----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:15:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.669045655000000 2.669045655000000 5.666990515000000 b 2.669045655000000 -2.669045655000000 5.666990515000000 c 2.669045655000000 2.669045655000000 -5.666990515000000 Atomic positions (fractional): *1 O 0.64544304124190 0.55206422979910 0.37273788275066 15.999 2 O 0.02270515849124 0.89544304124190 0.59337881144280 15.999 3 O 0.30206422979910 0.42932634704844 0.40662118855720 15.999 4 O 0.17932634704844 0.27270515849124 0.62726211724934 15.999 5 O 0.57067365295156 0.97729484150876 0.87273788275066 15.999 6 O 0.44793577020090 0.82067365295156 0.09337881144280 15.999 7 O 0.72729484150876 0.35455695875810 0.90662118855720 15.999 8 O 0.10455695875810 0.69793577020090 0.12726211724934 15.999 *9 Ag 0.75000000000000 0.25000000000000 0.50000000000000 107.868 10 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 *11 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 12 Re 0.25000000000000 0.75000000000000 0.50000000000000 186.207 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.338091310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.338091310000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.333981030000000 Atomic positions (fractional): *1 O 0.13967953565393 0.23305834709673 0.41238469414517 15.999 > 1 2 O 0.73305834709673 0.86032046434607 0.16238469414517 15.999 > 2 3 O 0.26694165290327 0.13967953565393 0.16238469414517 15.999 > 3 4 O 0.86032046434607 0.76694165290327 0.41238469414517 15.999 > 4 5 O 0.63967953565393 0.23305834709673 0.33761530585483 15.999 > 5 6 O 0.73305834709673 0.36032046434607 0.08761530585483 15.999 > 6 7 O 0.26694165290327 0.63967953565393 0.08761530585483 15.999 > 7 8 O 0.36032046434607 0.76694165290327 0.33761530585483 15.999 > 8 9 O 0.63967953565393 0.73305834709673 0.91238469414517 15.999 > 1 10 O 0.23305834709673 0.36032046434607 0.66238469414517 15.999 > 2 11 O 0.76694165290327 0.63967953565393 0.66238469414517 15.999 > 3 12 O 0.36032046434607 0.26694165290327 0.91238469414517 15.999 > 4 13 O 0.13967953565393 0.73305834709673 0.83761530585483 15.999 > 5 14 O 0.23305834709673 0.86032046434607 0.58761530585483 15.999 > 6 15 O 0.76694165290327 0.13967953565393 0.58761530585483 15.999 > 7 16 O 0.86032046434607 0.26694165290327 0.83761530585483 15.999 > 8 *17 Ag 0.00000000000000 0.50000000000000 0.25000000000000 107.868 > 9 18 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 10 19 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 9 20 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 10 *21 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 > 11 22 Re 0.50000000000000 0.00000000000000 0.25000000000000 186.207 > 12 23 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 11 24 Re 0.00000000000000 0.50000000000000 0.75000000000000 186.207 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.676182620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.676182620000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.333981030000000 Atomic positions (fractional): *1 O 0.06983976782696 0.11652917354836 0.41238469414517 15.999 > 1 2 O 0.56983976782696 0.11652917354836 0.41238469414517 15.999 > 1 3 O 0.06983976782696 0.61652917354836 0.41238469414517 15.999 > 1 4 O 0.56983976782696 0.61652917354836 0.41238469414517 15.999 > 1 5 O 0.36652917354836 0.43016023217304 0.16238469414517 15.999 > 2 6 O 0.86652917354836 0.43016023217304 0.16238469414517 15.999 > 2 7 O 0.36652917354836 0.93016023217304 0.16238469414517 15.999 > 2 8 O 0.86652917354836 0.93016023217304 0.16238469414517 15.999 > 2 9 O 0.13347082645164 0.06983976782696 0.16238469414517 15.999 > 3 10 O 0.63347082645164 0.06983976782696 0.16238469414517 15.999 > 3 11 O 0.13347082645164 0.56983976782696 0.16238469414517 15.999 > 3 12 O 0.63347082645164 0.56983976782696 0.16238469414517 15.999 > 3 13 O 0.43016023217304 0.38347082645164 0.41238469414517 15.999 > 4 14 O 0.93016023217304 0.38347082645164 0.41238469414517 15.999 > 4 15 O 0.43016023217304 0.88347082645164 0.41238469414517 15.999 > 4 16 O 0.93016023217304 0.88347082645164 0.41238469414517 15.999 > 4 17 O 0.31983976782696 0.11652917354836 0.33761530585483 15.999 > 5 18 O 0.81983976782696 0.11652917354836 0.33761530585483 15.999 > 5 19 O 0.31983976782696 0.61652917354836 0.33761530585483 15.999 > 5 20 O 0.81983976782696 0.61652917354836 0.33761530585483 15.999 > 5 21 O 0.36652917354836 0.18016023217304 0.08761530585483 15.999 > 6 22 O 0.86652917354836 0.18016023217304 0.08761530585483 15.999 > 6 23 O 0.36652917354836 0.68016023217304 0.08761530585483 15.999 > 6 24 O 0.86652917354836 0.68016023217304 0.08761530585483 15.999 > 6 25 O 0.13347082645164 0.31983976782696 0.08761530585483 15.999 > 7 26 O 0.63347082645164 0.31983976782696 0.08761530585483 15.999 > 7 27 O 0.13347082645164 0.81983976782696 0.08761530585483 15.999 > 7 28 O 0.63347082645164 0.81983976782696 0.08761530585483 15.999 > 7 29 O 0.18016023217304 0.38347082645164 0.33761530585483 15.999 > 8 30 O 0.68016023217304 0.38347082645164 0.33761530585483 15.999 > 8 31 O 0.18016023217304 0.88347082645164 0.33761530585483 15.999 > 8 32 O 0.68016023217304 0.88347082645164 0.33761530585483 15.999 > 8 33 O 0.31983976782696 0.36652917354836 0.91238469414517 15.999 > 1 34 O 0.81983976782696 0.36652917354836 0.91238469414517 15.999 > 1 35 O 0.31983976782696 0.86652917354836 0.91238469414517 15.999 > 1 36 O 0.81983976782696 0.86652917354836 0.91238469414517 15.999 > 1 37 O 0.11652917354836 0.18016023217304 0.66238469414517 15.999 > 2 38 O 0.61652917354836 0.18016023217304 0.66238469414517 15.999 > 2 39 O 0.11652917354836 0.68016023217304 0.66238469414517 15.999 > 2 40 O 0.61652917354836 0.68016023217304 0.66238469414517 15.999 > 2 41 O 0.38347082645164 0.31983976782696 0.66238469414517 15.999 > 3 42 O 0.88347082645164 0.31983976782696 0.66238469414517 15.999 > 3 43 O 0.38347082645164 0.81983976782696 0.66238469414517 15.999 > 3 44 O 0.88347082645164 0.81983976782696 0.66238469414517 15.999 > 3 45 O 0.18016023217304 0.13347082645164 0.91238469414517 15.999 > 4 46 O 0.68016023217304 0.13347082645164 0.91238469414517 15.999 > 4 47 O 0.18016023217304 0.63347082645164 0.91238469414517 15.999 > 4 48 O 0.68016023217304 0.63347082645164 0.91238469414517 15.999 > 4 49 O 0.06983976782696 0.36652917354836 0.83761530585483 15.999 > 5 50 O 0.56983976782696 0.36652917354836 0.83761530585483 15.999 > 5 51 O 0.06983976782696 0.86652917354836 0.83761530585483 15.999 > 5 52 O 0.56983976782696 0.86652917354836 0.83761530585483 15.999 > 5 53 O 0.11652917354836 0.43016023217304 0.58761530585483 15.999 > 6 54 O 0.61652917354836 0.43016023217304 0.58761530585483 15.999 > 6 55 O 0.11652917354836 0.93016023217304 0.58761530585483 15.999 > 6 56 O 0.61652917354836 0.93016023217304 0.58761530585483 15.999 > 6 57 O 0.38347082645164 0.06983976782696 0.58761530585483 15.999 > 7 58 O 0.88347082645164 0.06983976782696 0.58761530585483 15.999 > 7 59 O 0.38347082645164 0.56983976782696 0.58761530585483 15.999 > 7 60 O 0.88347082645164 0.56983976782696 0.58761530585483 15.999 > 7 61 O 0.43016023217304 0.13347082645164 0.83761530585483 15.999 > 8 62 O 0.93016023217304 0.13347082645164 0.83761530585483 15.999 > 8 63 O 0.43016023217304 0.63347082645164 0.83761530585483 15.999 > 8 64 O 0.93016023217304 0.63347082645164 0.83761530585483 15.999 > 8 *65 Ag 0.00000000000000 0.25000000000000 0.25000000000000 107.868 > 9 66 Ag 0.50000000000000 0.25000000000000 0.25000000000000 107.868 > 9 67 Ag 0.00000000000000 0.75000000000000 0.25000000000000 107.868 > 9 68 Ag 0.50000000000000 0.75000000000000 0.25000000000000 107.868 > 9 69 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 10 70 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 10 71 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 10 72 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 10 73 Ag 0.25000000000000 0.00000000000000 0.75000000000000 107.868 > 9 74 Ag 0.75000000000000 0.00000000000000 0.75000000000000 107.868 > 9 75 Ag 0.25000000000000 0.50000000000000 0.75000000000000 107.868 > 9 76 Ag 0.75000000000000 0.50000000000000 0.75000000000000 107.868 > 9 77 Ag 0.25000000000000 0.25000000000000 0.50000000000000 107.868 > 10 78 Ag 0.75000000000000 0.25000000000000 0.50000000000000 107.868 > 10 79 Ag 0.25000000000000 0.75000000000000 0.50000000000000 107.868 > 10 80 Ag 0.75000000000000 0.75000000000000 0.50000000000000 107.868 > 10 *81 Re 0.25000000000000 0.25000000000000 0.00000000000000 186.207 > 11 82 Re 0.75000000000000 0.25000000000000 0.00000000000000 186.207 > 11 83 Re 0.25000000000000 0.75000000000000 0.00000000000000 186.207 > 11 84 Re 0.75000000000000 0.75000000000000 0.00000000000000 186.207 > 11 85 Re 0.25000000000000 0.00000000000000 0.25000000000000 186.207 > 12 86 Re 0.75000000000000 0.00000000000000 0.25000000000000 186.207 > 12 87 Re 0.25000000000000 0.50000000000000 0.25000000000000 186.207 > 12 88 Re 0.75000000000000 0.50000000000000 0.25000000000000 186.207 > 12 89 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 11 90 Re 0.50000000000000 0.00000000000000 0.50000000000000 186.207 > 11 91 Re 0.00000000000000 0.50000000000000 0.50000000000000 186.207 > 11 92 Re 0.50000000000000 0.50000000000000 0.50000000000000 186.207 > 11 93 Re 0.00000000000000 0.25000000000000 0.75000000000000 186.207 > 12 94 Re 0.50000000000000 0.25000000000000 0.75000000000000 186.207 > 12 95 Re 0.00000000000000 0.75000000000000 0.75000000000000 186.207 > 12 96 Re 0.50000000000000 0.75000000000000 0.75000000000000 186.207 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2942760 0.0000080 0.0000000 -0.0000080 5.2942760 0.0000000 0.0000000 0.0000000 5.2812958 -------------------------- Born effective charges -------------------------- 1 O -1.1172961 -0.6379120 0.7506193 -0.6642603 -1.5835686 0.7586933 0.6726655 0.7538597 -1.4635399 2 O -1.5835686 0.6642603 0.7586933 0.6379120 -1.1172961 -0.7506193 0.7538597 -0.6726655 -1.4635399 3 O -1.5835686 0.6642603 -0.7586933 0.6379120 -1.1172961 0.7506193 -0.7538597 0.6726655 -1.4635399 4 O -1.1172961 -0.6379120 -0.7506193 -0.6642603 -1.5835686 -0.7586933 -0.6726655 -0.7538597 -1.4635399 5 O -1.1172961 -0.6379120 -0.7506193 -0.6642603 -1.5835686 -0.7586933 -0.6726655 -0.7538597 -1.4635399 6 O -1.5835686 0.6642603 -0.7586933 0.6379120 -1.1172961 0.7506193 -0.7538597 0.6726655 -1.4635399 7 O -1.5835686 0.6642603 0.7586933 0.6379120 -1.1172961 -0.7506193 0.7538597 -0.6726655 -1.4635399 8 O -1.1172961 -0.6379120 0.7506193 -0.6642603 -1.5835686 0.7586933 0.6726655 0.7538597 -1.4635399 9 Ag 1.4345859 0.1071870 0.0000000 -0.1071870 1.4345859 0.0000000 -0.0000000 0.0000000 1.3033923 10 Ag 1.4345859 0.1071870 0.0000000 -0.1071870 1.4345859 0.0000000 -0.0000000 0.0000000 1.3033923 11 Re 3.9671435 -0.1598835 0.0000000 0.1598835 3.9671435 0.0000000 -0.0000000 0.0000000 4.5507672 12 Re 3.9671435 -0.1598835 0.0000000 0.1598835 3.9671435 0.0000000 -0.0000000 0.0000000 4.5507672 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.014 Solver_block: 100 / 240 - Time: 0.665 Solver_block: 200 / 240 - Time: 0.654 Solver_block: 240 / 240 - Time: 0.351 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.806 