0.887 1.338 1.246) 2.032 22.904 ( -1.205 -4.127 -0.629) 4.345 22.904 ( 1.205 -4.127 -0.629) 4.345 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 0.000 -0.348 13.925) 13.929 1.881 ( 0.000 -8.309 20.100) 21.750 1.938 ( 0.000 4.772 17.404) 18.046 2.043 ( 0.000 2.693 -11.352) 11.667 2.252 ( 0.000 -5.413 -13.072) 14.148 2.270 ( 0.000 -6.217 -1.145) 6.322 2.371 ( 0.000 2.421 -6.311) 6.760 2.511 ( 0.000 10.982 11.649) 16.010 2.528 ( 0.000 -4.971 -4.579) 6.759 2.839 ( 0.000 12.158 -17.583) 21.377 3.172 ( 0.000 -11.811 1.719) 11.936 3.346 ( 0.000 -4.957 -10.594) 11.696 3.714 ( 0.000 2.693 5.939) 6.522 3.726 ( 0.000 3.067 4.572) 5.505 4.101 ( 0.000 -2.324 7.037) 7.411 4.114 ( 0.000 -4.659 4.370) 6.387 4.374 ( 0.000 3.241 2.168) 3.899 4.377 ( 0.000 1.690 0.956) 1.942 4.548 ( 0.000 3.236 4.600) 5.624 4.556 ( 0.000 0.206 0.974) 0.995 4.669 ( 0.000 -1.820 -5.242) 5.549 4.719 ( 0.000 1.548 -4.039) 4.326 4.904 ( 0.000 6.709 0.758) 6.752 5.003 ( 0.000 3.166 -6.381) 7.123 5.296 ( 0.000 17.150 -1.536) 17.218 5.336 ( 0.000 20.361 -5.004) 20.967 6.194 ( 0.000 -20.786 3.389) 21.060 6.278 ( 0.000 -19.962 -4.447) 20.451 7.164 ( 0.000 8.054 16.083) 17.987 7.422 ( 0.000 3.441 -6.584) 7.429 7.625 ( 0.000 -6.013 6.789) 9.069 7.780 ( 0.000 -6.583 -6.756) 9.433 8.265 ( 0.000 8.821 0.035) 8.821 8.371 ( 0.000 14.208 -10.471) 17.650 8.709 ( 0.000 -11.643 13.204) 17.604 9.063 ( 0.000 -16.377 -20.129) 25.949 9.898 ( 0.000 10.264 1.188) 10.332 9.942 ( 0.000 8.596 -3.069) 9.128 10.418 ( 0.000 -6.509 2.101) 6.839 10.452 ( 0.000 -6.880 -1.153) 6.976 11.928 ( 0.000 -0.223 2.603) 2.613 11.958 ( 0.000 -1.114 -0.052) 1.115 12.813 ( 0.000 1.920 2.943) 3.514 12.845 ( 0.000 0.398 -0.128) 0.418 13.343 ( 0.000 1.347 4.489) 4.687 13.400 ( 0.000 -1.365 -0.090) 1.368 13.640 ( 0.000 0.944 -1.578) 1.839 13.675 ( 0.000 -0.738 -4.018) 4.085 19.277 ( 0.000 4.048 3.473) 5.334 19.341 ( 0.000 0.819 -2.564) 2.692 19.880 ( 0.000 -0.141 3.454) 3.457 19.951 ( 0.000 -2.672 -3.067) 4.068 20.543 ( 0.000 14.056 14.759) 20.381 20.835 ( 0.000 10.811 -11.896) 16.074 21.181 ( 0.000 -10.497 12.271) 16.148 21.459 ( 0.000 -12.673 -12.966) 18.131 22.471 ( 0.000 -0.112 0.959) 0.965 22.476 ( 0.000 -0.613 0.382) 0.722 22.798 ( 0.000 0.965 3.512) 3.642 22.866 ( 0.000 -1.947 -2.882) 3.478 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.12 0.33 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 1.722 0.530 15.474) 15.579 1.911 ( 2.863 -5.992 19.290) 20.400 1.983 ( 4.203 2.030 14.253) 14.997 2.063 ( 2.004 3.176 -11.549) 12.144 2.237 ( -0.736 -4.268 -5.403) 6.924 2.301 ( 2.142 -5.623 -11.321) 12.821 2.384 ( 1.010 2.325 -2.093) 3.287 2.461 ( -2.448 1.947 6.538) 7.248 2.577 ( 2.484 2.850 -0.080) 3.781 2.820 ( -1.892 12.042 -16.756) 20.721 3.176 ( 0.289 -11.920 0.830) 11.953 3.337 ( -0.917 -5.549 -10.380) 11.806 3.700 ( -1.561 2.967 6.171) 7.023 3.729 ( 0.079 2.184 3.116) 3.806 4.063 ( -3.228 -2.561 6.397) 7.609 4.082 ( -3.744 -5.136 2.900) 6.987 4.280 ( -10.351 6.608 5.431) 13.428 4.339 ( -4.139 3.940 0.669) 5.753 4.470 ( 1.261 5.714 2.040) 6.197 4.569 ( -0.941 2.535 -6.978) 7.484 4.714 ( 4.101 -1.187 1.604) 4.560 4.777 ( 1.958 -3.324 0.890) 3.959 4.836 ( -4.349 5.106 -0.478) 6.724 4.959 ( -3.829 1.789 -7.395) 8.517 5.375 ( 7.995 16.231 2.190) 18.225 5.469 ( 9.730 17.270 -6.322) 20.806 6.220 ( 2.570 -19.911 3.592) 20.395 6.309 ( 2.842 -18.922 -4.661) 19.694 7.202 ( 3.705 6.998 14.939) 16.908 7.432 ( 0.891 1.906 -4.795) 5.237 7.620 ( -0.424 -4.807 5.447) 7.277 7.762 ( -1.752 -6.176 -6.460) 9.108 8.245 ( -1.597 10.784 0.722) 10.925 8.356 ( -1.502 15.213 -10.268) 18.416 8.767 ( 5.158 -13.015 10.889) 17.735 9.078 ( 1.338 -16.701 -18.364) 24.859 9.896 ( -0.107 10.612 1.151) 10.675 9.939 ( -0.281 9.105 -2.952) 9.576 10.411 ( -0.627 -7.342 2.010) 7.638 10.444 ( -0.690 -7.690 -1.206) 7.814 11.965 ( 3.661 0.538 2.973) 4.747 12.001 ( 4.204 -0.543 -0.347) 4.254 12.786 ( -2.673 1.810 3.181) 4.532 12.822 ( -2.285 0.284 -0.317) 2.324 13.339 ( -0.409 1.430 4.191) 4.447 13.397 ( -0.200 -1.378 -0.502) 1.480 13.615 ( -2.540 0.980 -1.817) 3.273 13.646 ( -2.676 -0.699 -3.842) 4.734 19.308 ( 3.081 4.140 3.835) 6.430 19.381 ( 3.855 0.727 -2.992) 4.934 19.874 ( -0.574 -0.435 3.599) 3.670 19.947 ( -0.378 -3.004 -3.111) 4.341 20.512 ( -2.899 13.565 13.885) 19.627 20.786 ( -4.727 10.208 -11.114) 15.814 21.119 ( -6.009 -9.620 10.915) 15.741 21.361 ( -9.351 -11.185 -10.921) 18.216 22.460 ( 0.028 1.149 2.173) 2.458 22.493 ( 0.983 0.041 -0.996) 1.400 22.810 ( 0.875 -0.626 3.134) 3.314 22.872 ( 0.319 -2.908 -2.594) 3.910 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.25 0.33 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 4.760 2.234 15.985) 16.827 1.989 ( 4.733 -3.446 16.249) 17.272 2.081 ( 4.681 0.097 9.203) 10.326 2.122 ( 4.101 3.519 -10.589) 11.889 2.229 ( 0.064 -1.963 -3.409) 3.934 2.332 ( -0.222 -3.769 -4.162) 5.619 2.391 ( 0.349 2.192 -3.039) 3.763 2.447 ( 0.966 -2.859 2.810) 4.123 2.618 ( 1.686 4.403 -1.761) 5.033 2.769 ( -2.978 11.475 -14.581) 18.792 3.181 ( 0.119 -11.875 -1.309) 11.948 3.309 ( -1.950 -7.032 -9.954) 12.342 3.640 ( -4.756 4.587 6.523) 9.284 3.703 ( -4.043 1.826 -0.115) 4.437 3.952 ( -7.100 -4.462 2.975) 8.898 3.989 ( -4.504 -5.577 0.772) 7.210 4.113 ( -4.140 13.579 9.637) 17.158 4.255 ( -3.444 10.375 -3.483) 11.473 4.521 ( 3.043 3.389 1.922) 4.943 4.593 ( 2.157 1.865 -4.642) 5.448 4.719 ( -3.360 -1.494 7.490) 8.344 4.779 ( 1.567 -2.798 2.091) 3.828 4.824 ( 0.326 -0.719 -2.814) 2.923 4.877 ( -3.976 -1.825 -6.247) 7.626 5.558 ( 9.432 13.751 3.841) 17.112 5.658 ( 8.478 14.709 -5.290) 17.782 6.292 ( 4.432 -17.868 3.622) 18.763 6.378 ( 3.721 -17.015 -4.346) 17.951 7.299 ( 5.597 4.296 11.557) 13.541 7.451 ( 0.862 -0.591 -0.923) 1.395 7.609 ( -0.789 -2.647 2.667) 3.839 7.714 ( -2.877 -5.020 -5.367) 7.892 8.217 ( -0.963 14.540 0.590) 14.584 8.316 ( -2.361 17.533 -9.160) 19.922 8.886 ( 6.244 -15.511 6.426) 17.913 9.105 ( 1.011 -17.362 -14.096) 22.386 9.895 ( 0.054 11.246 0.972) 11.288 9.932 ( -0.464 10.123 -2.487) 10.434 10.399 ( -0.437 -9.096 1.634) 9.252 10.428 ( -0.817 -9.331 -1.170) 9.440 12.067 ( 6.304 2.372 3.590) 7.633 12.113 ( 6.653 1.073 -0.699) 6.775 12.711 ( -4.717 1.296 3.604) 6.076 12.755 ( -4.389 -0.184 -0.637) 4.438 13.331 ( -0.266 1.731 3.135) 3.591 13.394 ( -0.032 -1.282 -1.805) 2.214 13.545 ( -4.237 1.105 -1.694) 4.695 13.580 ( -3.728 -0.901 -3.609) 5.266 19.396 ( 5.555 4.390 4.633) 8.462 19.487 ( 6.469 0.707 -3.930) 7.602 19.858 ( -1.102 -1.369 4.139) 4.496 19.938 ( -0.548 -4.059 -3.342) 5.286 20.442 ( -3.562 12.298 11.280) 17.064 20.663 ( -7.067 9.242 -9.097) 14.769 20.960 ( -9.293 -7.581 7.931) 14.378 21.121 ( -13.666 -7.769 -6.502) 17.012 22.482 ( 2.122 2.280 2.298) 3.871 22.521 ( 1.909 1.301 -1.356) 2.679 22.818 ( -0.345 -2.985 2.477) 3.894 22.867 ( -1.013 -4.492 -2.039) 5.036 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.38 0.33 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 6.457 4.031 13.442) 15.448 2.086 ( 3.697 0.595 8.771) 9.537 