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:15:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:15:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.669045655000000 2.669045655000000 5.666990515000000 b 2.669045655000000 -2.669045655000000 5.666990515000000 c 2.669045655000000 2.669045655000000 -5.666990515000000 Atomic positions (fractional): 1 O 0.64544304124190 0.55206422979910 0.37273788275066 15.999 2 O 0.02270515849124 0.89544304124190 0.59337881144280 15.999 3 O 0.30206422979910 0.42932634704844 0.40662118855720 15.999 4 O 0.17932634704844 0.27270515849124 0.62726211724934 15.999 5 O 0.57067365295156 0.97729484150876 0.87273788275066 15.999 6 O 0.44793577020090 0.82067365295156 0.09337881144280 15.999 7 O 0.72729484150876 0.35455695875810 0.90662118855720 15.999 8 O 0.10455695875810 0.69793577020090 0.12726211724934 15.999 9 Ag 0.75000000000000 0.25000000000000 0.50000000000000 107.868 10 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 11 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 12 Re 0.25000000000000 0.75000000000000 0.50000000000000 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.676182620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.676182620000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.333981030000000 Atomic positions (fractional): 1 O 0.06983976782696 0.11652917354836 0.41238469414517 15.999 > 1 2 O 0.56983976782696 0.11652917354836 0.41238469414517 15.999 > 1 3 O 0.06983976782696 0.61652917354836 0.41238469414517 15.999 > 1 4 O 0.56983976782696 0.61652917354836 0.41238469414517 15.999 > 1 5 O 0.36652917354836 0.43016023217304 0.16238469414517 15.999 > 5 6 O 0.86652917354836 0.43016023217304 0.16238469414517 15.999 > 5 7 O 0.36652917354836 0.93016023217304 0.16238469414517 15.999 > 5 8 O 0.86652917354836 0.93016023217304 0.16238469414517 15.999 > 5 9 O 0.13347082645164 0.06983976782696 0.16238469414517 15.999 > 9 10 O 0.63347082645164 0.06983976782696 0.16238469414517 15.999 > 9 11 O 0.13347082645164 0.56983976782696 0.16238469414517 15.999 > 9 12 O 0.63347082645164 0.56983976782696 0.16238469414517 15.999 > 9 13 O 0.43016023217304 0.38347082645164 0.41238469414517 15.999 > 13 14 O 0.93016023217304 0.38347082645164 0.41238469414517 15.999 > 13 15 O 0.43016023217304 0.88347082645164 0.41238469414517 15.999 > 13 16 O 0.93016023217304 0.88347082645164 0.41238469414517 15.999 > 13 17 O 0.31983976782696 0.11652917354836 0.33761530585483 15.999 > 17 18 O 0.81983976782696 0.11652917354836 0.33761530585483 15.999 > 17 19 O 0.31983976782696 0.61652917354836 0.33761530585483 15.999 > 17 20 O 0.81983976782696 0.61652917354836 0.33761530585483 15.999 > 17 21 O 0.36652917354836 0.18016023217304 0.08761530585483 15.999 > 21 22 O 0.86652917354836 0.18016023217304 0.08761530585483 15.999 > 21 23 O 0.36652917354836 0.68016023217304 0.08761530585483 15.999 > 21 24 O 0.86652917354836 0.68016023217304 0.08761530585483 15.999 > 21 25 O 0.13347082645164 0.31983976782696 0.08761530585483 15.999 > 25 26 O 0.63347082645164 0.31983976782696 0.08761530585483 15.999 > 25 27 O 0.13347082645164 0.81983976782696 0.08761530585483 15.999 > 25 28 O 0.63347082645164 0.81983976782696 0.08761530585483 15.999 > 25 29 O 0.18016023217304 0.38347082645164 0.33761530585483 15.999 > 29 30 O 0.68016023217304 0.38347082645164 0.33761530585483 15.999 > 29 31 O 0.18016023217304 0.88347082645164 0.33761530585483 15.999 > 29 32 O 0.68016023217304 0.88347082645164 0.33761530585483 15.999 > 29 33 O 0.31983976782696 0.36652917354836 0.91238469414517 15.999 > 1 34 O 0.81983976782696 0.36652917354836 0.91238469414517 15.999 > 1 35 O 0.31983976782696 0.86652917354836 0.91238469414517 15.999 > 1 36 O 0.81983976782696 0.86652917354836 0.91238469414517 15.999 > 1 37 O 0.11652917354836 0.18016023217304 0.66238469414517 15.999 > 5 38 O 0.61652917354836 0.18016023217304 0.66238469414517 15.999 > 5 39 O 0.11652917354836 0.68016023217304 0.66238469414517 15.999 > 5 40 O 0.61652917354836 0.68016023217304 0.66238469414517 15.999 > 5 41 O 0.38347082645164 0.31983976782696 0.66238469414517 15.999 > 9 42 O 0.88347082645164 0.31983976782696 0.66238469414517 15.999 > 9 43 O 0.38347082645164 0.81983976782696 0.66238469414517 15.999 > 9 44 O 0.88347082645164 0.81983976782696 0.66238469414517 15.999 > 9 45 O 0.18016023217304 0.13347082645164 0.91238469414517 15.999 > 13 46 O 0.68016023217304 0.13347082645164 0.91238469414517 15.999 > 13 47 O 0.18016023217304 0.63347082645164 0.91238469414517 15.999 > 13 48 O 0.68016023217304 0.63347082645164 0.91238469414517 15.999 > 13 49 O 0.06983976782696 0.36652917354836 0.83761530585483 15.999 > 17 50 O 0.56983976782696 0.36652917354836 0.83761530585483 15.999 > 17 51 O 0.06983976782696 0.86652917354836 0.83761530585483 15.999 > 17 52 O 0.56983976782696 0.86652917354836 0.83761530585483 15.999 > 17 53 O 0.11652917354836 0.43016023217304 0.58761530585483 15.999 > 21 54 O 0.61652917354836 0.43016023217304 0.58761530585483 15.999 > 21 55 O 0.11652917354836 0.93016023217304 0.58761530585483 15.999 > 21 56 O 0.61652917354836 0.93016023217304 0.58761530585483 15.999 > 21 57 O 0.38347082645164 0.06983976782696 0.58761530585483 15.999 > 25 58 O 0.88347082645164 0.06983976782696 0.58761530585483 15.999 > 25 59 O 0.38347082645164 0.56983976782696 0.58761530585483 15.999 > 25 60 O 0.88347082645164 0.56983976782696 0.58761530585483 15.999 > 25 61 O 0.43016023217304 0.13347082645164 0.83761530585483 15.999 > 29 62 O 0.93016023217304 0.13347082645164 0.83761530585483 15.999 > 29 63 O 0.43016023217304 0.63347082645164 0.83761530585483 15.999 > 29 64 O 0.93016023217304 0.63347082645164 0.83761530585483 15.999 > 29 65 Ag 0.00000000000000 0.25000000000000 0.25000000000000 107.868 > 65 66 Ag 0.50000000000000 0.25000000000000 0.25000000000000 107.868 > 65 67 Ag 0.00000000000000 0.75000000000000 0.25000000000000 107.868 > 65 68 Ag 0.50000000000000 0.75000000000000 0.25000000000000 107.868 > 65 69 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 69 70 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 69 71 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 69 72 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 69 73 Ag 0.25000000000000 0.00000000000000 0.75000000000000 107.868 > 65 74 Ag 0.75000000000000 0.00000000000000 0.75000000000000 107.868 > 65 75 Ag 0.25000000000000 0.50000000000000 0.75000000000000 107.868 > 65 76 Ag 0.75000000000000 0.50000000000000 0.75000000000000 107.868 > 65 77 Ag 0.25000000000000 0.25000000000000 0.50000000000000 107.868 > 69 78 Ag 0.75000000000000 0.25000000000000 0.50000000000000 107.868 > 69 79 Ag 0.25000000000000 0.75000000000000 0.50000000000000 107.868 > 69 80 Ag 0.75000000000000 0.75000000000000 0.50000000000000 107.868 > 69 81 Re 0.25000000000000 0.25000000000000 0.00000000000000 186.207 > 81 82 Re 0.75000000000000 0.25000000000000 0.00000000000000 186.207 > 81 83 Re 0.25000000000000 0.75000000000000 0.00000000000000 186.207 > 81 84 Re 0.75000000000000 0.75000000000000 0.00000000000000 186.207 > 81 85 Re 0.25000000000000 0.00000000000000 0.25000000000000 186.207 > 85 86 Re 0.75000000000000 0.00000000000000 0.25000000000000 186.207 > 85 87 Re 0.25000000000000 0.50000000000000 0.25000000000000 186.207 > 85 88 Re 0.75000000000000 0.50000000000000 0.25000000000000 186.207 > 85 89 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 81 90 Re 0.50000000000000 0.00000000000000 0.50000000000000 186.207 > 81 91 Re 0.00000000000000 0.50000000000000 0.50000000000000 186.207 > 81 92 Re 0.50000000000000 0.50000000000000 0.50000000000000 186.207 > 81 93 Re 0.00000000000000 0.25000000000000 0.75000000000000 186.207 > 85 94 Re 0.50000000000000 0.25000000000000 0.75000000000000 186.207 > 85 95 Re 0.00000000000000 0.75000000000000 0.75000000000000 186.207 > 85 96 Re 0.50000000000000 0.75000000000000 0.75000000000000 186.207 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2942760 0.0000080 0.0000000 -0.0000080 5.2942760 0.0000000 0.0000000 0.0000000 5.2812958 -------------------------- Born effective charges -------------------------- 1 O -1.1172961 -0.6379120 0.7506193 -0.6642603 -1.5835686 0.7586933 0.6726655 0.7538597 -1.4635399 2 O -1.5835686 0.6642603 0.7586933 0.6379120 -1.1172961 -0.7506193 0.7538597 -0.6726655 -1.4635399 3 O -1.5835686 0.6642603 -0.7586933 0.6379120 -1.1172961 0.7506193 -0.7538597 0.6726655 -1.4635399 4 O -1.1172961 -0.6379120 -0.7506193 -0.6642603 -1.5835686 -0.7586933 -0.6726655 -0.7538597 -1.4635399 5 O -1.1172961 -0.6379120 -0.7506193 -0.6642603 -1.5835686 -0.7586933 -0.6726655 -0.7538597 -1.4635399 6 O -1.5835686 0.6642603 -0.7586933 0.6379120 -1.1172961 0.7506193 -0.7538597 0.6726655 -1.4635399 7 O -1.5835686 0.6642603 0.7586933 0.6379120 -1.1172961 -0.7506193 0.7538597 -0.6726655 -1.4635399 8 O -1.1172961 -0.6379120 0.7506193 -0.6642603 -1.5835686 0.7586933 0.6726655 0.7538597 -1.4635399 9 Ag 1.4345859 0.1071870 0.0000000 -0.1071870 1.4345859 0.0000000 -0.0000000 0.0000000 1.3033923 10 Ag 1.4345859 0.1071870 0.0000000 -0.1071870 1.4345859 0.0000000 -0.0000000 0.0000000 1.3033923 11 Re 3.9671435 -0.1598835 0.0000000 0.1598835 3.9671435 0.0000000 -0.0000000 0.0000000 4.5507672 12 Re 3.9671435 -0.1598835 0.0000000 0.1598835 3.9671435 0.0000000 -0.0000000 0.0000000 4.5507672 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: -0.00000005 (xzy) -0.00000005 (xzy) -0.00000005 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (yx) 0.00000005 (yx) 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 22:15:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:15:42]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.669045655000000 2.669045655000000 5.666990515000000 b 2.669045655000000 -2.669045655000000 5.666990515000000 c 2.669045655000000 2.669045655000000 -5.666990515000000 Atomic positions (fractional): 1 O 0.64544304124190 0.55206422979910 0.37273788275066 15.999 2 O 0.02270515849124 0.89544304124190 0.59337881144280 15.999 3 O 0.30206422979910 0.42932634704844 0.40662118855720 15.999 4 O 0.17932634704844 0.27270515849124 0.62726211724934 15.999 5 O 0.57067365295156 0.97729484150876 0.87273788275066 15.999 6 O 0.44793577020090 0.82067365295156 0.09337881144280 15.999 7 O 0.72729484150876 0.35455695875810 0.90662118855720 15.999 8 O 0.10455695875810 0.69793577020090 0.12726211724934 15.999 9 Ag 0.75000000000000 0.25000000000000 0.50000000000000 107.868 10 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 11 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 12 Re 0.25000000000000 0.75000000000000 0.50000000000000 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.676182620000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.676182620000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.333981030000000 Atomic positions (fractional): 1 O 0.06983976782696 0.11652917354836 0.41238469414517 15.999 > 1 2 O 0.56983976782696 0.11652917354836 0.41238469414517 15.999 > 1 3 O 0.06983976782696 0.61652917354836 0.41238469414517 15.999 > 1 4 O 0.56983976782696 0.61652917354836 0.41238469414517 15.999 > 1 5 O 0.36652917354836 0.43016023217304 0.16238469414517 15.999 > 5 6 O 0.86652917354836 0.43016023217304 0.16238469414517 15.999 > 5 7 O 0.36652917354836 0.93016023217304 0.16238469414517 15.999 > 5 8 O 0.86652917354836 0.93016023217304 0.16238469414517 15.999 > 5 9 O 0.13347082645164 0.06983976782696 0.16238469414517 15.999 > 9 10 O 0.63347082645164 0.06983976782696 0.16238469414517 15.999 > 9 11 O 0.13347082645164 0.56983976782696 0.16238469414517 15.999 > 9 12 O 0.63347082645164 0.56983976782696 0.16238469414517 15.999 > 9 13 O 0.43016023217304 0.38347082645164 0.41238469414517 15.999 > 13 14 O 0.93016023217304 0.38347082645164 0.41238469414517 15.999 > 13 15 O 0.43016023217304 0.88347082645164 0.41238469414517 15.999 > 13 16 O 0.93016023217304 0.88347082645164 0.41238469414517 15.999 > 13 17 O 0.31983976782696 0.11652917354836 0.33761530585483 15.999 > 17 18 O 0.81983976782696 0.11652917354836 0.33761530585483 15.999 > 17 19 O 0.31983976782696 0.61652917354836 0.33761530585483 15.999 > 17 20 O 0.81983976782696 0.61652917354836 0.33761530585483 15.999 > 17 21 O 0.36652917354836 0.18016023217304 0.08761530585483 15.999 > 21 22 O 0.86652917354836 0.18016023217304 0.08761530585483 15.999 > 21 23 O 0.36652917354836 0.68016023217304 0.08761530585483 15.999 > 21 24 O 0.86652917354836 0.68016023217304 0.08761530585483 15.999 > 21 25 O 0.13347082645164 0.31983976782696 0.08761530585483 15.999 > 25 26 O 0.63347082645164 0.31983976782696 0.08761530585483 15.999 > 25 27 O 0.13347082645164 0.81983976782696 0.08761530585483 15.999 > 25 28 O 0.63347082645164 0.81983976782696 0.08761530585483 15.999 > 25 29 O 0.18016023217304 0.38347082645164 0.33761530585483 15.999 > 29 30 O 0.68016023217304 0.38347082645164 0.33761530585483 15.999 > 29 31 O 0.18016023217304 0.88347082645164 0.33761530585483 15.999 > 29 32 O 0.68016023217304 0.88347082645164 0.33761530585483 15.999 > 29 33 O 0.31983976782696 0.36652917354836 0.91238469414517 15.999 > 1 34 O 0.81983976782696 0.36652917354836 0.91238469414517 15.999 > 1 35 O 0.31983976782696 0.86652917354836 0.91238469414517 15.999 > 1 36 O 0.81983976782696 0.86652917354836 0.91238469414517 15.999 > 1 37 O 0.11652917354836 0.18016023217304 0.66238469414517 15.999 > 5 38 O 0.61652917354836 0.18016023217304 0.66238469414517 15.999 > 5 39 O 0.11652917354836 0.68016023217304 0.66238469414517 15.999 > 5 40 O 0.61652917354836 0.68016023217304 0.66238469414517 15.999 > 5 41 O 0.38347082645164 0.31983976782696 0.66238469414517 15.999 > 9 42 O 0.88347082645164 0.31983976782696 0.66238469414517 15.999 > 9 43 O 0.38347082645164 0.81983976782696 0.66238469414517 15.999 > 9 44 O 0.88347082645164 0.81983976782696 0.66238469414517 15.999 > 9 45 O 0.18016023217304 0.13347082645164 0.91238469414517 15.999 > 13 46 O 0.68016023217304 0.13347082645164 0.91238469414517 15.999 > 13 47 O 0.18016023217304 0.63347082645164 0.91238469414517 15.999 > 13 48 O 0.68016023217304 0.63347082645164 0.91238469414517 15.999 > 13 49 O 0.06983976782696 0.36652917354836 0.83761530585483 15.999 > 17 50 O 0.56983976782696 0.36652917354836 0.83761530585483 15.999 > 17 51 O 0.06983976782696 0.86652917354836 0.83761530585483 15.999 > 17 52 O 0.56983976782696 0.86652917354836 0.83761530585483 15.999 > 17 53 O 0.11652917354836 0.43016023217304 0.58761530585483 15.999 > 21 54 O 0.61652917354836 0.43016023217304 0.58761530585483 15.999 > 21 55 O 0.11652917354836 0.93016023217304 0.58761530585483 15.999 > 21 56 O 0.61652917354836 0.93016023217304 0.58761530585483 15.999 > 21 57 O 0.38347082645164 0.06983976782696 0.58761530585483 15.999 > 25 58 O 0.88347082645164 0.06983976782696 0.58761530585483 15.999 > 25 59 O 0.38347082645164 0.56983976782696 0.58761530585483 15.999 > 25 60 O 0.88347082645164 0.56983976782696 0.58761530585483 15.999 > 25 61 O 0.43016023217304 0.13347082645164 0.83761530585483 15.999 > 29 62 O 0.93016023217304 0.13347082645164 0.83761530585483 15.999 > 29 63 O 0.43016023217304 0.63347082645164 0.83761530585483 15.999 > 29 64 O 0.93016023217304 0.63347082645164 0.83761530585483 15.999 > 29 65 Ag 0.00000000000000 0.25000000000000 0.25000000000000 107.868 > 65 66 Ag 0.50000000000000 0.25000000000000 0.25000000000000 107.868 > 65 67 Ag 0.00000000000000 0.75000000000000 0.25000000000000 107.868 > 65 68 Ag 0.50000000000000 0.75000000000000 0.25000000000000 107.868 > 65 69 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 69 70 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 69 71 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 69 72 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 69 73 Ag 0.25000000000000 0.00000000000000 0.75000000000000 107.868 > 65 74 Ag 0.75000000000000 0.00000000000000 0.75000000000000 107.868 > 65 75 Ag 0.25000000000000 0.50000000000000 0.75000000000000 107.868 > 65 76 Ag 0.75000000000000 0.50000000000000 0.75000000000000 107.868 > 65 77 Ag 0.25000000000000 0.25000000000000 0.50000000000000 107.868 > 69 78 Ag 0.75000000000000 0.25000000000000 0.50000000000000 107.868 > 69 79 Ag 0.25000000000000 0.75000000000000 0.50000000000000 107.868 > 69 80 Ag 0.75000000000000 0.75000000000000 0.50000000000000 107.868 > 69 81 Re 0.25000000000000 0.25000000000000 0.00000000000000 186.207 > 81 82 Re 0.75000000000000 0.25000000000000 0.00000000000000 186.207 > 81 83 Re 0.25000000000000 0.75000000000000 0.00000000000000 186.207 > 81 84 Re 0.75000000000000 0.75000000000000 0.00000000000000 186.207 > 81 85 Re 0.25000000000000 0.00000000000000 0.25000000000000 186.207 > 85 86 Re 0.75000000000000 0.00000000000000 0.25000000000000 186.207 > 85 87 Re 0.25000000000000 0.50000000000000 0.25000000000000 186.207 > 85 88 Re 0.75000000000000 0.50000000000000 0.25000000000000 186.207 > 85 89 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 81 90 Re 0.50000000000000 0.00000000000000 0.50000000000000 186.207 > 81 91 Re 0.00000000000000 0.50000000000000 0.50000000000000 186.207 > 81 92 Re 0.50000000000000 0.50000000000000 0.50000000000000 186.207 > 81 93 Re 0.00000000000000 0.25000000000000 0.75000000000000 186.207 > 85 94 Re 0.50000000000000 0.25000000000000 0.75000000000000 186.207 > 85 95 Re 0.00000000000000 0.75000000000000 0.75000000000000 186.207 > 85 96 Re 0.50000000000000 0.75000000000000 0.75000000000000 186.207 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2942760 0.0000080 0.0000000 -0.0000080 5.2942760 0.0000000 0.0000000 0.0000000 5.2812958 -------------------------- Born effective charges -------------------------- 1 O -1.1172961 -0.6379120 0.7506193 -0.6642603 -1.5835686 0.7586933 0.6726655 0.7538597 -1.4635399 2 O -1.5835686 0.6642603 0.7586933 0.6379120 -1.1172961 -0.7506193 0.7538597 -0.6726655 -1.4635399 3 O -1.5835686 0.6642603 -0.7586933 0.6379120 -1.1172961 0.7506193 -0.7538597 0.6726655 -1.4635399 4 O -1.1172961 -0.6379120 -0.7506193 -0.6642603 -1.5835686 -0.7586933 -0.6726655 -0.7538597 -1.4635399 5 O -1.1172961 -0.6379120 -0.7506193 -0.6642603 -1.5835686 -0.7586933 -0.6726655 -0.7538597 -1.4635399 6 O -1.5835686 0.6642603 -0.7586933 0.6379120 -1.1172961 0.7506193 -0.7538597 0.6726655 -1.4635399 7 O -1.5835686 0.6642603 0.7586933 0.6379120 -1.1172961 -0.7506193 0.7538597 -0.6726655 -1.4635399 8 O -1.1172961 -0.6379120 0.7506193 -0.6642603 -1.5835686 0.7586933 0.6726655 0.7538597 -1.4635399 9 Ag 1.4345859 0.1071870 0.0000000 -0.1071870 1.4345859 0.0000000 -0.0000000 0.0000000 1.3033923 10 Ag 1.4345859 0.1071870 0.0000000 -0.1071870 1.4345859 0.0000000 -0.0000000 0.0000000 1.3033923 11 Re 3.9671435 -0.1598835 0.0000000 0.1598835 3.9671435 0.0000000 -0.0000000 0.0000000 4.5507672 12 Re 3.9671435 -0.1598835 0.0000000 0.1598835 3.9671435 0.0000000 -0.0000000 0.0000000 4.5507672 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (xzy) -0.00000005 (xzy) -0.00000005 (xyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 9 72 ] Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 4 4 0 ] 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: 0.76, Number of G-points: 297, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 105 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 1.920 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 -0.000 0.000) 0.000 2.037 ( 0.000 -0.000 -0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 -0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 -0.000 -0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 -0.000) 0.000 3.152 ( 0.000 -0.000 0.000) 0.000 4.722 ( 0.000 -0.000 0.000) 0.000 5.941 ( -0.000 0.000 0.000) 0.000 5.941 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 -0.000) 0.000 7.099 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 -0.000 0.000) 0.000 8.612 ( 0.000 -0.000 0.000) 0.000 9.193 ( 0.000 0.000 0.000) 0.000 10.798 ( 0.000 0.000 -0.000) 0.000 10.857 ( 0.000 0.000 -0.000) 0.000 10.859 ( 0.000 0.000 -0.000) 0.000 10.859 ( 0.000 0.000 -0.000) 0.000 11.236 ( 0.000 0.000 0.000) 0.000 25.355 ( 0.000 0.000 0.000) 0.000 25.536 ( 0.000 0.000 0.000) 0.000 25.536 ( 0.000 0.000 0.000) 0.000 25.710 ( 0.000 0.000 0.000) 0.000 25.710 ( 0.000 -0.000 -0.000) 0.000 26.583 ( 0.000 -0.000 -0.000) 0.000 27.493 ( 0.000 0.000 0.000) 0.000 27.703 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.332 ( 7.969 8.665 0.000) 11.772 0.485 ( 11.791 11.269 0.000) 16.310 0.824 ( 19.075 18.933 0.000) 26.876 1.860 ( 0.072 -4.596 -0.000) 4.596 2.026 ( -0.066 -0.980 -0.000) 0.982 2.061 ( 0.416 1.357 0.000) 1.419 2.437 ( 0.142 7.950 0.000) 7.952 2.456 ( -3.815 -6.730 -0.000) 7.736 2.525 ( -5.555 -2.336 -0.000) 6.026 2.551 ( -1.202 -1.807 -0.000) 2.170 2.882 ( 1.359 -10.398 -0.000) 10.486 2.907 ( 4.114 4.068 0.000) 5.786 3.280 ( 0.312 12.596 0.000) 12.600 3.502 ( 5.953 3.538 0.000) 6.925 4.828 ( 5.006 4.078 0.000) 6.457 5.748 ( -3.671 -11.850 -0.000) 12.406 5.941 ( -4.030 3.464 -0.000) 5.314 6.457 ( -5.976 -4.089 -0.000) 7.241 7.276 ( 8.209 6.128 0.000) 10.245 7.970 ( -0.541 2.369 0.000) 2.430 8.201 ( -0.226 -1.412 -0.000) 1.430 8.763 ( 6.451 6.806 0.000) 9.378 9.336 ( 6.062 6.133 0.000) 8.624 10.589 ( -7.502 -5.860 -0.000) 9.520 10.808 ( -2.475 -2.482 -0.000) 3.505 10.811 ( -2.006 -2.229 -0.000) 2.999 10.987 ( 3.403 2.037 0.000) 3.966 11.186 ( -2.439 -2.193 -0.000) 3.280 25.375 ( 1.607 2.186 0.000) 2.714 25.506 ( 0.776 -3.310 -0.000) 3.400 25.647 ( 2.295 5.999 0.000) 6.423 25.713 ( 1.076 -0.778 0.000) 1.328 26.511 ( -1.775 -5.043 -0.000) 5.347 27.125 ( -3.432 0.679 -0.000) 3.498 27.486 ( -0.278 -0.237 -0.000) 0.365 27.699 ( -0.143 -0.189 -0.000) 0.236 ======================= Grid point 2 (3/105) ======================= 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 7.349 9.335 0.000) 11.881 0.952 ( 9.825 11.606 0.000) 15.206 1.532 ( 14.366 12.639 0.000) 19.135 1.782 ( 2.838 -3.531 0.000) 4.530 1.993 ( -0.044 -2.160 -0.000) 2.160 2.063 ( -2.307 -0.158 -0.000) 2.312 2.202 ( -5.340 -8.306 -0.000) 9.874 2.414 ( -2.121 1.955 -0.000) 2.885 2.427 ( -4.339 -4.906 -0.000) 6.550 2.607 ( -0.635 2.898 0.000) 2.967 2.745 ( 0.871 0.321 0.000) 0.929 3.050 ( 2.258 3.028 0.000) 3.777 3.627 ( 4.490 11.839 0.000) 12.662 3.755 ( 9.785 9.318 0.000) 13.512 5.024 ( 5.933 1.997 0.000) 6.260 5.394 ( -0.615 -16.656 -0.000) 16.667 5.871 ( -8.163 0.238 -0.000) 8.167 6.194 ( -11.079 -2.131 -0.000) 11.282 7.590 ( 10.695 3.662 0.000) 11.305 7.993 ( -3.484 5.413 -0.000) 6.437 8.290 ( 6.258 3.192 0.000) 7.025 9.099 ( 9.501 7.599 0.000) 12.166 9.655 ( 8.716 9.568 0.000) 12.943 10.265 ( -11.024 -6.640 -0.000) 12.869 10.648 ( -6.199 -4.330 -0.000) 7.561 10.702 ( -2.201 -3.258 -0.000) 3.931 11.022 ( -1.242 -3.935 -0.000) 4.127 11.090 ( -0.400 -0.704 -0.000) 0.809 25.434 ( 0.872 -3.477 -0.000) 3.585 25.566 ( 7.747 5.488 0.000) 9.494 