2.129 ( 0.772 0.951 5.919) 6.044 2.217 ( 3.531 0.161 -0.244) 3.543 2.253 ( 2.698 -1.458 -0.692) 3.144 2.306 ( -0.579 -0.779 0.812) 1.265 2.402 ( -0.187 -1.888 -3.873) 4.313 2.457 ( -0.760 -2.392 -3.499) 4.306 2.648 ( 1.466 5.544 -4.310) 7.174 2.714 ( -2.342 9.516 -10.753) 14.548 3.182 ( 0.297 -11.277 -4.001) 11.970 3.260 ( -2.841 -9.055 -9.386) 13.348 3.529 ( -5.262 7.760 4.683) 10.480 3.565 ( -7.498 7.186 0.797) 10.416 3.874 ( -1.245 -6.144 2.011) 6.584 3.913 ( -2.808 -7.348 -1.277) 7.969 4.099 ( 1.617 13.306 6.856) 15.055 4.198 ( -2.576 12.392 -3.115) 13.035 4.579 ( 2.714 0.720 2.412) 3.701 4.626 ( 0.928 0.892 -1.957) 2.342 4.683 ( -0.087 -3.854 6.613) 7.654 4.780 ( -3.395 -2.409 -0.965) 4.273 4.805 ( 0.323 -2.933 -0.433) 2.983 4.834 ( -0.830 -1.935 -1.541) 2.609 5.723 ( 6.659 12.451 3.175) 14.473 5.785 ( 3.966 12.993 -2.491) 13.811 6.383 ( 4.254 -16.111 2.674) 16.876 6.439 ( 1.968 -15.788 -2.474) 16.101 7.404 ( 4.363 1.612 6.163) 7.721 7.469 ( 0.957 -0.280 0.371) 1.064 7.587 ( -1.024 -2.540 2.475) 3.691 7.656 ( -2.794 -4.296 -2.719) 5.801 8.210 ( 0.245 17.956 -1.196) 17.997 8.267 ( -2.367 19.704 -6.870) 21.001 8.999 ( 4.895 -17.354 1.438) 18.089 9.110 ( -0.649 -17.917 -8.946) 20.037 9.900 ( 0.388 11.519 0.484) 11.535 9.921 ( -0.568 10.890 -1.565) 11.017 10.396 ( 0.140 -10.475 0.920) 10.517 10.414 ( -0.641 -10.576 -0.756) 10.622 12.202 ( 6.849 4.750 3.868) 9.188 12.248 ( 6.186 3.908 -0.337) 7.325 12.609 ( -4.923 -0.489 3.467) 6.041 12.653 ( -5.530 -1.376 -0.673) 5.738 13.335 ( 0.802 2.222 1.082) 2.598 13.396 ( -0.124 -0.016 -4.310) 4.312 13.463 ( -3.205 0.204 0.303) 3.226 13.507 ( -3.345 -1.486 -3.250) 4.895 19.518 ( 6.330 4.668 5.110) 9.380 19.612 ( 4.915 2.132 -3.418) 6.355 19.837 ( -0.423 -3.622 3.796) 5.264 19.921 ( -1.447 -5.625 -3.731) 6.904 20.395 ( -0.640 10.565 6.900) 12.634 20.526 ( -6.250 9.082 -5.555) 12.345 20.784 ( -7.185 -5.500 4.798) 10.242 20.863 ( -11.159 -4.704 -2.318) 12.330 22.536 ( 2.971 2.793 1.875) 4.488 22.564 ( 2.068 2.422 -0.686) 3.258 22.799 ( -1.165 -4.892 1.505) 5.250 22.832 ( -2.282 -5.572 -1.397) 6.181 ======================= Grid point 274 (95/100) ======================= q-point: (-0.50 0.33 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -5.279 5.745 8.451) 11.502 2.042 ( 5.279 5.745 8.451) 11.502 2.201 ( -3.735 -4.226 7.922) 9.725 2.201 ( 3.735 -4.226 7.922) 9.725 2.311 ( -1.444 1.370 -1.760) 2.657 2.311 ( 1.444 1.370 -1.760) 2.657 2.413 ( -2.563 -2.146 -4.857) 5.896 2.413 ( 2.563 -2.146 -4.857) 5.896 2.677 ( -1.490 6.739 -6.972) 9.811 2.677 ( 1.490 6.739 -6.972) 9.811 3.206 ( -2.213 -10.597 -7.241) 13.024 3.206 ( 2.213 -10.597 -7.241) 13.024 3.477 ( -0.776 9.808 2.498) 10.151 3.477 ( 0.776 9.808 2.498) 10.151 3.875 ( -1.088 -7.682 0.109) 7.759 3.875 ( 1.088 -7.682 0.109) 7.759 4.146 ( -2.673 12.530 1.356) 12.884 4.146 ( 2.673 12.530 1.356) 12.884 4.622 ( -1.384 -0.281 0.924) 1.688 4.622 ( 1.384 -0.281 0.924) 1.688 4.712 ( -2.797 -3.796 2.469) 5.322 4.712 ( 2.797 -3.796 2.469) 5.322 4.817 ( -0.793 -1.786 -0.447) 2.004 4.817 ( 0.793 -1.786 -0.447) 2.004 5.809 ( -1.670 12.222 0.768) 12.359 5.809 ( 1.670 12.222 0.768) 12.359 6.444 ( -1.564 -15.487 0.403) 15.571 6.444 ( 1.564 -15.487 0.403) 15.571 7.464 ( -1.831 1.132 0.979) 2.365 7.464 ( 1.831 1.132 0.979) 2.365 7.602 ( -2.472 -4.193 1.733) 5.167 7.602 ( 2.472 -4.193 1.733) 5.167 8.228 ( -1.505 20.021 -3.955) 20.463 8.228 ( 1.505 20.021 -3.955) 20.463 9.076 ( -2.774 -18.060 -3.726) 18.648 9.076 ( 2.774 -18.060 -3.726) 18.648 9.910 ( -0.585 11.331 -0.426) 11.354 9.910 ( 0.585 11.331 -0.426) 11.354 10.403 ( -0.480 -10.963 0.030) 10.974 10.403 ( 0.480 -10.963 0.030) 10.974 12.305 ( -1.906 7.080 2.443) 7.728 12.305 ( 1.906 7.080 2.443) 7.728 12.564 ( -1.875 -3.248 0.831) 3.841 12.564 ( 1.875 -3.248 0.831) 3.841 13.366 ( -2.224 2.553 -2.130) 4.000 13.366 ( 2.224 2.553 -2.130) 4.000 13.454 ( -1.776 -2.042 -1.444) 3.067 13.454 ( 1.776 -2.042 -1.444) 3.067 19.625 ( -3.518 4.604 3.042) 6.545 19.625 ( 3.518 4.604 3.042) 6.545 19.871 ( -3.256 -6.301 -2.164) 7.415 19.871 ( 3.256 -6.301 -2.164) 7.415 20.426 ( -3.597 9.298 0.764) 9.999 20.426 ( 3.597 9.298 0.764) 9.999 20.723 ( -1.975 -3.920 1.190) 4.548 20.723 ( 1.975 -3.920 1.190) 4.548 22.580 ( -0.906 3.264 0.865) 3.495 22.580 ( 0.906 3.264 0.865) 3.495 22.793 ( -1.008 -6.135 -0.216) 6.221 22.793 ( 1.008 -6.135 -0.216) 6.221 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.000 -3.598 19.248) 19.581 1.752 ( 0.000 3.598 19.248) 19.581 2.051 ( 0.000 -4.616 11.124) 12.043 2.051 ( 0.000 4.616 11.124) 12.043 2.164 ( 0.000 -1.169 -10.892) 10.954 2.164 ( 0.000 1.169 -10.892) 10.954 2.428 ( 0.000 -3.893 -7.691) 8.620 2.428 ( 0.000 3.893 -7.691) 8.620 2.847 ( 0.000 -17.842 5.033) 18.538 2.847 ( 0.000 17.842 5.033) 18.538 3.133 ( 0.000 -14.129 -17.405) 22.418 3.133 ( 0.000 14.129 -17.405) 22.418 3.772 ( 0.000 -0.380 3.058) 3.082 3.772 ( 0.000 0.380 3.058) 3.082 4.057 ( 0.000 -0.178 6.039) 6.042 4.057 ( 0.000 0.178 6.039) 6.042 4.407 ( 0.000 -0.485 3.562) 3.595 4.407 ( 0.000 0.485 3.562) 3.595 4.556 ( 0.000 -0.841 -1.038) 1.336 4.556 ( 0.000 0.841 -1.038) 1.336 4.696 ( 0.000 -2.714 2.328) 3.576 4.696 ( 0.000 2.714 2.328) 3.576 5.018 ( 0.000 -2.450 -5.277) 5.818 5.018 ( 0.000 2.450 -5.277) 5.818 5.683 ( 0.000 -11.682 0.336) 11.686 5.683 ( 0.000 11.682 0.336) 11.686 5.853 ( 0.000 -12.590 -3.258) 13.005 5.853 ( 0.000 12.590 -3.258) 13.005 7.348 ( 0.000 -8.907 12.008) 14.951 7.348 ( 0.000 8.907 12.008) 14.951 7.641 ( 0.000 -6.130 -6.292) 8.784 7.641 ( 0.000 6.130 -6.292) 8.784 8.472 ( 0.000 -10.931 6.070) 12.503 8.472 ( 0.000 10.931 6.070) 12.503 8.707 ( 0.000 -17.432 -16.043) 23.691 8.707 ( 0.000 17.432 -16.043) 23.691 10.043 ( 0.000 -1.517 -0.608) 1.634 10.043 ( 0.000 1.517 -0.608) 1.634 10.341 ( 0.000 -1.467 0.324) 1.502 10.341 ( 0.000 1.467 0.324) 1.502 11.935 ( 0.000 -0.866 1.510) 1.741 11.935 ( 0.000 0.866 1.510) 1.741 12.843 ( 0.000 -0.776 1.348) 1.555 12.843 ( 0.000 0.776 1.348) 1.555 13.371 ( 0.000 -1.357 1.777) 2.236 13.371 ( 0.000 1.357 1.777) 2.236 13.658 ( 0.000 -0.815 -2.384) 2.519 13.658 ( 0.000 0.815 -2.384) 2.519 19.337 ( 0.000 -1.503 0.812) 1.708 19.337 ( 0.000 1.503 0.812) 1.708 19.901 ( 0.000 -1.958 -0.581) 2.043 19.901 ( 0.000 1.958 -0.581) 2.043 20.834 ( 0.000 -12.775 13.063) 18.272 20.834 ( 0.000 12.775 13.063) 18.272 21.182 ( 0.000 -12.531 -11.744) 17.175 21.182 ( 0.000 12.531 -11.744) 17.175 22.470 ( 0.000 -0.084 0.755) 0.760 22.470 ( 0.000 0.084 0.755) 0.760 22.826 ( 0.000 -1.750 0.297) 1.775 22.826 ( 0.000 1.750 0.297) 1.775 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.12 -0.50 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 3.219 -4.285 19.371) 20.099 1.785 ( 3.219 4.285 19.371) 20.099 2.070 ( 1.898 -4.286 8.803) 9.973 2.070 ( 1.898 4.286 8.803) 9.973 2.189 ( 2.253 -3.314 -11.503) 12.181 2.189 ( 2.253 3.314 -11.503) 12.181 2.423 ( -0.454 -2.798 -4.199) 5.066 2.423 ( -0.454 2.798 -4.199) 5.066 2.853 ( 0.525 -17.299 3.177) 17.596 2.853 ( 0.525 17.299 