25.722 ( 2.040 -1.680 0.000) 2.643 25.816 ( -0.432 7.656 0.000) 7.668 26.316 ( -2.835 -8.304 -0.000) 8.775 27.047 ( -5.495 0.829 -0.000) 5.557 27.479 ( -0.160 0.189 -0.000) 0.247 27.691 ( -0.041 -0.395 -0.000) 0.397 ======================= Grid point 3 (4/105) ======================= 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 5.348 8.214 0.000) 9.802 1.356 ( 5.950 10.683 0.000) 12.228 1.637 ( -0.664 -4.183 -0.000) 4.235 1.924 ( -2.436 -3.755 -0.000) 4.476 1.933 ( -2.736 -4.754 -0.000) 5.485 2.029 ( -1.630 1.393 -0.000) 2.145 2.054 ( 6.928 -1.419 0.000) 7.072 2.230 ( 1.128 -0.535 0.000) 1.248 2.488 ( 0.955 4.284 0.000) 4.390 2.521 ( -3.323 -3.844 -0.000) 5.081 2.886 ( 2.277 5.087 0.000) 5.573 3.118 ( -0.351 1.414 0.000) 1.456 3.946 ( -2.442 19.496 0.000) 19.648 4.310 ( 20.265 10.007 0.000) 22.601 5.049 ( 3.318 -19.218 -0.000) 19.502 5.130 ( 4.181 -1.123 0.000) 4.329 5.585 ( -8.894 -8.660 -0.000) 12.413 5.943 ( -16.214 3.766 -0.000) 16.646 7.848 ( 10.962 -0.637 0.000) 10.980 8.073 ( -2.750 7.107 0.000) 7.620 8.553 ( 7.568 8.128 0.000) 11.106 9.420 ( 10.085 3.585 0.000) 10.704 9.861 ( -13.258 -7.678 -0.000) 15.321 10.088 ( 10.075 12.333 0.000) 15.925 10.369 ( -10.028 -5.847 -0.000) 11.608 10.618 ( 0.340 -2.199 -0.000) 2.225 10.868 ( -5.220 -2.528 -0.000) 5.800 11.054 ( 0.322 -4.522 -0.000) 4.533 25.398 ( 3.178 -3.355 0.000) 4.622 25.705 ( 0.098 -3.121 -0.000) 3.123 25.908 ( 6.680 5.790 0.000) 8.840 25.947 ( -0.143 11.436 0.000) 11.437 26.095 ( -0.177 -8.322 -0.000) 8.324 26.923 ( -6.751 -1.007 -0.000) 6.825 27.495 ( 0.301 1.399 0.000) 1.431 27.674 ( -0.231 -1.219 -0.000) 1.240 ======================= Grid point 4 (5/105) ======================= 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 4.206 6.932 0.000) 8.108 1.466 ( -3.742 -4.643 -0.000) 5.963 1.661 ( 2.956 6.675 0.000) 7.301 1.800 ( -2.223 -1.080 -0.000) 2.472 1.845 ( -0.531 -2.696 -0.000) 2.748 1.902 ( -0.860 -6.825 -0.000) 6.879 2.101 ( 1.893 5.060 0.000) 5.402 2.286 ( -3.276 -5.633 -0.000) 6.517 2.494 ( 6.219 1.261 0.000) 6.345 2.566 ( -1.398 2.367 0.000) 2.749 3.013 ( 1.888 3.141 0.000) 3.665 3.097 ( -2.081 -0.739 -0.000) 2.208 4.337 ( -4.102 23.555 0.000) 23.909 4.717 ( 5.249 -21.948 -0.000) 22.567 4.891 ( 14.923 7.104 0.000) 16.528 5.230 ( -7.022 -8.282 -0.000) 10.859 5.244 ( 11.363 0.194 0.000) 11.365 5.616 ( -20.381 1.245 -0.000) 20.419 8.023 ( 10.193 -3.665 0.000) 10.832 8.110 ( -6.872 5.489 -0.000) 8.795 8.942 ( 10.544 10.699 0.000) 15.022 9.405 ( -13.095 -9.425 -0.000) 16.134 9.699 ( 11.302 2.692 0.000) 11.618 10.020 ( -11.757 -4.987 -0.000) 12.771 10.521 ( 9.337 7.162 0.000) 11.768 10.651 ( 2.604 3.727 0.000) 4.547 10.715 ( -6.928 -0.006 -0.000) 6.928 10.893 ( -2.344 -9.045 -0.000) 9.344 25.443 ( 4.842 -0.198 0.000) 4.846 25.580 ( -4.561 -3.175 -0.000) 5.557 25.978 ( -5.848 7.122 -0.000) 9.216 25.999 ( 5.394 -6.976 0.000) 8.818 26.350 ( 10.231 9.217 0.000) 13.770 26.702 ( -8.594 -5.224 -0.000) 10.057 27.551 ( 0.857 2.628 0.000) 2.765 27.625 ( -0.785 -2.427 -0.000) 2.551 ======================= Grid point 9 (6/105) ======================= q-point: (-0.24 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 5.203 -9.040 -4.943) 11.542 0.593 ( -4.367 -11.794 -6.554) 14.182 1.367 ( 0.014 -22.392 -10.711) 24.822 1.801 ( 1.785 5.614 1.306) 6.034 1.977 ( 1.514 0.993 3.529) 3.967 2.061 ( -0.888 -3.370 1.892) 3.965 2.183 ( -0.650 2.611 8.745) 9.150 2.309 ( 1.001 4.487 3.866) 6.006 2.480 ( -6.042 0.734 -1.234) 6.211 2.602 ( 3.128 0.330 0.628) 3.207 2.892 ( 3.040 4.761 0.115) 5.650 2.987 ( -1.159 -0.090 -3.725) 3.902 3.406 ( -1.096 -6.963 3.334) 7.797 3.519 ( -1.742 -16.219 1.332) 16.367 4.745 ( 1.628 -0.314 7.221) 7.409 5.569 ( -0.836 10.571 3.730) 11.241 5.995 ( 1.615 -5.500 2.525) 6.264 6.250 ( -1.404 6.410 8.098) 10.423 7.447 ( 1.391 -3.284 -6.432) 7.355 8.017 ( -2.936 1.975 -9.158) 9.817 8.371 ( 0.582 -3.027 -6.966) 7.618 8.961 ( 0.524 -9.010 -6.150) 10.922 9.527 ( 0.055 -11.207 -5.501) 12.484 10.332 ( -0.984 10.045 7.408) 12.520 10.748 ( -0.696 4.336 0.642) 4.438 10.870 ( -0.806 6.439 -0.935) 6.556 10.982 ( 2.138 -4.507 0.222) 4.993 11.142 ( -0.245 2.215 1.594) 2.740 25.383 ( 0.663 -0.856 6.744) 6.830 25.499 ( 0.007 2.771 -7.514) 8.008 25.598 ( -0.984 -7.188 6.935) 10.036 25.823 ( 1.322 1.167 -7.171) 7.385 26.400 ( 1.892 8.684 -1.817) 9.071 27.188 ( -2.348 -3.080 1.525) 4.162 27.484 ( -0.122 0.499 -0.454) 0.686 27.682 ( 0.075 0.509 0.908) 1.044 ======================= Grid point 10 (7/105) ======================= q-point: (-0.24 -0.01 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 4.526 -7.145 -6.387) 10.599 0.543 ( 11.174 -9.773 -4.792) 15.599 1.064 ( 14.364 -14.241 -17.646) 26.843 1.864 ( -4.135 1.696 1.296) 4.653 1.988 ( -1.092 -1.028 2.307) 2.751 2.009 ( 2.625 -0.306 4.546) 5.258 2.267 ( -0.008 0.216 9.613) 9.615 2.370 ( 3.268 -1.401 11.246) 11.795 2.479 ( -1.899 3.119 -1.238) 3.856 2.585 ( -0.870 0.453 -1.615) 1.889 2.908 ( -4.088 -0.202 -4.208) 5.870 3.012 ( -0.591 0.934 -1.615) 1.957 3.278 ( 8.724 -3.922 -0.355) 9.572 3.383 ( 6.393 -7.346 5.727) 11.298 4.741 ( 1.058 -1.934 4.088) 4.645 5.756 ( 0.727 4.657 10.560) 11.564 5.844 ( -1.996 -3.496 4.262) 5.862 6.324 ( -3.199 3.506 11.257) 12.217 7.438 ( -3.632 2.756 -14.892) 15.574 8.076 ( 2.456 0.488 -8.459) 8.821 8.311 ( 1.080 -2.031 -7.483) 7.829 8.863 ( 4.868 -5.117 -8.907) 11.367 9.394 ( 5.877 -5.978 -5.225) 9.878 10.455 ( -4.935 5.567 10.765) 13.086 10.821 ( -0.465 4.072 -1.279) 4.293 10.845 ( -3.376 0.225 -1.865) 3.863 10.990 ( 0.670 -1.632 0.029) 1.764 11.159 ( -1.928 2.114 2.358) 3.708 25.372 ( -0.639 -0.176 6.827) 6.859 25.498 ( 3.950 -2.741 6.312) 7.934 25.588 ( -1.202 2.170 -8.737) 9.083 25.834 ( -2.431 0.187 -7.413) 7.803 26.531 ( -4.293 1.671 -1.805) 4.947 27.096 ( 2.705 0.312 2.534) 3.720 27.490 ( -0.255 0.339 -0.491) 0.648 27.688 ( -0.173 0.135 0.976) 1.001 ======================= Grid point 12 (8/105) ======================= q-point: (-0.24 -0.01 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 10.255 1.199 -3.012) 10.755 0.919 ( 9.351 10.516 -3.162) 14.423 1.643 ( -5.351 0.762 3.412) 6.392 1.834 ( 9.176 1.456 1.848) 9.473 1.987 ( -1.507 1.291 2.666) 3.323 2.106 ( 5.305 -0.991 -0.457) 5.416 2.169 ( -1.548 0.541 4.757) 5.031 2.270 ( -1.386 2.357 -2.134) 3.468 2.355 ( -1.503 -2.291 -3.191) 4.206 2.653 ( 1.009 2.375 0.567) 2.642 2.770 ( -5.501 -1.849 -5.613) 8.074 2.979 ( -2.019 2.015 0.392) 2.879 3.503 ( 0.229 2.369 1.227) 2.678 3.947 ( 22.719 3.035 1.271) 22.956 4.830 ( 1.022 4.659 11.349) 12.310 5.343 ( -13.631 2.968 6.302) 15.308 5.998 ( -8.852 -2.586 4.784) 10.389 6.055 ( 2.118 -7.943 -14.360) 16.547 7.638 ( 9.540 2.493 8.056) 12.733 7.946 ( -2.752 2.018 -10.108) 10.669 8.471 ( 4.888 1.410 -4.854) 7.031 9.245 ( 11.651 5.162 -1.295) 12.809 9.787 ( 10.476 1.324 -4.765) 11.585 10.058 ( -10.739 -2.744 2.162) 11.293 10.580 ( -9.005 -3.148 -0.007) 9.539 10.720 ( -3.278 -1.289 -0.413) 3.546 11.033 ( -3.229 -3.604 1.939) 5.213 11.112 ( 3.055 0.329 0.738) 3.160 25.437 ( 3.336 0.935 5.278) 6.314 25.541 ( -1.494 5.795 -0.123) 5.986 25.733 ( 8.021 -1.006 4.502) 9.253 25.806 ( -1.042 -0.089 -4.960) 5.069 26.252 ( -10.332 2.863 -3.351) 11.233 27.128 ( 1.495 -6.788 -1.197) 7.053 27.474 ( -0.288 0.114 -0.420) 0.522 27.675 ( -0.530 0.335 0.805) 1.020 ======================= Grid point 13 (9/105) ======================= q-point: (-0.24 -0.01 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 7.210 2.186 1.016) 7.602 1.308 ( 7.339 9.127 -2.771) 12.034 1.543 ( -5.212 1.753 4.637) 7.193 1.873 ( -6.669 -2.444 2.839) 7.649 1.901 ( 0.480 0.748 3.266) 3.385 2.088 ( 0.287 -5.663 -0.849) 5.733 2.190 ( -0.532 -2.759 -0.356) 2.833 2.266 ( -1.797 -0.556 3.204) 3.715 2.464 ( 8.179 3.286 -6.934) 11.215 2.669 ( 1.017 -0.132 -7.113) 7.186 2.788 ( -0.192 6.783 -0.583) 6.811 2.974 ( -3.520 3.110 3.928) 6.123 3.570 ( -4.508 10.687 -2.867) 11.948 4.520 ( 19.918 6.650 1.569) 21.057 4.953 ( 4.208 1.423 10.091) 11.025 5.122 ( -16.382 6.426 8.700) 19.630 5.711 ( -8.103 -5.834 -0.184) 9.986 5.859 ( -1.831 -11.322 -18.234) 21.542 7.842 ( 1.811 2.366 8.524) 9.030 8.034 ( 5.922 4.132 -3.489) 8.020 8.637 ( 5.838 4.286 -2.047) 7.526 9.603 ( 10.629 5.385 1.464) 12.004 9.686 ( -9.967 -5.863 -0.438) 11.572 10.112 ( 8.465 4.945 -2.434) 10.102 10.283 ( -11.310 -3.793 -3.486) 12.428 10.689 ( 2.309 -0.869 0.367) 2.494 10.852 ( -4.526 -5.006 -0.328) 6.757 11.123 ( 0.874 -3.737 2.729) 4.710 25.526 ( 4.253 -2.438 1.597) 5.156 25.570 ( -4.565 4.511 5.028) 8.153 25.780 ( -3.340 0.217 -3.459) 4.814 25.964 ( 10.822 5.056 4.133) 12.639 26.122 ( -7.409 3.806 -4.252) 9.352 26.995 ( 0.697 -8.107 -2.403) 8.485 27.482 ( 0.239 0.847 -0.555) 1.041 27.668 ( -0.656 0.000 0.608) 0.894 ======================= Grid point 14 (10/105) ======================= q-point: ( 0.76 -0.01 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 1.736 4.252 6.180) 7.700 1.474 ( 0.472 -1.013 -0.815) 1.383 1.619 ( 4.468 6.020 -0.980) 7.561 1.694 ( -6.449 0.311 2.130) 6.799 1.941 ( 0.475 -3.290 0.813) 3.422 2.001 ( 1.911 -1.346 1.383) 2.716 2.041 ( -2.431 -3.882 -4.170) 6.194 2.203 ( -1.613 -2.741 6.161) 6.933 2.599 ( -0.354 2.048 -6.765) 7.077 2.728 ( 2.185 -0.328 -8.134) 8.429 2.897 ( -1.098 4.515 4.714) 6.619 2.989 ( -0.508 2.808 3.268) 4.338 3.813 ( -4.959 21.563 -5.639) 22.833 4.747 ( -13.252 3.948 9.433) 16.739 5.035 ( -0.972 2.946 1.661) 3.519 5.067 ( 3.863 -2.918 4.294) 6.471 5.455 ( -2.348 -7.989 -5.887) 10.198 5.671 ( 6.334 -2.627 -10.704) 12.712 7.836 ( -5.730 2.632 3.641) 7.281 8.241 ( 8.854 -1.823 3.629) 9.741 8.899 ( 3.993 9.147 4.011) 10.756 9.372 ( -4.882 -6.621 -4.966) 9.609 9.830 ( -2.461 1.272 2.246) 3.566 10.014 ( 0.008 -2.491 -6.702) 7.150 10.404 ( 4.606 7.517 2.692) 9.218 10.669 ( -3.261 -2.546 -1.909) 4.556 10.777 ( 6.978 -1.329 -0.737) 7.142 10.986 ( -2.287 -7.832 3.180) 8.757 25.479 ( -3.440 0.375 2.324) 4.168 25.583 ( -0.608 -3.401 -2.100) 4.043 25.701 ( -4.811 5.277 -1.943) 7.400 26.102 ( -1.803 1.969 -0.694) 2.758 26.332 ( 9.147 7.553 6.696) 13.621 26.817 ( 0.515 -9.371 -3.825) 10.135 27.520 ( 0.452 1.917 -0.315) 1.995 27.641 ( -0.904 -1.057 0.029) 1.391 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.76 -0.01 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -2.817 0.629 7.347) 7.894 1.470 ( 2.256 -1.242 -1.085) 2.794 1.649 ( -6.802 5.573 4.154) 9.726 1.774 ( -1.056 -6.647 -0.414) 6.743 1.795 ( 2.488 2.752 -0.717) 3.779 1.916 ( 1.116 -1.512 -4.098) 4.509 2.103 ( -0.330 -2.719 2.605) 3.780 2.190 ( 4.768 4.817 1.651) 6.976 2.553 ( -3.759 -1.683 -7.112) 8.218 2.721 ( -0.616 -2.010 -6.510) 6.841 2.929 ( -2.602 2.518 5.711) 6.762 3.034 ( -0.647 1.528 2.536) 3.031 4.152 ( -8.893 16.962 -1.296) 19.196 4.492 ( -14.535 7.720 5.279) 17.284 4.857 ( -1.248 -14.797 -1.693) 14.946 4.949 ( -4.422 -3.749 2.462) 6.299 5.443 ( 4.756 4.032 -10.364) 12.095 5.956 ( 12.978 2.730 -0.522) 13.272 7.750 ( -5.215 0.475 3.825) 6.485 8.295 ( 2.990 -4.568 2.794) 6.133 8.908 ( -7.664 -3.576 4.068) 9.385 9.450 ( 9.154 7.181 -2.089) 11.821 9.612 ( -8.136 -3.116 -4.143) 9.647 10.169 ( 6.206 4.005 -0.972) 7.449 10.466 ( -2.392 -3.597 0.408) 4.339 10.700 ( -1.122 -0.208 2.037) 2.335 10.749 ( 0.489 -1.796 0.439) 1.912 10.919 ( 7.388 -1.092 -0.654) 7.497 25.385 ( -3.936 -1.429 -3.096) 5.208 25.530 ( -3.306 4.294 -0.151) 5.421 25.777 ( -0.056 5.319 -1.078) 5.427 26.067 ( -3.473 -1.131 1.284) 3.872 26.404 ( -2.065 -9.084 4.787) 10.473 26.837 ( 9.616 2.502 -1.864) 10.110 27.550 ( -1.143 0.325 1.212) 1.697 27.612 ( 0.347 0.228 -1.406) 1.466 ======================= Grid point 18 (12/105) ======================= q-point: (-0.24 -0.01 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -4.141 -8.982 3.889) 10.627 1.385 ( -11.412 -5.112 -1.907) 12.649 1.557 ( -0.368 3.718 0.829) 3.827 1.768 ( 0.860 2.642 5.455) 6.122 1.917 ( 1.831 2.670 1.047) 3.402 1.968 ( 2.574 1.461 -2.867) 4.121 2.112 ( 2.840 2.349 -1.354) 3.927 2.312 ( -0.560 -4.860 -1.198) 5.037 2.462 ( 1.263 1.163 -3.374) 3.785 2.632 ( -2.817 -1.138 -6.146) 6.856 2.886 ( -2.586 -1.948 3.049) 4.447 3.020 ( -3.564 2.029 3.873) 5.641 3.924 ( -14.815 -3.359 11.205) 18.877 4.444 ( -0.827 -18.936 -1.295) 18.998 4.628 ( -5.122 8.409 -5.798) 11.426 4.967 ( -0.408 13.503 0.885) 13.538 5.683 ( 6.366 6.162 -5.110) 10.227 6.189 ( 6.668 -0.564 1.193) 6.797 7.645 ( -1.982 -3.463 4.958) 6.364 8.209 ( -3.345 -2.250 -2.015) 4.507 8.649 ( -4.738 -7.213 -1.073) 8.697 9.399 ( -4.962 -4.494 -3.442) 7.528 9.804 ( 6.722 7.819 4.146) 11.113 10.198 ( -5.471 -10.630 -0.638) 11.972 10.403 ( 4.261 7.335 0.187) 8.485 10.623 ( 0.719 0.281 -2.406) 2.527 10.905 ( 3.169 4.637 1.736) 5.879 11.023 ( 4.714 -1.504 -0.321) 4.958 25.319 ( -1.373 0.706 -2.461) 2.905 25.578 ( -2.574 5.492 -1.025) 6.151 25.847 ( -4.014 -4.913 2.504) 6.821 25.945 ( -2.262 5.527 -2.300) 6.399 26.154 ( -1.141 -8.650 3.128) 9.269 27.080 ( 7.928 1.523 -0.244) 8.077 27.510 ( -0.957 -0.976 0.285) 1.396 27.643 ( 0.085 1.371 -0.210) 1.390 ======================= Grid point 19 (13/105) ======================= q-point: (-0.24 -0.01 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -4.509 -10.622 1.330) 11.616 0.986 ( -10.099 -10.088 -5.322) 15.234 1.656 ( -0.527 6.029 0.367) 6.063 1.781 ( 0.125 -10.543 -0.511) 10.556 1.914 ( -0.239 0.767 2.062) 2.213 2.094 ( 2.532 3.014 0.797) 4.016 2.140 ( -0.366 -2.360 -0.120) 2.391 2.241 ( -0.440 3.013 0.629) 3.109 2.489 ( 2.121 0.238 -1.966) 2.902 2.638 ( -6.444 3.842 -2.215) 7.822 2.776 ( 2.153 -2.632 2.052) 3.972 2.997 ( -2.372 1.904 0.479) 3.079 3.595 ( -6.587 -5.672 6.800) 11.036 3.983 ( -2.324 -20.950 0.111) 21.079 4.688 ( -0.888 4.211 7.657) 8.784 5.309 ( -0.471 16.206 -7.806) 17.994 5.920 ( 5.486 3.946 3.351) 7.542 6.228 ( 0.634 -1.780 3.092) 3.623 7.529 ( 0.809 -6.103 2.563) 6.668 8.093 ( -6.041 0.835 -6.977) 9.266 8.452 ( -0.641 -5.816 -5.230) 7.848 9.181 ( -2.841 -8.629 -2.797) 9.506 9.801 ( -2.151 -11.903 -2.723) 12.398 10.127 ( 0.961 8.971 4.584) 10.120 10.638 ( 1.119 7.661 0.420) 7.754 10.699 ( 2.236 4.665 -1.334) 5.343 11.023 ( 2.800 -1.925 1.762) 3.827 11.070 ( 1.796 1.983 -0.304) 2.693 25.346 ( 1.412 1.283 1.124) 2.214 25.578 ( -6.459 -1.911 -2.414) 7.155 25.662 ( 0.761 0.264 -1.973) 2.131 25.894 ( -1.020 -7.975 5.423) 9.697 26.180 ( 0.131 9.823 -2.779) 10.209 27.211 ( 4.043 -1.098 0.136) 4.192 27.484 ( -0.442 -0.130 -0.334) 0.569 27.666 ( -0.045 0.916 0.579) 1.085 ======================= Grid point 20 (14/105) ======================= q-point: (-0.47 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 1.606 -4.067 -3.221) 5.431 1.122 ( -1.834 -4.588 -2.385) 5.486 1.400 ( -0.929 4.992 2.397) 5.615 1.795 ( 1.895 2.515 0.822) 3.255 1.906 ( -0.588 -0.424 0.718) 1.020 2.054 ( 0.053 -0.391 0.782) 0.876 2.210 ( -1.307 -3.012 1.440) 3.586 2.424 ( 4.829 -4.338 -1.477) 6.658 2.491 ( -5.971 0.185 -0.783) 6.025 2.620 ( 2.257 -1.698 -3.620) 4.592 2.724 ( -0.594 1.703 3.607) 4.033 2.895 ( 0.668 3.841 -0.038) 3.899 3.474 ( 1.033 -1.603 1.362) 2.344 4.366 ( -1.365 -16.557 0.773) 16.631 4.566 ( 0.916 0.380 0.296) 1.035 5.002 ( -2.344 12.583 0.376) 12.805 5.766 ( 1.164 1.931 2.745) 3.552 6.348 ( 1.014 -5.063 4.325) 6.736 7.651 ( -0.059 0.396 -5.069) 5.084 8.071 ( -0.704 1.779 -1.424) 2.385 8.569 ( 0.176 -0.348 -2.129) 2.165 9.404 ( -0.329 -3.721 -3.872) 5.380 9.857 ( 0.012 2.839 4.672) 5.467 10.123 ( 0.668 -8.568 -3.723) 9.366 10.407 ( -0.129 8.717 2.324) 9.023 10.680 ( -0.467 1.478 -0.851) 1.768 10.966 ( 0.010 0.188 2.734) 2.740 11.159 ( 0.153 -0.465 -1.368) 1.453 25.353 ( 0.188 -1.949 2.135) 2.897 25.524 ( -1.805 0.764 -1.350) 2.380 25.796 ( 2.879 -2.286 -0.897) 3.784 25.879 ( -3.665 -5.199 4.643) 7.875 26.061 ( 3.091 9.846 -5.210) 11.560 27.247 ( -0.573 -0.806 0.590) 1.152 27.483 ( -0.055 0.168 -0.304) 0.352 27.642 ( -0.003 0.116 0.474) 0.488 ======================= Grid point 21 (15/105) ======================= q-point: (-0.47 -0.03 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 0.434 -7.111 -7.586) 10.407 1.004 ( 9.779 -8.176 -4.211) 13.425 1.546 ( 1.363 7.105 4.103) 8.317 1.832 ( -1.439 -3.756 -0.390) 4.041 1.931 ( 1.494 4.026 1.521) 4.555 2.053 ( 3.140 -2.584 5.521) 6.857 2.088 ( -0.967 -3.492 1.364) 3.872 2.323 ( -0.688 -4.871 0.272) 4.927 2.435 ( 0.224 -1.253 -4.700) 4.869 2.625 ( -0.065 -0.852 -0.087) 0.859 2.837 ( 3.298 4.439 1.470) 5.722 2.978 ( -0.587 1.985 -0.065) 2.071 3.502 ( 6.503 -2.771 -1.723) 7.275 3.905 ( 0.235 -22.936 2.333) 23.055 4.687 ( 5.876 2.133 2.799) 6.849 5.155 ( -2.441 8.124 6.679) 10.796 5.874 ( -1.161 6.440 6.554) 9.262 6.162 ( -1.768 -10.866 7.144) 13.124 7.645 ( -2.647 1.408 -10.038) 10.476 8.163 ( 4.358 3.413 -7.467) 9.295 8.579 ( 1.696 -1.445 -5.881) 6.289 9.302 ( 2.380 -6.697 -4.509) 8.417 9.905 ( -3.757 2.962 3.491) 5.922 9.957 ( 2.311 -7.366 -1.480) 7.861 10.607 ( -0.261 9.371 -1.730) 9.533 10.716 ( -1.374 3.806 0.623) 4.094 10.941 ( -2.400 0.523 5.634) 6.146 11.125 ( -1.990 -1.012 -1.501) 2.690 25.321 ( 2.358 -3.089 4.742) 6.131 25.474 ( -1.101 -2.403 5.898) 6.463 25.703 ( 1.574 -3.245 -2.035) 4.141 25.913 ( -0.267 3.081 -4.242) 5.250 26.352 ( 4.482 9.175 -5.332) 11.520 27.132 ( -5.659 -2.794 1.075) 6.402 27.490 ( 0.173 0.301 -1.035) 1.091 27.649 ( 0.179 0.224 1.527) 1.554 ======================= Grid point 22 (16/105) ======================= q-point: (-0.47 -0.03 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 3.366 -5.387 -10.104) 11.935 1.078 ( 11.212 -8.135 -5.023) 14.734 1.659 ( -0.641 2.190 3.704) 4.350 1.754 ( 1.624 -3.833 -1.646) 4.476 1.986 ( 1.186 1.792 0.318) 2.172 2.026 ( 0.532 -3.645 -0.573) 3.728 2.098 ( 2.250 -0.784 5.419) 5.919 2.230 ( -0.817 -2.237 4.316) 4.929 2.466 ( 2.314 1.298 -3.695) 4.549 2.622 ( 1.251 0.961 0.223) 1.593 2.904 ( -3.773 -4.916 0.978) 6.274 2.967 ( 1.081 2.636 1.657) 3.297 3.482 ( 3.209 -12.866 9.042) 16.049 3.707 ( 14.823 -4.908 -5.614) 16.593 4.770 ( 1.305 -2.906 -3.353) 4.625 5.351 ( 3.732 9.092 13.283) 16.524 5.806 ( -5.446 -8.179 11.790) 15.348 6.006 ( -0.712 2.470 4.143) 4.876 7.618 ( -2.587 2.063 -11.297) 11.772 8.319 ( 1.949 1.422 -8.886) 9.207 8.554 ( 1.623 -3.353 -7.195) 8.102 9.276 ( 6.011 -4.078 -6.568) 9.793 9.796 ( 3.341 -6.358 -7.219) 10.184 9.970 ( -3.439 4.440 12.512) 13.715 10.703 ( -5.176 4.067 0.616) 6.611 10.763 ( -2.437 3.590 0.446) 4.362 10.952 ( 0.330 2.699 0.070) 2.720 11.048 ( -2.794 0.182 0.998) 2.972 25.295 ( 1.760 -3.239 3.622) 5.168 25.482 ( 6.095 -0.923 8.065) 10.151 25.740 ( 2.013 1.757 -3.830) 4.670 25.879 ( -4.086 -2.310 -4.723) 6.659 26.473 ( -6.307 0.808 -6.174) 8.862 27.047 ( 0.788 3.306 2.576) 4.265 27.497 ( 0.023 0.133 -0.916) 0.926 27.654 ( -0.061 0.054 1.568) 1.570 ======================= Grid point 23 (17/105) ======================= q-point: (-0.47 -0.03 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 6.976 -2.344 -8.639) 11.348 1.106 ( 8.867 -9.041 -5.733) 13.901 1.583 ( -6.127 -2.373 5.478) 8.555 1.772 ( -0.734 3.343 0.323) 3.438 1.925 ( -0.792 -2.021 0.259) 2.186 2.051 ( 1.228 -1.071 -0.060) 1.630 2.146 ( 5.452 -1.396 2.526) 6.169 2.242 ( 3.411 1.925 -1.184) 4.092 2.547 ( 1.792 1.479 -2.696) 3.559 2.649 ( 0.748 -6.976 1.016) 7.089 2.730 ( -2.230 1.539 1.818) 3.263 2.974 ( -3.404 0.598 1.593) 3.806 3.406 ( 4.264 -2.473 8.441) 9.775 4.005 ( 21.177 -4.133 -2.141) 21.682 4.659 ( -2.484 -4.669 -3.171) 6.167 5.353 ( -12.189 -3.218 1.616) 12.710 5.723 ( 1.434 4.142 12.057) 12.829 6.124 ( 6.598 3.945 8.733) 11.634 7.636 ( -0.450 2.197 -11.432) 11.650 8.220 ( -4.296 -5.279 -3.535) 7.670 8.560 ( 1.831 -0.965 -6.104) 6.445 9.334 ( 6.154 -3.189 -10.424) 12.518 9.850 ( 3.698 2.204 1.119) 4.448 9.974 ( 0.977 0.050 6.513) 6.586 10.594 ( -9.243 1.313 3.853) 10.100 10.750 ( -3.544 0.312 -2.823) 4.542 10.952 ( -0.928 1.137 4.215) 4.463 11.107 ( 1.274 3.052 -2.685) 4.260 25.302 ( 2.948 -0.913 2.376) 3.895 25.625 ( 6.608 -1.184 5.152) 8.462 25.681 ( -2.529 -5.095 -5.674) 8.034 25.836 ( 0.482 3.389 -0.638) 3.482 26.258 ( -10.162 -1.259 -4.261) 11.091 27.186 ( 1.962 3.789 2.249) 4.824 27.493 ( -0.309 -0.228 -0.448) 0.590 27.649 ( -0.227 -0.163 0.959) 0.999 ======================= Grid point 25 (18/105) ======================= q-point: ( 0.53 -0.03 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -6.277 2.574 4.061) 7.906 1.226 ( -1.522 8.528 2.573) 9.037 1.447 ( 5.745 3.184 -3.563) 7.472 1.747 ( -0.604 -2.495 -0.303) 2.584 1.906 ( 1.017 -0.368 -1.717) 2.029 2.066 ( -0.389 0.594 2.820) 2.908 2.206 ( -0.014 -2.000 0.497) 2.061 2.331 ( -4.049 -3.471 -1.038) 5.433 2.572 ( 0.776 -0.107 2.915) 3.018 2.654 ( -1.931 6.996 3.839) 8.211 2.745 ( -1.448 1.548 -4.619) 5.082 2.884 ( 3.721 -0.181 -2.898) 4.720 3.486 ( -3.168 3.040 -8.073) 9.190 4.438 ( -18.472 4.601 2.861) 19.250 4.610 ( 2.457 5.152 2.966) 6.433 5.026 ( 17.041 -0.087 3.073) 17.316 5.727 ( -0.208 -2.349 -4.738) 5.292 6.274 ( -5.866 -5.931 -7.163) 10.996 7.641 ( -0.313 -0.548 7.221) 7.249 8.134 ( 3.181 4.587 -1.406) 5.756 8.592 ( -1.022 2.326 2.121) 3.309 9.443 ( -3.348 3.268 7.728) 9.034 9.811 ( 2.805 -4.095 -6.220) 7.958 10.129 ( -9.227 1.187 0.586) 9.322 10.396 ( 8.799 -1.211 -4.458) 9.938 10.691 ( 1.949 0.583 2.801) 3.462 10.931 ( 0.755 -3.080 -2.774) 4.213 11.131 ( -0.889 -2.541 2.371) 3.588 25.359 ( -2.254 0.766 1.236) 2.683 25.582 ( 4.681 2.586 2.917) 6.092 25.749 ( -4.234 -0.277 -0.488) 4.271 25.933 ( -6.204 1.089 -3.805) 7.359 26.054 ( 7.807 2.459 2.146) 8.462 27.203 ( 0.245 -4.659 -1.279) 4.837 27.488 ( 0.178 0.445 -0.249) 0.540 27.645 ( 0.091 0.237 0.007) 0.254 ======================= Grid point 26 (19/105) ======================= q-point: ( 0.53 -0.03 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -6.124 3.811 6.434) 9.666 1.298 ( -9.565 8.380 4.500) 13.489 1.614 ( 3.814 -0.355 -3.021) 4.878 1.734 ( 3.073 0.264 -2.553) 4.003 1.966 ( 3.146 1.821 1.257) 3.846 2.026 ( -1.112 -3.232 0.635) 3.476 2.157 ( -0.651 -1.194 -4.149) 4.366 2.224 ( -1.673 0.005 -0.036) 1.673 2.537 ( -3.771 1.347 6.708) 7.812 2.672 ( -3.398 -0.861 -3.519) 4.967 2.838 ( 2.057 7.035 1.191) 7.426 2.959 ( 1.961 -0.835 -3.248) 3.884 3.559 ( -4.115 13.035 -11.755) 18.028 4.084 ( -20.485 3.139 5.767) 21.511 4.781 ( -0.004 6.347 5.153) 8.175 5.329 ( 8.817 -5.043 -3.942) 10.895 5.712 ( 2.999 2.127 -9.661) 10.337 6.007 ( -2.554 -6.825 -6.142) 9.530 7.611 ( -1.571 0.262 7.368) 7.538 8.301 ( 3.301 1.497 4.669) 5.911 8.609 ( -3.319 4.039 6.066) 8.008 9.412 ( -6.416 4.018 5.824) 9.552 9.799 ( 3.524 -3.112 -3.227) 5.702 9.990 ( -6.155 2.326 -3.144) 7.292 10.551 ( 8.816 -2.732 -2.699) 9.617 10.720 ( 1.668 -2.535 1.626) 3.443 10.934 ( 3.086 -0.546 -1.151) 3.339 11.020 ( -0.880 -4.966 1.176) 5.178 25.335 ( -2.096 2.332 -0.530) 3.180 25.624 ( -6.807 0.227 -5.962) 9.052 25.728 ( 4.110 -2.660 0.748) 4.953 25.876 ( -5.006 7.566 2.285) 9.356 26.293 ( 9.990 1.647 6.258) 11.903 27.070 ( -0.736 -6.770 -2.171) 7.147 27.499 ( -0.140 0.413 0.369) 0.571 27.651 ( 0.167 0.006 -0.923) 0.938 ======================= Grid point 27 (20/105) ======================= q-point: ( 0.53 -0.03 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -1.755 6.843 7.160) 10.058 1.234 ( -10.806 7.108 4.185) 13.595 1.582 ( -1.234 -5.252 -2.372) 5.893 1.810 ( 0.947 1.898 -1.380) 2.531 1.929 ( 0.933 -4.098 -2.118) 4.707 2.062 ( 2.089 0.543 -0.875) 2.330 2.122 ( -2.399 0.486 -5.158) 5.709 2.264 ( 4.031 1.038 -1.667) 4.484 2.498 ( -4.986 4.427 6.943) 9.626 2.629 ( -1.096 1.767 -0.596) 2.164 2.905 ( -2.817 -3.128 -2.059) 4.686 2.957 ( 1.238 0.201 0.703) 1.438 3.704 ( -12.727 3.193 2.017) 13.275 3.940 ( -3.506 21.322 -2.314) 21.732 4.813 ( -5.230 1.133 0.407) 5.367 5.161 ( -2.815 -9.677 -9.940) 14.155 5.800 ( 5.140 -6.187 -8.143) 11.446 6.076 ( 6.828 6.598 0.559) 9.511 7.609 ( -0.027 1.121 4.125) 4.275 8.259 ( -3.526 -3.623 8.976) 10.302 8.629 ( -3.237 3.315 6.091) 7.653 9.388 ( -5.525 6.627 0.450) 8.640 9.809 ( 5.140 -5.495 -4.449) 8.741 10.005 ( -2.514 7.888 2.786) 8.735 10.583 ( 2.660 -7.978 3.148) 8.980 10.688 ( 1.292 -2.446 -0.517) 2.814 10.886 ( 2.093 -3.102 -3.407) 5.060 11.061 ( 4.133 0.793 -0.354) 4.223 25.378 ( -1.983 4.649 -2.591) 5.680 25.486 ( -3.208 -0.973 -8.337) 8.985 25.737 ( -0.948 2.399 0.446) 2.617 25.918 ( -1.770 0.692 4.420) 4.811 26.401 ( 0.687 -6.097 6.863) 9.206 27.010 ( 5.141 -0.037 -1.012) 5.239 27.497 ( -0.531 0.083 1.049) 1.178 27.651 ( -0.010 -0.149 -1.568) 1.575 ======================= Grid point 28 (21/105) ======================= q-point: ( 0.53 -0.03 -0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -2.472 2.651 2.715) 4.529 1.164 ( -7.735 6.428 1.928) 10.241 1.415 ( -2.170 -3.673 -1.170) 4.424 1.820 ( -0.414 -5.460 -1.765) 5.753 1.881 ( 1.585 1.469 0.343) 2.188 2.073 ( -1.395 -0.216 -4.128) 4.363 2.165 ( 2.794 3.396 -2.314) 4.970 2.382 ( 4.696 -0.273 1.704) 5.003 2.510 ( -3.238 4.480 1.525) 5.734 2.676 ( -2.096 4.313 2.021) 5.204 2.743 ( -3.486 -4.224 -2.488) 6.015 2.909 ( -0.670 -4.033 2.322) 4.701 3.526 ( -4.675 -0.470 5.503) 7.236 4.385 ( -2.503 20.511 -3.443) 20.948 4.650 ( -6.933 -1.514 -4.418) 8.360 4.942 ( 2.869 -10.686 -3.112) 11.494 5.762 ( 1.773 -3.588 -1.440) 4.253 6.312 ( 4.490 2.825 0.239) 5.310 7.638 ( 0.746 0.381 0.239) 0.871 8.112 ( -4.043 -1.069 5.539) 6.940 8.599 ( -2.605 0.357 2.354) 3.529 9.432 ( -3.030 4.490 -0.987) 5.505 9.810 ( 4.271 -3.083 -1.966) 5.623 10.150 ( -1.630 8.263 4.661) 9.626 10.397 ( 0.676 -9.568 1.241) 9.672 10.674 ( 0.095 -0.416 -0.941) 1.034 10.928 ( 3.492 -0.464 -2.318) 4.217 11.139 ( 2.108 0.208 -0.190) 2.126 25.375 ( -2.222 1.261 -4.727) 5.374 25.506 ( 0.743 2.013 -1.870) 2.846 25.833 ( -0.183 6.799 -2.004) 7.091 25.837 ( -0.991 -2.597 1.483) 3.150 26.152 ( -4.944 -9.623 6.278) 12.508 27.180 ( 5.559 1.793 0.287) 5.848 27.486 ( -0.405 -0.025 0.807) 0.903 27.645 ( -0.248 -0.093 -0.961) 0.997 ======================= Grid point 29 (22/105) ======================= q-point: ( 0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -3.583 9.931 1.452) 10.657 0.840 ( 3.431 11.572 5.415) 13.229 1.637 ( 0.506 -5.827 -2.024) 6.190 1.808 ( -1.397 13.490 1.312) 13.626 1.936 ( -2.566 -2.995 -4.116) 5.701 2.128 ( 0.588 3.512 1.244) 3.772 2.135 ( -1.356 -1.910 -5.131) 5.641 2.237 ( -0.654 -0.730 0.326) 1.033 2.456 ( 6.138 -1.666 3.119) 7.084 2.583 ( -2.893 -1.719 1.642) 3.745 2.809 ( 0.149 -2.686 -0.487) 2.734 2.962 ( 0.618 -2.539 1.523) 3.025 3.507 ( 2.292 3.108 -3.837) 5.444 3.935 ( 1.537 22.162 -0.234) 22.217 4.725 ( -4.200 -2.362 -10.698) 11.733 5.310 ( -0.617 -14.093 1.932) 14.238 6.004 ( -2.090 -5.761 -5.164) 8.014 6.183 ( 4.390 1.008 5.508) 7.115 7.578 ( -3.147 8.226 -4.567) 9.921 7.972 ( 4.298 -1.927 8.715) 9.906 8.453 ( -0.451 4.793 4.568) 6.637 9.170 ( -1.709 10.600 1.877) 10.900 9.776 ( 0.299 12.372 5.253) 13.444 10.111 ( 2.065 -10.752 -3.262) 11.425 10.631 ( 1.525 -7.922 -1.427) 8.193 10.730 ( -0.452 -5.164 0.539) 5.212 11.069 ( -0.874 0.731 -3.318) 3.508 11.093 ( -0.678 0.140 1.651) 1.791 25.400 ( -3.161 -0.105 -4.054) 5.141 25.485 ( 1.667 1.543 2.229) 3.183 25.708 ( -2.892 2.082 1.417) 3.835 25.849 ( 3.076 5.171 -1.617) 6.231 26.197 ( -1.795 -10.560 2.189) 10.933 27.232 ( 2.325 1.286 0.041) 2.657 27.475 ( 0.288 -0.262 0.422) 0.574 27.668 ( -0.233 -0.781 -0.680) 1.061 ======================= Grid point 30 (23/105) ======================= q-point: ( 0.29 -0.04 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 4.706 9.892 -2.947) 11.344 1.159 ( 8.524 5.683 3.660) 10.879 1.524 ( 2.266 -6.169 -2.567) 7.056 1.807 ( -2.544 -1.829 -5.116) 5.999 1.935 ( 0.035 -0.803 -0.414) 0.904 2.029 ( -3.119 -2.322 -0.020) 3.889 2.174 ( -2.819 -2.388 2.342) 4.374 2.304 ( -0.466 9.081 3.510) 9.746 2.500 ( -1.729 -1.902 2.364) 3.492 2.552 ( 5.027 0.172 4.180) 6.540 2.833 ( 2.340 1.318 -2.788) 3.871 2.939 ( 3.632 -2.955 -1.675) 4.973 3.681 ( 8.905 2.255 -7.286) 11.725 4.406 ( 2.225 15.438 -0.654) 15.611 4.571 ( 0.080 -5.530 0.392) 5.544 4.980 ( -1.800 -12.784 0.943) 12.945 5.808 ( -4.976 -5.725 0.101) 7.586 6.238 ( 1.251 -2.152 5.729) 6.246 7.669 ( -3.650 7.040 -7.595) 10.980 8.089 ( 7.287 0.880 4.315) 8.515 8.582 ( 1.918 6.229 0.613) 6.547 9.345 ( 0.337 6.763 0.715) 6.809 9.898 ( -2.347 -7.552 -1.949) 8.145 10.096 ( 4.362 10.615 2.339) 11.713 10.452 ( -0.526 -8.868 -0.549) 8.900 10.645 ( -1.466 -0.779 0.941) 1.909 10.970 ( -2.523 -4.598 -0.817) 5.308 11.107 ( -3.377 2.918 -0.033) 4.463 25.317 ( -1.259 -1.517 2.149) 2.916 25.543 ( 0.713 -3.405 0.691) 3.547 25.746 ( 3.371 6.329 0.499) 7.188 25.951 ( -1.008 -7.648 0.902) 7.766 26.101 ( 3.958 7.381 -4.314) 9.421 27.211 ( -4.275 -1.065 0.308) 4.416 27.491 ( 0.908 0.544 -0.041) 1.059 27.644 ( -0.111 -1.146 0.065) 1.154 ======================= Grid point 31 (24/105) ======================= q-point: (-0.71 -0.04 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 2.069 1.246 -7.302) 7.691 1.421 ( 10.674 0.196 -0.580) 10.692 1.492 ( 3.435 -2.734 -2.524) 5.064 1.787 ( -1.580 4.393 0.113) 4.670 1.848 ( -2.365 -3.268 0.165) 4.038 1.950 ( -2.122 -0.617 4.841) 5.321 2.102 ( -0.198 0.780 -0.718) 1.078 2.286 ( -4.211 -4.868 0.969) 6.509 2.501 ( 1.049 3.501 4.202) 5.569 2.694 ( 1.793 3.459 4.986) 6.328 2.861 ( 3.970 -3.984 -5.820) 8.094 2.994 ( 2.870 -0.421 -0.988) 3.064 3.918 ( 12.349 -5.295 -8.449) 15.872 4.282 ( 5.902 -17.538 9.022) 20.586 4.764 ( 5.889 2.690 -2.685) 7.009 4.920 ( -0.798 11.588 -3.853) 12.238 5.569 ( -6.966 -4.173 10.082) 12.945 6.134 ( -3.537 -5.733 3.952) 7.810 7.714 ( -1.984 3.251 -6.806) 7.800 8.280 ( 4.372 4.528 -0.967) 6.368 8.775 ( 5.087 4.414 -4.640) 8.179 9.465 ( 3.318 0.970 1.051) 3.614 9.640 ( -6.315 -6.115 2.984) 9.283 10.244 ( -1.277 -5.594 -2.037) 6.089 10.431 ( 1.663 8.397 1.186) 8.642 10.662 ( 1.240 3.825 -0.506) 4.053 10.802 ( -3.628 -4.144 0.693) 5.551 11.057 ( -5.692 1.311 -0.013) 5.841 25.316 ( 2.670 0.381 4.335) 5.106 25.460 ( 2.089 -5.796 0.896) 6.226 25.796 ( -0.988 -4.556 0.870) 4.743 25.967 ( 5.076 3.242 -2.152) 6.396 26.361 ( 2.725 10.276 -4.635) 11.598 27.027 ( -8.308 -3.393 1.011) 9.031 27.526 ( 1.113 0.398 -1.271) 1.736 27.618 ( -0.191 -0.845 1.465) 1.702 ======================= Grid point 33 (25/105) ======================= q-point: (-0.71 -0.04 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 1.217 -3.228 -11.037) 11.564 1.505 ( 0.963 -2.997 1.415) 3.451 1.546 ( 4.840 -0.242 -2.145) 5.300 1.728 ( -4.828 -3.040 0.661) 5.744 1.919 ( 2.729 5.527 1.168) 6.274 1.968 ( 2.609 3.143 5.896) 7.173 2.068 ( -2.983 -4.055 -0.863) 5.108 2.194 ( -0.369 3.386 -2.698) 4.345 2.569 ( 1.654 0.050 5.437) 5.684 2.735 ( 1.222 -1.394 2.066) 2.776 2.864 ( 1.806 -2.334 -3.332) 4.451 2.993 ( -0.017 -2.639 -1.058) 2.843 3.716 ( 4.174 -21.381 6.693) 22.790 4.377 ( 18.959 -5.445 -10.692) 22.437 4.952 ( 5.797 -0.145 0.551) 5.825 5.108 ( 0.326 4.765 -0.193) 4.780 5.458 ( -2.204 5.479 11.051) 12.530 5.869 ( -9.570 -4.504 3.799) 11.239 7.746 ( 1.922 0.296 -4.577) 4.973 8.384 ( -3.978 3.318 -4.072) 6.589 8.899 ( 3.190 -4.098 -10.058) 11.319 9.371 ( -3.198 0.034 7.447) 8.105 9.676 ( 7.304 2.892 3.001) 8.409 10.094 ( -3.291 -3.758 -1.296) 5.161 10.495 ( -4.445 -1.176 -0.433) 4.619 10.639 ( -0.401 0.486 2.672) 2.745 10.917 ( 1.764 7.805 -1.817) 8.205 10.935 ( -5.256 0.934 -0.406) 5.354 25.398 ( 3.556 -1.907 0.153) 4.038 25.469 ( 7.823 -0.071 4.176) 8.868 25.707 ( -2.604 -0.929 0.409) 2.795 26.046 ( 2.873 -3.332 -1.395) 4.615 26.507 ( -6.372 -0.201 -8.938) 10.979 26.851 ( -2.991 4.939 5.377) 7.890 27.527 ( -0.165 -1.344 -0.626) 1.492 27.623 ( 0.756 0.694 1.041) 1.462 ======================= Grid point 34 (26/105) ======================= q-point: (-0.71 -0.04 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -2.456 -1.040 -6.459) 6.988 1.448 ( -3.633 -3.659 2.517) 5.738 1.476 ( -1.144 -7.037 -2.449) 7.538 1.723 ( 6.611 2.401 -1.972) 7.304 1.915 ( -1.012 -2.270 -0.897) 2.643 2.079 ( 1.038 3.976 0.251) 4.117 2.154 ( 4.209 4.669 4.906) 7.974 2.237 ( -0.338 0.920 -5.188) 5.280 2.567 ( -1.131 -0.693 6.102) 6.245 2.698 ( -0.682 -4.469 6.758) 8.130 2.808 ( -1.838 -3.261 -2.258) 4.371 2.913 ( 1.140 -3.856 -3.936) 5.626 3.463 ( 5.425 -10.479 4.246) 12.540 4.647 ( 14.971 -5.641 -6.283) 17.188 4.852 ( 1.011 -10.726 -0.066) 10.773 5.139 ( -11.190 2.178 -8.400) 14.161 5.570 ( 5.478 3.439 4.069) 7.642 5.813 ( 1.479 8.972 14.786) 17.358 7.801 ( 3.060 -0.633 -2.746) 4.160 8.230 ( -10.168 -2.810 -5.412) 11.856 8.747 ( -4.251 -5.219 -3.566) 7.618 9.507 ( 6.399 6.289 5.698) 10.629 9.767 ( -3.479 -4.748 -6.120) 8.491 10.072 ( 7.519 2.753 4.732) 9.301 10.288 ( -8.394 -2.979 2.332) 9.207 10.739 ( 1.120 2.729 -0.528) 2.997 10.802 ( -3.252 1.707 1.988) 4.176 11.121 ( 1.179 5.014 -3.024) 5.973 25.449 ( 5.952 -3.019 -2.590) 7.159 25.636 ( -4.454 1.303 -0.953) 4.738 25.671 ( 6.297 2.741 3.916) 7.906 25.986 ( 4.609 -8.105 1.349) 9.421 26.205 ( -11.650 -4.593 -5.553) 13.698 27.009 ( -0.295 8.626 3.080) 9.164 27.491 ( -0.607 -0.873 0.419) 1.143 27.652 ( 0.933 0.018 -0.100) 0.939 ======================= Grid point 36 (27/105) ======================= q-point: ( 0.29 -0.04 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -8.491 -0.965 0.650) 8.570 1.114 ( -9.034 -8.347 2.219) 12.498 1.498 ( 6.781 -1.915 -5.465) 8.917 1.887 ( 3.551 -0.444 -2.354) 4.284 1.912 ( 2.987 0.853 -4.574) 5.529 2.142 ( 1.454 -1.088 -1.870) 2.607 2.228 ( -3.005 1.023 -4.088) 5.176 2.306 ( 1.921 4.249 4.897) 6.762 2.399 ( -10.960 -3.087 6.605) 13.164 2.618 ( 4.069 -6.097 8.286) 11.063 2.723 ( -1.350 2.845 -0.529) 3.193 2.913 ( 3.944 -2.497 -2.012) 5.083 3.472 ( 3.021 0.215 0.019) 3.029 4.408 ( -19.421 -3.634 0.155) 19.758 4.812 ( 5.405 -9.789 -9.303) 14.546 5.064 ( 9.165 -0.822 -6.194) 11.092 5.815 ( 7.996 4.000 -2.997) 9.430 6.058 ( 2.530 7.430 18.206) 19.825 7.803 ( -3.503 -1.461 -7.747) 8.627 7.954 ( -5.855 -2.747 3.048) 7.149 8.576 ( -5.105 -1.755 1.197) 5.529 9.480 ( -10.294 -5.860 -2.774) 12.166 9.803 ( 9.142 5.377 1.841) 10.765 10.043 ( -9.653 -1.923 4.697) 10.906 10.365 ( 10.802 3.820 1.066) 11.507 10.696 ( -0.883 -0.281 -0.878) 1.276 10.948 ( 4.554 3.682 0.305) 5.864 11.170 ( -2.143 0.831 -2.078) 3.099 25.463 ( 2.914 -4.949 -2.456) 6.246 25.552 ( -4.439 -0.534 -2.923) 5.342 25.774 ( 1.236 -0.558 3.062) 3.349 25.928 ( -9.679 1.432 -4.689) 10.850 26.026 ( 10.901 -4.352 4.668) 