3.177) 17.596 3.116 ( -1.759 -14.284 -16.966) 22.248 3.116 ( -1.759 14.284 -16.966) 22.248 3.765 ( -0.655 -0.802 2.650) 2.845 3.765 ( -0.655 0.802 2.650) 2.845 4.013 ( -4.644 -0.176 5.023) 6.843 4.013 ( -4.644 0.176 5.023) 6.843 4.371 ( -2.548 -1.374 4.546) 5.389 4.371 ( -2.548 1.374 4.546) 5.389 4.574 ( 1.437 -2.750 -1.348) 3.383 4.574 ( 1.437 2.750 -1.348) 3.383 4.707 ( 0.848 -1.962 3.531) 4.127 4.707 ( 0.848 1.962 3.531) 4.127 4.943 ( -6.297 -3.640 -5.680) 9.228 4.943 ( -6.297 3.640 -5.680) 9.228 5.754 ( 6.240 -14.891 1.834) 16.249 5.754 ( 6.240 14.891 1.834) 16.249 5.904 ( 4.671 -14.706 -4.313) 16.021 5.904 ( 4.671 14.706 -4.313) 16.021 7.360 ( 1.191 -7.525 10.896) 13.295 7.360 ( 1.191 7.525 10.896) 13.295 7.637 ( -0.435 -5.225 -5.496) 7.596 7.637 ( -0.435 5.225 -5.496) 7.596 8.492 ( 1.962 -12.787 5.300) 13.980 8.492 ( 1.962 12.787 5.300) 13.980 8.711 ( 0.336 -18.081 -14.974) 23.479 8.711 ( 0.336 18.081 -14.974) 23.479 10.052 ( 0.949 -1.638 -0.586) 1.982 10.052 ( 0.949 1.638 -0.586) 1.982 10.317 ( -2.195 -1.595 0.238) 2.724 10.317 ( -2.195 1.595 0.238) 2.724 11.983 ( 4.687 -1.067 1.541) 5.048 11.983 ( 4.687 1.067 1.541) 5.048 12.816 ( -2.659 -0.949 1.436) 3.168 12.816 ( -2.659 0.949 1.436) 3.168 13.368 ( -0.264 -1.415 1.466) 2.054 13.368 ( -0.264 1.415 1.466) 2.054 13.632 ( -2.557 -0.724 -2.500) 3.649 13.632 ( -2.557 0.724 -2.500) 3.649 19.372 ( 3.488 -1.772 0.772) 3.988 19.372 ( 3.488 1.772 0.772) 3.988 19.892 ( -0.833 -2.016 -0.552) 2.250 19.892 ( -0.833 2.016 -0.552) 2.250 20.789 ( -4.281 -11.852 11.868) 17.310 20.789 ( -4.281 11.852 11.868) 17.310 21.115 ( -6.512 -11.158 -10.308) 16.528 21.115 ( -6.512 11.158 -10.308) 16.528 22.483 ( 1.352 -0.951 0.609) 1.762 22.483 ( 1.352 0.951 0.609) 1.762 22.821 ( -0.616 -1.683 0.350) 1.826 22.821 ( -0.616 1.683 0.350) 1.826 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.25 -0.50 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 5.692 -4.915 18.644) 20.103 1.876 ( 5.692 4.915 18.644) 20.103 2.123 ( 3.147 -2.938 5.378) 6.889 2.123 ( 3.147 2.938 5.378) 6.889 2.240 ( 2.569 -4.104 -12.521) 13.425 2.240 ( 2.569 4.104 -12.521) 13.425 2.414 ( -0.395 -0.646 2.159) 2.288 2.414 ( -0.395 0.646 2.159) 2.288 2.867 ( 0.837 -16.030 -1.085) 16.089 2.867 ( 0.837 16.030 -1.085) 16.089 3.065 ( -3.238 -14.566 -15.502) 21.517 3.065 ( -3.238 14.566 -15.502) 21.517 3.745 ( -1.433 -2.497 2.171) 3.606 3.745 ( -1.433 2.497 2.171) 3.606 3.878 ( -8.067 -1.956 2.902) 8.793 3.878 ( -8.067 1.956 2.902) 8.793 4.343 ( 0.096 -4.995 5.752) 7.618 4.343 ( 0.096 4.995 5.752) 7.618 4.588 ( -0.930 -3.011 -1.495) 3.488 4.588 ( -0.930 3.011 -1.495) 3.488 4.715 ( -0.088 -2.417 4.616) 5.211 4.715 ( -0.088 2.417 4.616) 5.211 4.827 ( -4.076 -1.848 -5.159) 6.830 4.827 ( -4.076 1.848 -5.159) 6.830 5.897 ( 7.504 -16.677 3.415) 18.604 5.897 ( 7.504 16.677 3.415) 18.604 6.012 ( 5.520 -16.147 -4.813) 17.730 6.012 ( 5.520 16.147 -4.813) 17.730 7.394 ( 2.257 -4.488 8.139) 9.565 7.394 ( 2.257 4.488 8.139) 9.565 7.620 ( -1.366 -3.418 -3.598) 5.147 7.620 ( -1.366 3.418 -3.598) 5.147 8.543 ( 2.973 -16.107 3.075) 16.665 8.543 ( 2.973 16.107 3.075) 16.665 8.715 ( -0.145 -19.256 -12.028) 22.704 8.715 ( -0.145 19.256 -12.028) 22.704 10.079 ( 1.672 -1.967 -0.505) 2.631 10.079 ( 1.672 1.967 -0.505) 2.631 10.263 ( -2.978 -1.941 0.046) 3.555 10.263 ( -2.978 1.941 0.046) 3.555 12.110 ( 7.772 -1.390 1.631) 8.062 12.110 ( 7.772 1.390 1.631) 8.062 12.738 ( -5.132 -1.281 1.647) 5.540 12.738 ( -5.132 1.281 1.647) 5.540 13.365 ( 0.027 -1.547 0.582) 1.653 13.365 ( 0.027 1.547 0.582) 1.653 13.564 ( -4.040 -0.749 -2.694) 4.913 13.564 ( -4.040 0.749 -2.694) 4.913 19.471 ( 6.234 -2.424 0.664) 6.722 19.471 ( 6.234 2.424 0.664) 6.722 19.868 ( -1.646 -2.296 -0.432) 2.858 19.868 ( -1.646 2.296 -0.432) 2.858 20.684 ( -5.635 -9.668 8.918) 14.309 20.684 ( -5.635 9.668 8.918) 14.309 20.943 ( -10.131 -8.228 -6.959) 14.791 20.943 ( -10.131 8.228 -6.959) 14.791 22.524 ( 2.746 -1.282 0.379) 3.054 22.524 ( 2.746 1.282 0.379) 3.054 22.797 ( -1.885 -1.509 0.424) 2.451 22.797 ( -1.885 1.509 0.424) 2.451 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.38 -0.50 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 6.453 -4.359 15.684) 17.511 2.000 ( 6.453 4.359 15.684) 17.511 2.168 ( 0.184 -2.209 4.149) 4.704 2.168 ( 0.184 2.209 4.149) 4.704 2.292 ( 3.121 -2.012 -6.483) 7.471 2.292 ( 3.121 2.012 -6.483) 7.471 2.405 ( -0.783 -1.964 0.787) 2.256 2.405 ( -0.783 1.964 0.787) 2.256 2.886 ( 1.209 -14.820 -5.378) 15.812 2.886 ( 1.209 14.820 -5.378) 15.812 2.992 ( -3.868 -14.624 -12.862) 19.856 2.992 ( -3.868 14.624 -12.862) 19.856 3.705 ( -2.354 -8.030 2.808) 8.826 3.705 ( -2.354 8.030 2.808) 8.826 3.740 ( -4.883 -8.019 0.799) 9.423 3.740 ( -4.883 8.019 0.799) 9.423 4.372 ( 2.555 -7.566 4.384) 9.110 4.372 ( 2.555 7.566 4.384) 9.110 4.524 ( -4.523 -6.361 -0.942) 7.861 4.524 ( -4.523 6.361 -0.942) 7.861 4.725 ( 1.206 -4.343 2.358) 5.087 4.725 ( 1.206 4.343 2.358) 5.087 4.782 ( -1.384 -2.470 -0.985) 2.998 4.782 ( -1.384 2.470 -0.985) 2.998 6.033 ( 5.697 -16.233 2.722) 17.418 6.033 ( 5.697 16.233 2.722) 17.418 6.099 ( 2.723 -15.958 -2.851) 16.438 6.099 ( 2.723 15.958 -2.851) 16.438 7.449 ( 3.167 -2.181 4.775) 6.131 7.449 ( 3.167 2.181 4.775) 6.131 7.580 ( -2.694 -2.371 -1.234) 3.796 7.580 ( -2.694 2.371 -1.234) 3.796 8.605 ( 3.085 -18.569 -0.199) 18.824 8.605 ( 3.085 18.569 -0.199) 18.824 8.700 ( -1.342 -19.917 -8.072) 21.532 8.700 ( -1.342 19.917 -8.072) 21.532 10.116 ( 2.013 -2.364 -0.367) 3.127 10.116 ( 2.013 2.364 -0.367) 3.127 10.206 ( -2.648 -2.351 -0.127) 3.544 10.206 ( -2.648 2.351 -0.127) 3.544 12.279 ( 8.944 -1.594 1.761) 9.255 12.279 ( 8.944 1.594 1.761) 9.255 12.615 ( -7.198 -1.541 1.832) 7.586 12.615 ( -7.198 1.541 1.832) 7.586 13.375 ( 1.130 -1.629 -0.670) 2.093 13.375 ( 1.130 1.629 -0.670) 2.093 13.481 ( -3.992 -1.137 -2.586) 4.890 13.481 ( -3.992 1.137 -2.586) 4.890 19.608 ( 7.191 -3.175 0.514) 7.878 19.608 ( 7.191 3.175 0.514) 7.878 19.823 ( -3.038 -2.952 -0.136) 4.238 19.823 ( -3.038 2.952 -0.136) 4.238 20.595 ( -2.578 -7.227 5.174) 9.255 20.595 ( -2.578 7.227 5.174) 9.255 20.742 ( -9.278 -5.870 -3.104) 11.410 20.742 ( -9.278 5.870 -3.104) 11.410 22.590 ( 3.814 -1.252 0.287) 4.024 22.590 ( 3.814 1.252 0.287) 4.024 22.745 ( -3.304 -1.318 0.411) 3.581 22.745 ( -3.304 1.318 0.411) 3.581 ======================= Grid point 287 (100/100) ======================= q-point: (-0.50 -0.50 0.44) 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 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -4.755 -3.175 10.122) 11.626 2.116 ( 4.108 -2.940 10.122) 11.313 2.116 ( -4.108 2.940 10.122) 11.313 2.116 ( 4.755 3.175 10.122) 11.626 2.365 ( -2.942 -2.510 -3.005) 4.897 2.365 ( 0.035 -2.034 -3.005) 3.628 2.365 ( -0.035 2.034 -3.005) 3.628 2.365 ( 2.942 2.510 -3.005) 4.897 2.923 ( -2.655 -14.968 -9.291) 17.816 2.923 ( 2.621 -14.966 -9.291) 17.810 2.923 ( -2.621 14.966 -9.291) 17.810 2.923 ( 2.655 14.968 -9.291) 17.816 3.684 ( -0.851 -10.067 