12.632 27.155 ( -0.929 6.589 1.723) 6.874 27.472 ( -0.158 -0.176 0.466) 0.522 27.661 ( 0.745 -0.552 -0.486) 1.047 ======================= Grid point 38 (28/105) ======================= q-point: ( 0.29 -0.04 -0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -9.010 5.101 1.678) 10.488 0.766 ( -10.638 10.992 5.187) 16.152 1.435 ( -19.251 6.577 10.627) 22.952 1.769 ( 4.904 -0.830 0.036) 4.974 1.955 ( 1.980 -0.173 -3.183) 3.753 2.068 ( -2.724 -0.487 -1.676) 3.235 2.207 ( 4.535 -0.478 -6.111) 7.625 2.327 ( 4.816 3.321 -5.741) 8.197 2.508 ( 0.311 -5.212 -0.278) 5.229 2.609 ( -4.508 4.290 0.203) 6.226 2.811 ( 4.657 -2.419 2.903) 5.997 3.014 ( -0.055 0.957 1.494) 1.775 3.455 ( -7.631 4.502 -5.263) 10.305 3.599 ( -14.949 4.380 -1.628) 15.662 4.744 ( 1.159 1.652 -7.098) 7.379 5.608 ( 12.001 2.065 4.212) 12.885 5.912 ( -4.508 -5.287 -7.300) 10.078 6.243 ( 3.619 -2.551 -8.766) 9.821 7.431 ( -2.745 0.786 4.654) 5.460 8.104 ( -0.153 3.449 8.356) 9.041 8.355 ( -3.329 -0.075 8.025) 8.689 9.002 ( -8.087 4.563 5.731) 10.912 9.565 ( -10.188 3.771 4.409) 11.724 10.313 ( 8.334 -3.231 -8.480) 12.321 10.751 ( 4.426 -0.443 1.091) 4.580 10.808 ( 3.355 -5.355 1.578) 6.513 10.984 ( -0.306 1.183 -0.891) 1.512 11.118 ( 1.981 -2.261 -1.602) 3.406 25.365 ( 0.388 -0.265 -5.391) 5.412 25.530 ( -1.067 1.986 6.899) 7.258 25.654 ( -4.353 4.627 -5.828) 8.621 25.789 ( 0.156 -1.692 3.736) 4.104 26.382 ( 9.068 -0.272 2.623) 9.443 27.166 ( -3.132 -3.981 -0.863) 5.138 27.485 ( 0.210 -0.027 0.438) 0.486 27.681 ( 0.501 0.015 -0.888) 1.020 ======================= Grid point 39 (29/105) ======================= q-point: ( 0.29 -0.04 -0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( -2.221 9.982 4.292) 11.090 0.732 ( -12.547 8.713 3.961) 15.781 1.439 ( -6.855 19.457 10.046) 22.946 1.806 ( 1.484 -4.010 -3.750) 5.687 2.002 ( -1.057 -0.398 -2.557) 2.796 2.034 ( 1.744 2.708 -1.811) 3.695 2.227 ( -1.515 -3.037 -8.996) 9.615 2.339 ( -2.846 -3.554 -2.356) 5.127 2.401 ( 0.981 -3.433 2.153) 4.169 2.616 ( 1.752 2.297 -1.189) 3.124 2.885 ( 2.726 -4.380 4.981) 7.171 2.993 ( -1.511 0.228 0.233) 1.546 3.444 ( -5.515 7.159 0.358) 9.044 3.545 ( -3.910 12.817 -4.670) 14.191 4.791 ( -2.036 2.459 -7.887) 8.508 5.591 ( -2.747 -10.121 -10.327) 14.718 5.952 ( 5.618 5.605 6.676) 10.370 6.200 ( 3.215 -8.313 -7.022) 11.347 7.471 ( -1.091 5.633 2.116) 6.115 8.021 ( -2.977 -3.845 9.681) 10.833 8.377 ( -0.472 3.995 7.339) 8.370 9.019 ( -4.848 9.556 5.487) 12.039 9.566 ( -3.667 9.987 5.234) 11.857 10.286 ( 3.385 -10.194 -7.204) 12.933 10.722 ( 1.708 -5.228 0.210) 5.504 10.812 ( 3.731 -3.960 2.104) 5.834 11.029 ( -0.859 2.507 -2.397) 3.573 11.110 ( 2.335 -2.315 -0.870) 3.401 25.386 ( -0.233 1.429 -5.115) 5.316 25.559 ( -3.529 0.283 4.940) 6.078 25.590 ( -1.761 4.826 -8.162) 9.644 25.827 ( 1.167 -0.664 6.574) 6.710 26.439 ( -0.251 -7.144 2.457) 7.558 27.101 ( 4.257 0.895 0.104) 4.352 27.482 ( 0.046 -0.450 0.401) 0.605 27.683 ( -0.050 -0.304 -0.944) 0.993 ======================= Grid point 40 (30/105) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 0.264 11.267 0.000) 11.270 0.242 ( -0.732 11.891 0.000) 11.913 0.638 ( 0.122 30.039 0.000) 30.039 1.888 ( -2.809 -2.944 -0.000) 4.069 2.034 ( -0.587 -0.311 -0.000) 0.664 2.048 ( 0.592 1.113 0.000) 1.260 2.336 ( 3.165 -0.655 0.000) 3.232 2.507 ( -0.815 -7.725 -0.000) 7.768 2.589 ( 0.970 -2.897 -0.000) 3.055 2.590 ( 1.086 0.057 0.000) 1.088 2.847 ( -0.087 4.846 0.000) 4.846 2.977 ( -12.893 -3.012 -0.000) 13.241 3.215 ( 16.191 7.813 0.000) 17.978 3.416 ( -4.633 4.094 -0.000) 6.183 4.776 ( -0.258 4.824 0.000) 4.831 5.816 ( -3.032 -11.114 -0.000) 11.520 5.961 ( 2.869 1.660 0.000) 3.315 6.511 ( 0.609 -5.058 -0.000) 5.094 7.197 ( -0.673 8.663 0.000) 8.689 7.928 ( 0.792 -1.182 0.000) 1.423 8.246 ( -0.113 -0.217 -0.000) 0.245 8.691 ( 0.322 7.289 0.000) 7.296 9.270 ( 0.019 6.985 0.000) 6.985 10.649 ( 0.532 -10.177 -0.000) 10.190 10.835 ( -0.086 -2.079 -0.000) 2.080 10.892 ( 1.670 2.785 0.000) 3.247 10.907 ( -2.123 0.695 -0.000) 2.234 11.213 ( 0.055 -1.981 -0.000) 1.982 25.355 ( 0.163 0.420 0.000) 0.451 25.526 ( -2.125 -0.933 -0.000) 2.321 25.597 ( 2.012 5.256 0.000) 5.628 25.699 ( -0.920 -1.019 -0.000) 1.373 26.527 ( -1.507 -5.179 -0.000) 5.394 27.170 ( 1.961 1.320 0.000) 2.364 27.489 ( 0.009 -0.351 -0.000) 0.351 27.701 ( -0.011 -0.255 -0.000) 0.255 ======================= Grid point 41 (31/105) ======================= q-point: ( 0.06 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 5.641 11.335 0.000) 12.661 0.687 ( 14.569 9.569 0.000) 17.431 1.299 ( 6.713 23.833 0.000) 24.761 1.755 ( -0.203 -5.137 -0.000) 5.141 2.002 ( -0.775 -1.370 -0.000) 1.574 2.090 ( -0.235 1.163 0.000) 1.186 2.292 ( -3.391 -7.913 -0.000) 8.608 2.407 ( 4.760 -7.157 0.000) 8.595 2.483 ( -3.619 -1.790 -0.000) 4.037 2.639 ( 2.006 4.924 0.000) 5.317 2.754 ( -5.302 -2.431 -0.000) 5.833 2.979 ( 4.077 2.437 0.000) 4.750 3.515 ( 2.704 9.301 0.000) 9.686 3.637 ( 5.888 11.660 0.000) 13.062 4.916 ( 3.599 3.782 0.000) 5.221 5.427 ( -2.935 -17.899 -0.000) 18.138 5.997 ( -3.518 0.325 -0.000) 3.533 6.360 ( -4.075 -4.452 -0.000) 6.035 7.428 ( 4.183 8.095 0.000) 9.112 7.993 ( 4.543 0.219 0.000) 4.548 8.231 ( -1.556 4.246 0.000) 4.523 8.948 ( 4.911 10.269 0.000) 11.383 9.514 ( 4.704 10.682 0.000) 11.672 10.409 ( -2.560 -10.646 -0.000) 10.949 10.750 ( -2.087 -3.425 -0.000) 4.011 10.772 ( -6.145 -2.817 -0.000) 6.759 10.996 ( 2.435 0.123 0.000) 2.438 11.138 ( -2.529 -2.356 -0.000) 3.456 25.420 ( 2.253 -2.143 0.000) 3.109 25.460 ( 0.492 3.289 0.000) 3.325 25.673 ( 1.983 -2.703 0.000) 3.352 25.797 ( 2.212 8.138 0.000) 8.433 26.350 ( -0.981 -9.359 -0.000) 9.410 27.170 ( -5.105 2.523 -0.000) 5.694 27.481 ( 0.002 -0.215 -0.000) 0.215 27.691 ( 0.016 -0.597 -0.000) 0.598 ======================= Grid point 42 (32/105) ======================= q-point: ( 0.06 -0.06 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 5.243 10.264 0.000) 11.526 1.174 ( 11.984 9.968 0.000) 15.587 1.640 ( -0.144 -3.348 -0.000) 3.351 1.863 ( 8.200 10.357 0.000) 13.210 1.940 ( -1.004 -2.838 -0.000) 3.010 2.026 ( -3.764 -4.652 -0.000) 5.984 2.084 ( -3.675 -1.304 -0.000) 3.900 2.252 ( -0.744 -7.584 -0.000) 7.620 2.470 ( 0.586 3.327 0.000) 3.378 2.597 ( -3.231 -5.169 -0.000) 6.095 2.828 ( 3.004 5.778 0.000) 6.512 3.088 ( 3.173 0.404 0.000) 3.199 3.889 ( 11.872 10.648 0.000) 15.947 4.023 ( 2.675 17.956 0.000) 18.154 4.999 ( 0.986 -20.779 -0.000) 20.802 5.037 ( 4.511 -0.634 0.000) 4.555 5.768 ( -8.480 -8.770 -0.000) 12.199 6.213 ( -8.851 1.995 -0.000) 9.073 7.660 ( 6.357 3.242 0.000) 7.136 8.095 ( 1.254 4.201 0.000) 4.384 8.414 ( 5.189 8.572 0.000) 10.020 9.250 ( 6.084 6.668 0.000) 9.026 9.897 ( 7.901 13.220 0.000) 15.401 10.088 ( -7.803 -9.992 -0.000) 12.678 10.541 ( -6.573 -6.485 -0.000) 9.234 10.635 ( -1.752 -2.824 -0.000) 3.324 10.967 ( -4.279 -0.962 -0.000) 4.386 11.052 ( -0.308 -2.827 -0.000) 2.843 25.350 ( 1.226 -3.764 -0.000) 3.959 25.662 ( 3.228 -3.900 0.000) 5.062 25.715 ( 8.274 7.978 0.000) 11.494 25.994 ( -0.849 9.194 0.000) 9.233 26.114 ( -1.377 -10.191 -0.000) 10.283 27.077 ( -7.542 1.114 -0.000) 7.624 27.489 ( 0.341 0.825 0.000) 0.893 27.675 ( 0.101 -1.231 -0.000) 1.235 ======================= Grid point 43 (33/105) ======================= q-point: ( 0.06 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 3.629 8.144 0.000) 8.916 1.534 ( -2.333 -4.141 -0.000) 4.753 1.570 ( 6.529 8.599 0.000) 10.797 1.854 ( -1.171 -3.296 -0.000) 3.497 1.863 ( -3.112 -1.660 -0.000) 3.527 1.907 ( 0.384 -9.046 -0.000) 9.054 2.077 ( 0.428 3.136 0.000) 3.165 2.314 ( 2.159 3.037 0.000) 3.726 2.408 ( -0.430 -4.512 -0.000) 4.533 2.571 ( 0.656 3.613 0.000) 3.672 2.973 ( 2.111 3.005 0.000) 3.672 3.116 ( 0.628 -1.596 -0.000) 1.714 4.376 ( 4.359 18.591 0.000) 19.096 4.511 ( 14.514 10.882 0.000) 18.140 4.608 ( 4.722 -22.734 -0.000) 23.220 5.101 ( 4.878 -1.390 0.000) 5.072 5.381 ( -8.007 -9.965 -0.000) 12.784 5.998 ( -15.152 0.367 -0.000) 15.156 7.827 ( 7.809 -1.123 0.000) 7.890 8.206 ( -1.907 5.876 0.000) 6.177 8.754 ( 7.670 10.439 0.000) 12.954 9.490 ( 8.210 3.328 0.000) 8.859 9.669 ( -11.566 -10.665 -0.000) 15.733 10.243 ( -9.209 -5.822 -0.000) 10.895 10.334 ( 8.362 9.839 0.000) 12.913 10.608 ( 1.299 2.481 0.000) 2.801 10.844 ( -5.099 -0.873 -0.000) 5.173 10.943 ( -2.883 -5.326 -0.000) 6.056 25.348 ( 3.934 -1.230 0.000) 4.122 25.625 ( 0.933 -4.364 -0.000) 4.462 25.913 ( 1.809 -8.452 -0.000) 8.644 26.020 ( 3.870 4.563 0.000) 5.984 26.200 ( 2.260 12.594 0.000) 12.795 26.891 ( -9.256 -2.577 -0.000) 9.608 27.533 ( 0.895 2.113 0.000) 2.295 27.637 ( -0.331 -2.315 -0.000) 2.338 ======================= Grid point 44 (34/105) ======================= q-point: ( 0.06 -0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -4.803 -5.628 -0.000) 7.399 1.389 ( 3.479 5.377 0.000) 6.405 1.720 ( -3.067 -4.990 -0.000) 5.857 1.764 ( 1.361 -1.980 0.000) 2.403 1.823 ( 2.043 4.318 0.000) 4.777 1.878 ( 1.363 3.913 0.000) 4.144 2.151 ( -2.739 -6.576 -0.000) 7.124 2.216 ( 3.185 5.626 0.000) 6.465 2.512 ( 3.471 -0.026 0.000) 3.471 2.599 ( -3.366 0.935 -0.000) 3.493 3.049 ( 2.264 0.214 0.000) 2.274 3.051 ( -1.425 -3.626 -0.000) 3.896 4.233 ( 5.624 -23.898 -0.000) 24.551 4.808 ( -2.818 20.569 0.000) 20.762 5.009 ( 17.065 3.681 0.000) 17.458 5.069 ( -5.057 -7.274 -0.000) 8.859 5.250 ( 11.232 1.279 0.000) 11.305 5.598 ( -19.440 -2.784 -0.000) 19.638 7.945 ( 8.213 -3.760 0.000) 9.033 8.219 ( -7.923 4.945 -0.000) 9.340 9.150 ( 10.923 8.841 0.000) 14.052 9.184 ( -12.165 -11.456 -0.000) 16.710 9.773 ( 11.536 4.367 0.000) 12.335 9.939 ( -11.230 -2.727 -0.000) 11.556 10.572 ( 6.431 1.365 0.000) 6.574 10.684 ( -3.975 -10.766 -0.000) 11.477 10.737 ( -7.707 1.685 -0.000) 7.889 10.834 ( 3.471 10.230 0.000) 10.803 25.465 ( 5.960 2.264 0.000) 6.376 25.532 ( -3.068 -1.249 -0.000) 3.313 25.838 ( 6.447 -7.963 0.000) 10.245 26.090 ( -2.508 3.170 -0.000) 4.042 26.547 ( 5.871 9.792 0.000) 11.417 26.578 ( -11.264 -6.767 -0.000) 13.140 27.568 ( -0.779 -2.834 -0.000) 2.939 27.604 ( 1.190 2.292 0.000) 2.583 ======================= Grid point 46 (35/105) ======================= q-point: ( 0.06 -0.06 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -5.973 -5.906 -0.000) 8.400 1.451 ( -3.379 -7.105 -0.000) 7.868 1.601 ( 2.224 1.631 0.000) 2.758 1.823 ( 5.028 2.389 0.000) 5.567 1.937 ( -0.704 4.784 0.000) 4.835 2.014 ( -0.126 -3.126 -0.000) 3.129 2.055 ( 3.309 7.301 0.000) 8.016 2.341 ( -3.088 -0.404 -0.000) 3.114 2.497 ( -3.336 1.514 -0.000) 3.664 2.500 ( 0.021 -3.907 -0.000) 3.907 2.924 ( -1.596 -5.190 -0.000) 5.430 3.082 ( 2.649 -2.035 0.000) 3.341 3.868 ( 4.779 -20.336 -0.000) 20.890 4.719 ( -16.263 -9.162 -0.000) 18.667 5.115 ( -2.433 15.263 0.000) 15.456 5.239 ( -8.159 -0.278 -0.000) 8.164 5.379 ( 12.768 3.135 0.000) 13.147 5.591 ( 15.228 2.392 0.000) 15.415 7.988 ( 5.305 -6.328 0.000) 8.258 8.089 ( -11.607 2.375 -0.000) 11.848 8.731 ( -9.719 -8.908 -0.000) 13.184 9.570 ( 13.908 6.534 0.000) 15.366 9.655 ( -12.042 -1.794 -0.000) 12.175 10.133 ( 12.319 5.512 0.000) 13.496 10.296 ( -9.331 -11.688 -0.000) 14.956 10.658 ( -3.636 1.833 -0.000) 4.072 10.750 ( 6.030 3.395 0.000) 6.920 11.055 ( 0.517 6.403 0.000) 6.424 25.474 ( -3.894 2.743 -0.000) 4.763 25.654 ( 4.660 3.668 0.000) 5.930 25.814 ( 6.855 -8.246 0.000) 10.723 26.101 ( -0.282 2.068 0.000) 2.087 26.165 ( -12.300 -8.331 -0.000) 14.856 26.811 ( 3.813 5.874 0.000) 