1.533) 10.219 3.684 ( 0.843 -10.067 1.533) 10.218 3.684 ( -0.843 10.067 1.533) 10.218 3.684 ( 0.851 10.067 1.533) 10.219 4.438 ( -2.705 -13.559 1.323) 13.890 4.438 ( 1.973 -13.528 1.323) 13.735 4.438 ( -1.973 13.528 1.323) 13.735 4.438 ( 2.705 13.559 1.323) 13.890 4.754 ( -1.407 -3.936 1.157) 4.337 4.754 ( 1.316 -3.928 1.157) 4.302 4.754 ( -1.316 3.928 1.157) 4.302 4.754 ( 1.407 3.936 1.157) 4.337 6.109 ( -1.722 -16.191 0.235) 16.284 6.109 ( 1.714 -16.190 0.235) 16.283 6.109 ( -1.714 16.190 0.235) 16.283 6.109 ( 1.722 16.191 0.235) 16.284 7.517 ( -2.705 -3.511 1.538) 4.692 7.517 ( 0.370 -3.245 1.538) 3.611 7.517 ( -0.370 3.245 1.538) 3.611 7.517 ( 2.705 3.511 1.538) 4.692 8.661 ( -2.327 -21.358 -4.004) 21.854 8.661 ( 2.284 -21.357 -4.004) 21.848 8.661 ( -2.284 21.357 -4.004) 21.848 8.661 ( 2.327 21.358 -4.004) 21.854 10.158 ( -0.642 -12.304 -0.241) 12.323 10.158 ( 0.262 -12.301 -0.241) 12.306 10.158 ( -0.262 12.301 -0.241) 12.306 10.158 ( 0.642 12.304 -0.241) 12.323 12.456 ( -5.708 -6.094 1.864) 8.555 12.456 ( -3.167 -5.612 1.864) 6.708 12.456 ( 3.167 5.612 1.864) 6.708 12.456 ( 5.708 6.094 1.864) 8.555 13.413 ( -2.468 -1.949 -1.875) 3.662 13.413 ( 0.274 -1.515 -1.875) 2.426 13.413 ( -0.274 1.515 -1.875) 2.426 13.413 ( 2.468 1.949 -1.875) 3.662 19.739 ( -4.290 -5.973 0.267) 7.359 19.739 ( 0.762 -5.588 0.267) 5.646 19.739 ( -0.762 5.588 0.267) 5.646 19.739 ( 4.290 5.973 0.267) 7.359 20.605 ( -3.191 -7.430 0.994) 8.147 20.605 ( 2.214 -7.341 0.994) 7.731 20.605 ( -2.214 7.341 0.994) 7.731 20.605 ( 3.191 7.430 0.994) 8.147 22.670 ( -2.135 -5.122 0.330) 5.559 22.670 ( -0.616 -5.019 0.330) 5.068 22.670 ( 0.616 5.019 0.330) 5.068 22.670 ( 2.135 5.122 0.330) 5.559 =================== 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 3/25920 10.0 479.375 369.481 426.882 0.000 0.000 0.000 3/25920 20.0 129.200 119.955 140.984 0.000 0.000 0.000 3/25920 30.0 57.875 57.932 71.852 0.000 0.000 0.000 3/25920 40.0 33.633 36.323 45.885 0.000 0.000 0.000 3/25920 50.0 22.845 25.994 32.875 0.000 0.000 0.000 3/25920 60.0 17.041 20.034 25.181 0.000 0.000 0.000 3/25920 70.0 13.491 16.203 20.183 0.000 0.000 0.000 3/25920 80.0 11.123 13.561 16.728 0.000 0.000 0.000 3/25920 90.0 9.442 11.644 14.228 0.000 0.000 0.000 3/25920 100.0 8.193 10.196 12.351 0.000 0.000 0.000 3/25920 110.0 7.233 9.068 10.899 0.000 0.000 0.000 3/25920 120.0 6.473 8.167 9.747 0.000 0.000 0.000 3/25920 130.0 5.859 7.431 8.814 0.000 0.000 0.000 3/25920 140.0 5.353 6.820 8.045 0.000 0.000 0.000 3/25920 150.0 4.930 6.304 7.400 0.000 0.000 0.000 3/25920 160.0 4.571 5.864 6.853 0.000 0.000 0.000 3/25920 170.0 4.262 5.483 6.382 0.000 0.000 0.000 3/25920 180.0 3.995 5.151 5.974 0.000 0.000 0.000 3/25920 190.0 3.761 4.858 5.616 0.000 0.000 0.000 3/25920 200.0 3.555 4.599 5.301 0.000 0.000 0.000 3/25920 210.0 3.371 4.367 5.019 0.000 0.000 0.000 3/25920 220.0 3.207 4.158 4.768 0.000 0.000 0.000 3/25920 230.0 3.059 3.969 4.541 0.000 0.000 0.000 3/25920 240.0 2.925 3.798 4.336 0.000 0.000 0.000 3/25920 250.0 2.803 3.641 4.149 0.000 0.000 0.000 3/25920 260.0 2.692 3.498 3.978 0.000 0.000 0.000 3/25920 270.0 2.589 3.365 3.821 0.000 0.000 0.000 3/25920 280.0 2.495 3.243 3.676 0.000 0.000 0.000 3/25920 290.0 2.407 3.130 3.543 0.000 0.000 0.000 3/25920 300.0 2.326 3.024 3.419 0.000 0.000 0.000 3/25920 310.0 2.250 2.926 3.303 0.000 0.000 0.000 3/25920 320.0 2.180 2.834 3.196 0.000 0.000 0.000 3/25920 330.0 2.114 2.748 3.095 0.000 0.000 0.000 3/25920 340.0 2.052 2.667 3.001 0.000 0.000 0.000 3/25920 350.0 1.993 2.591 2.912 0.000 0.000 0.000 3/25920 360.0 1.938 2.519 2.829 0.000 0.000 0.000 3/25920 370.0 1.886 2.451 2.750 0.000 0.000 0.000 3/25920 380.0 1.837 2.387 2.676 0.000 0.000 0.000 3/25920 390.0 1.790 2.326 2.606 0.000 0.000 0.000 3/25920 400.0 1.746 2.268 2.539 0.000 0.000 0.000 3/25920 410.0 1.704 2.213 2.476 0.000 0.000 0.000 3/25920 420.0 1.664 2.161 2.416 0.000 0.000 0.000 3/25920 430.0 1.626 2.111 2.359 0.000 0.000 0.000 3/25920 440.0 1.590 2.064 2.304 0.000 0.000 0.000 3/25920 450.0 1.555 2.018 2.252 0.000 0.000 0.000 3/25920 460.0 1.522 1.975 2.202 0.000 0.000 0.000 3/25920 470.0 1.490 1.933 2.155 0.000 0.000 0.000 3/25920 480.0 1.459 1.893 2.109 0.000 0.000 0.000 3/25920 490.0 1.430 1.855 2.066 0.000 0.000 0.000 3/25920 500.0 1.402 1.818 2.024 0.000 0.000 0.000 3/25920 510.0 1.375 1.783 1.984 0.000 0.000 0.000 3/25920 520.0 1.349 1.749 1.945 0.000 0.000 0.000 3/25920 530.0 1.324 1.716 1.908 0.000 0.000 0.000 3/25920 540.0 1.300 1.685 1.873 0.000 0.000 0.000 3/25920 550.0 1.276 1.654 1.838 0.000 0.000 0.000 3/25920 560.0 1.254 1.625 1.805 0.000 0.000 0.000 3/25920 570.0 1.232 1.597 1.773 0.000 0.000 0.000 3/25920 580.0 1.211 1.570 1.743 0.000 0.000 0.000 3/25920 590.0 1.191 1.543 1.713 0.000 0.000 0.000 3/25920 600.0 1.172 1.518 1.684 0.000 0.000 0.000 3/25920 610.0 1.153 1.493 1.656 0.000 0.000 0.000 3/25920 620.0 1.135 1.469 1.630 0.000 0.000 0.000 3/25920 630.0 1.117 1.446 1.604 0.000 0.000 0.000 3/25920 640.0 1.100 1.424 1.578 0.000 0.000 0.000 3/25920 650.0 1.083 1.402 1.554 0.000 0.000 0.000 3/25920 660.0 1.067 1.381 1.530 0.000 0.000 0.000 3/25920 670.0 1.051 1.361 1.507 0.000 0.000 0.000 3/25920 680.0 1.036 1.341 1.485 0.000 0.000 0.000 3/25920 690.0 1.021 1.322 1.464 0.000 0.000 0.000 3/25920 700.0 1.007 1.303 1.443 0.000 0.000 0.000 3/25920 710.0 0.993 1.285 1.422 0.000 0.000 0.000 3/25920 720.0 0.979 1.267 1.402 0.000 0.000 0.000 3/25920 730.0 0.966 1.250 1.383 0.000 0.000 0.000 3/25920 740.0 0.953 1.233 1.364 0.000 0.000 0.000 3/25920 750.0 0.940 1.217 1.346 0.000 0.000 0.000 3/25920 760.0 0.928 1.201 1.328 0.000 0.000 0.000 3/25920 770.0 0.916 1.185 1.311 0.000 0.000 0.000 3/25920 780.0 0.905 1.170 1.294 0.000 0.000 0.000 3/25920 790.0 0.893 1.156 1.278 0.000 0.000 0.000 3/25920 800.0 0.882 1.141 1.262 0.000 0.000 0.000 3/25920 810.0 0.872 1.127 1.246 0.000 0.000 0.000 3/25920 820.0 0.861 1.114 1.231 0.000 0.000 0.000 3/25920 830.0 0.851 1.100 1.216 0.000 0.000 0.000 3/25920 840.0 0.841 1.087 1.202 0.000 0.000 0.000 3/25920 850.0 0.831 1.075 1.188 0.000 0.000 0.000 3/25920 860.0 0.822 1.062 1.174 0.000 0.000 0.000 3/25920 870.0 0.812 1.050 1.160 0.000 0.000 0.000 3/25920 880.0 0.803 1.038 1.147 0.000 0.000 0.000 3/25920 890.0 0.794 1.027 1.134 0.000 0.000 0.000 3/25920 900.0 0.785 1.015 1.122 0.000 0.000 0.000 3/25920 910.0 0.777 1.004 1.109 0.000 0.000 0.000 3/25920 920.0 0.769 0.994 1.097 0.000 0.000 0.000 3/25920 930.0 0.760 0.983 1.085 0.000 0.000 0.000 3/25920 940.0 0.752 0.973 1.074 0.000 0.000 0.000 3/25920 950.0 0.745 0.962 1.062 0.000 0.000 0.000 3/25920 960.0 0.737 0.952 1.051 0.000 0.000 0.000 3/25920 970.0 0.729 0.943 1.041 0.000 0.000 0.000 3/25920 980.0 0.722 0.933 1.030 0.000 0.000 0.000 3/25920 990.0 0.715 0.924 1.020 0.000 0.000 0.000 3/25920 1000.0 0.708 0.915 1.009 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m869.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:16:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|