7.003 27.503 ( -0.471 -1.857 -0.000) 1.916 27.664 ( 0.800 1.195 0.000) 1.438 ======================= Grid point 47 (36/105) ======================= q-point: ( 0.06 -0.06 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -8.013 -6.616 -0.000) 10.391 1.121 ( -7.297 -11.756 -0.000) 13.836 1.692 ( 0.570 0.646 0.000) 0.862 1.986 ( -16.270 -3.913 -0.000) 16.734 1.989 ( 1.709 1.191 0.000) 2.083 2.010 ( 1.774 1.938 0.000) 2.628 2.083 ( 5.086 8.058 0.000) 9.529 2.300 ( 5.980 0.443 0.000) 5.997 2.398 ( -0.229 -4.245 -0.000) 4.251 2.583 ( 2.965 4.685 0.000) 5.544 2.764 ( -1.468 -6.932 -0.000) 7.086 3.063 ( 0.976 -3.583 -0.000) 3.714 3.629 ( 2.528 -10.061 -0.000) 10.374 4.104 ( -20.868 -9.155 -0.000) 22.788 5.134 ( -4.380 -1.002 -0.000) 4.493 5.371 ( 2.953 8.988 0.000) 9.461 5.671 ( 10.489 1.225 0.000) 10.561 5.946 ( 11.567 5.174 0.000) 12.672 7.842 ( -12.930 -1.437 -0.000) 13.010 7.917 ( 3.259 -7.096 -0.000) 7.809 8.432 ( -7.108 -3.501 -0.000) 7.923 9.333 ( -12.670 -4.819 -0.000) 13.555 9.863 ( -10.753 -8.696 -0.000) 13.829 9.988 ( 14.639 4.701 0.000) 15.375 10.482 ( 9.952 5.224 0.000) 11.240 10.671 ( 0.487 2.491 0.000) 2.538 10.951 ( 4.536 4.934 0.000) 6.702 11.121 ( -2.149 1.803 -0.000) 2.805 25.473 ( -2.816 3.217 -0.000) 4.275 25.721 ( -2.270 -9.730 -0.000) 9.991 25.745 ( -0.105 0.528 0.000) 0.538 25.812 ( -4.648 -3.122 -0.000) 5.599 26.219 ( 6.432 2.692 0.000) 6.973 26.970 ( 1.785 4.478 0.000) 4.821 27.476 ( 0.128 -0.549 -0.000) 0.564 27.688 ( 0.364 0.135 0.000) 0.388 ======================= Grid point 48 (37/105) ======================= q-point: ( 0.06 -0.06 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -10.005 -5.623 -0.000) 11.477 0.684 ( -9.038 -13.547 -0.000) 16.285 1.313 ( -24.513 -7.222 -0.000) 25.555 1.849 ( 1.425 1.365 0.000) 1.973 2.026 ( 0.369 0.752 0.000) 0.838 2.064 ( -0.011 0.257 0.000) 0.257 2.343 ( 5.235 -6.443 0.000) 8.301 2.366 ( 4.227 2.985 0.000) 5.175 2.399 ( 6.166 4.013 0.000) 7.357 2.596 ( -2.297 -1.951 -0.000) 3.014 2.837 ( 5.452 7.965 0.000) 9.653 2.974 ( -1.933 -3.851 -0.000) 4.309 3.437 ( -10.564 -6.053 -0.000) 12.175 3.610 ( -8.032 -4.594 -0.000) 9.253 4.959 ( -6.794 -3.792 -0.000) 7.781 5.612 ( 10.424 0.621 0.000) 10.443 5.863 ( 2.273 4.748 0.000) 5.264 6.283 ( 10.001 4.817 0.000) 11.100 7.504 ( -12.811 -4.467 -0.000) 13.567 7.895 ( 4.698 -3.178 0.000) 5.672 8.268 ( -5.235 0.480 -0.000) 5.257 8.956 ( -11.685 -5.422 -0.000) 12.881 9.508 ( -10.074 -4.589 -0.000) 11.070 10.361 ( 13.216 2.970 0.000) 13.546 10.749 ( 4.836 5.377 0.000) 7.232 10.759 ( 2.713 1.990 0.000) 3.364 11.052 ( -3.357 -2.303 -0.000) 4.071 11.124 ( 3.310 3.102 0.000) 4.536 25.421 ( -2.885 -3.113 -0.000) 4.245 25.545 ( -2.024 0.620 -0.000) 2.117 25.699 ( -3.336 -2.286 -0.000) 4.044 25.722 ( 0.077 -1.720 -0.000) 1.722 26.412 ( 7.581 0.425 0.000) 7.593 27.090 ( 0.007 5.325 0.000) 5.325 27.478 ( 0.449 0.050 0.000) 0.452 27.694 ( 0.348 -0.059 0.000) 0.353 ======================= Grid point 50 (38/105) ======================= q-point: (-0.18 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 5.681 -7.673 -7.974) 12.439 0.368 ( -4.800 -9.468 -8.446) 13.565 0.911 ( -0.113 -19.409 -20.587) 28.294 1.900 ( 1.522 3.859 0.804) 4.225 1.981 ( -0.268 -0.633 4.571) 4.622 2.000 ( -0.049 -2.166 3.671) 4.263 2.228 ( -0.982 1.442 8.815) 8.986 2.341 ( -0.261 -3.164 11.443) 11.875 2.521 ( 0.096 3.767 -1.546) 4.073 2.596 ( -0.184 -1.002 0.885) 1.349 2.958 ( 1.467 -0.429 -1.696) 2.283 3.001 ( 1.229 4.167 -1.914) 4.747 3.219 ( -5.807 -8.001 -2.252) 10.139 3.288 ( 3.123 -9.084 4.561) 10.633 4.723 ( 0.224 -1.362 2.626) 2.966 5.738 ( -1.568 5.276 10.507) 11.861 5.867 ( 1.556 -5.906 9.565) 11.349 6.359 ( 0.017 3.457 12.514) 12.983 7.512 ( 0.355 11.835 -20.261) 23.467 8.043 ( -1.135 0.532 -8.715) 8.805 8.298 ( 0.303 -5.932 -5.195) 7.891 8.811 ( 0.055 -5.074 -10.243) 11.431 9.331 ( 0.040 -6.925 -5.513) 8.852 10.509 ( -0.180 6.503 11.370) 13.099 10.827 ( -0.497 3.244 -0.553) 3.328 10.900 ( 0.379 -2.937 -0.593) 3.020 10.958 ( 0.261 1.625 -2.200) 2.747 11.183 ( -0.040 1.713 2.619) 3.129 25.379 ( 0.649 0.277 7.983) 8.014 25.453 ( -1.000 -5.894 9.114) 10.899 25.628 ( -0.383 10.772 -14.400) 17.987 25.851 ( 1.090 1.160 -8.694) 8.839 26.546 ( 1.060 4.976 -1.489) 5.301 27.088 ( -1.230 -7.189 4.748) 8.703 27.494 ( -0.030 0.441 -0.553) 0.708 27.689 ( 0.010 0.236 0.981) 1.009 ======================= Grid point 53 (39/105) ======================= q-point: (-0.18 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 8.321 4.621 0.163) 9.519 1.155 ( 7.439 11.245 -2.801) 13.770 1.649 ( -3.983 -0.575 3.281) 5.193 1.867 ( 4.116 1.383 4.110) 5.979 1.974 ( -2.326 -2.141 1.649) 3.566 2.073 ( 1.342 -4.703 0.095) 4.892 2.155 ( 3.974 2.042 -3.890) 5.924 2.289 ( -3.219 -2.459 1.028) 4.180 2.377 ( -0.726 3.127 -1.529) 3.556 2.643 ( 1.609 -0.394 -1.239) 2.068 2.809 ( -1.563 3.443 -5.225) 6.449 3.028 ( -1.301 2.424 3.152) 4.183 3.640 ( -2.012 11.627 -1.624) 11.911 4.054 ( 22.346 6.751 4.752) 23.822 4.881 ( 3.436 0.208 8.972) 9.610 5.419 ( -11.612 2.206 9.345) 15.068 5.860 ( 0.705 -9.585 -16.200) 18.836 5.916 ( -10.313 -4.452 2.428) 11.493 7.686 ( 9.863 2.177 9.417) 13.809 8.035 ( -3.124 5.577 -9.455) 11.413 8.517 ( 5.559 3.264 -5.105) 8.223 9.365 ( 11.485 5.885 -2.013) 13.061 9.824 ( 2.585 1.298 1.018) 3.066 10.013 ( -4.526 -0.418 -0.006) 4.545 10.508 ( -9.674 -3.801 -2.514) 10.694 10.682 ( -1.546 -2.247 -0.804) 2.844 10.942 ( -3.686 -4.587 1.213) 6.009 11.093 ( 1.718 -2.254 2.094) 3.524 25.439 ( 3.577 -1.290 2.608) 4.611 25.662 ( -3.824 4.649 5.734) 8.313 25.748 ( 8.426 3.178 2.432) 9.328 25.818 ( 0.800 2.117 -4.307) 4.865 26.272 ( -6.230 -1.997 -4.508) 7.945 26.998 ( -1.447 -4.683 -1.720) 5.194 27.480 ( -0.055 0.577 -0.453) 0.735 27.678 ( -0.294 -0.106 0.837) 0.893 ======================= Grid point 54 (40/105) ======================= q-point: (-0.18 -0.07 0.51) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 5.197 5.686 2.463) 8.087 1.471 ( 2.339 5.003 -1.332) 5.681 1.562 ( -0.891 1.302 1.940) 2.500 1.820 ( -5.194 -1.902 1.153) 5.650 1.917 ( 1.267 -0.931 3.694) 4.015 1.972 ( 0.959 -3.928 -0.206) 4.049 2.086 ( -2.254 -5.790 -1.953) 6.513 2.256 ( -2.762 -1.347 6.408) 7.107 2.541 ( 6.059 4.015 -7.949) 10.771 2.677 ( 1.641 0.569 -7.767) 7.958 2.899 ( 0.660 4.239 1.593) 4.576 3.030 ( -2.704 1.897 4.550) 5.623 3.912 ( -4.267 20.885 -4.361) 21.758 4.655 ( 19.790 5.286 6.486) 21.487 4.937 ( 2.520 -1.179 5.479) 6.145 5.198 ( -7.437 -4.025 6.305) 10.549 5.588 ( -10.422 -4.088 -0.080) 11.195 5.649 ( -3.263 -7.009 -15.866) 17.649 7.900 ( 3.541 3.016 9.165) 10.277 8.092 ( 1.593 1.091 -3.788) 4.252 8.766 ( 7.487 8.199 -2.138) 11.307 9.551 ( -10.891 -7.154 1.096) 13.077 9.694 ( 10.484 3.373 -1.915) 11.179 10.169 ( -8.540 -3.620 -1.763) 9.442 10.290 ( 4.915 8.252 -1.293) 9.691 10.662 ( 3.422 -1.599 -0.554) 3.818 10.765 ( -5.211 -2.810 -0.787) 5.972 11.015 ( -0.568 -6.610 3.253) 7.389 25.473 ( 3.437 -1.971 0.218) 3.968 25.622 ( -3.971 -0.445 2.779) 4.867 25.819 ( -4.042 4.515 -0.150) 6.061 26.072 ( 5.408 1.440 2.370) 6.078 26.191 ( 3.040 5.604 -3.005) 7.048 26.838 ( -2.849 -6.761 -1.794) 7.553 27.509 ( 0.506 1.812 -0.561) 1.963 27.658 ( -0.664 -1.091 0.539) 1.386 ======================= Grid point 55 (41/105) ======================= q-point: ( 0.82 -0.07 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -1.210 5.159 5.014) 7.295 1.404 ( 2.112 -4.438 0.066) 4.915 1.724 ( 1.288 4.219 -0.024) 4.412 1.752 ( -1.854 4.294 0.519) 4.706 1.825 ( -1.748 -5.755 -0.236) 6.019 1.902 ( 0.402 -4.763 -1.562) 5.028 2.097 ( 3.243 4.567 3.436) 6.572 2.129 ( -1.814 -3.944 4.784) 6.460 2.634 ( -3.184 0.846 -8.178) 8.816 2.710 ( 1.782 -1.159 -8.248) 8.517 2.976 ( -1.881 2.433 5.399) 6.213 3.023 ( 1.039 0.837 3.374) 3.629 4.293 ( -5.256 22.975 -5.234) 24.142 4.804 ( -6.557 -3.831 8.742) 11.580 4.843 ( -3.588 -10.940 0.927) 11.551 5.034 ( -0.958 -3.632 2.549) 4.539 5.404 ( -2.916 3.440 -7.749) 8.966 5.655 ( 13.418 -0.437 -4.171) 14.058 7.902 ( -8.456 3.359 3.079) 9.606 8.170 ( 8.266 -4.294 3.523) 9.959 9.075 ( -5.460 3.691 3.811) 7.613 9.255 ( 6.046 -1.508 -3.588) 7.191 9.820 ( -10.482 -2.187 -3.382) 11.229 9.996 ( 9.396 1.408 -4.162) 10.373 10.539 ( -3.585 3.210 2.571) 5.456 10.687 ( 1.127 5.592 0.088) 5.705 10.731 ( 5.597 -4.098 0.317) 6.944 10.814 ( -0.923 -7.187 1.371) 7.374 25.477 ( -4.443 -1.009 -0.681) 4.607 25.540 ( 2.118 0.231 -0.779) 2.269 25.839 ( -5.509 7.243 -0.284) 9.104 26.074 ( 2.745 -3.981 1.397) 5.033 26.468 ( -2.498 2.547 3.748) 5.174 26.652 ( 6.248 -4.175 -3.235) 8.181 27.566 ( -0.107 2.233 0.174) 2.243 27.609 ( -0.282 -1.752 -0.367) 1.812 ======================= Grid point 58 (42/105) ======================= q-point: (-0.18 -0.07 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -4.233 -7.527 3.672) 9.384 1.520 ( 2.700 4.619 1.106) 5.463 1.582 ( -5.964 -8.818 -1.186) 10.711 1.782 ( -2.082 4.723 4.992) 7.180 1.870 ( 2.471 3.355 -0.686) 4.223 1.921 ( 1.918 2.030 -1.459) 3.151 2.063 ( 1.711 0.185 0.303) 1.748 2.281 ( 3.577 2.648 4.311) 6.196 2.498 ( -4.834 -3.258 -8.646) 10.428 2.676 ( -1.454 -1.792 -7.021) 7.391 2.934 ( -1.974 -1.848 3.200) 4.190 3.065 ( -0.487 1.185 4.487) 4.666 4.290 ( -19.533 -1.427 11.728) 22.828 4.436 ( 1.543 -21.786 -2.791) 22.018 4.761 ( -6.985 10.712 -8.422) 15.312 4.986 ( -1.174 9.423 4.080) 10.335 5.563 ( 4.862 6.718 -8.240) 11.690 5.960 ( 14.710 -2.373 2.899) 15.179 7.753 ( -7.990 -0.438 4.468) 9.165 8.212 ( 2.991 -3.301 -0.356) 4.469 8.778 ( -7.564 -7.929 -1.442) 11.052 9.548 ( -8.953 -3.199 -4.756) 10.631 9.622 ( 10.448 8.351 3.325) 13.782 10.271 ( 7.952 4.413 -0.462) 9.106 10.331 ( -6.910 -8.056 0.129) 10.614 10.616 ( -0.294 -1.257 -1.609) 2.063 10.846 ( 3.124 2.813 0.297) 4.215 10.918 ( 4.746 2.930 1.636) 5.813 25.371 ( -3.513 0.251 -1.924) 4.013 25.621 ( -0.450 4.259 0.289) 4.292 25.878 ( -1.713 1.684 3.392) 4.156 26.044 ( -2.089 1.613 -2.541) 3.664 26.187 ( -4.905 -10.980 0.869) 12.058 26.897 ( 9.320 2.567 -0.230) 9.669 27.532 ( -1.099 -1.594 0.122) 1.940 27.638 ( 0.471 1.673 -0.083) 1.740 ======================= Grid point 59 (43/105) ======================= q-point: (-0.18 -0.07 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -5.699 -9.651 2.628) 11.512 1.213 ( -10.153 -10.173 -3.036) 14.690 1.646 ( 1.098 3.783 -0.072) 3.940 1.815 ( -2.573 -0.860 4.166) 4.971 1.932 ( -1.219 -0.093 -0.514) 1.326 2.028 ( 3.739 3.991 0.028) 5.469 2.157 ( -1.596 -3.714 -4.730) 6.223 2.232 ( 1.053 5.177 1.520) 5.497 2.456 ( 1.247 -1.831 -0.233) 2.228 2.670 ( 1.843 2.546 -4.078) 5.149 2.814 ( -4.192 -3.594 0.625) 5.557 3.047 ( -2.131 0.194 3.489) 4.093 3.809 ( -14.424 -7.179 8.493) 18.214 4.011 ( -0.264 -20.041 -0.607) 20.052 4.752 ( -4.692 3.896 4.824) 7.776 5.319 ( -0.085 17.281 -6.990) 18.641 5.800 ( 5.491 4.175 -1.629) 7.087 6.134 ( 8.567 -3.305 5.957) 10.946 7.571 ( -5.097 -3.479 4.049) 7.381 8.170 ( -0.842 -2.113 -5.996) 6.413 8.502 ( -4.375 -6.238 -5.201) 9.225 9.287 ( -7.232 -6.209 -3.897) 10.298 9.855 ( -1.791 -6.430 2.708) 7.203 10.073 ( 3.000 2.879 2.382) 4.792 10.564 ( 5.698 7.169 -1.111) 9.225 10.661 ( 1.599 3.006 -2.534) 4.244 10.956 ( 3.616 0.622 0.881) 3.773 11.033 ( 1.418 2.448 1.434) 3.172 25.346 ( -1.337 1.826 0.381) 2.295 25.681 ( -2.087 3.065 -0.997) 3.840 25.720 ( -6.132 -4.844 -0.177) 7.816 25.904 ( -0.877 -8.643 5.133) 10.090 26.177 ( 0.451 8.950 -4.301) 9.940 27.087 ( 7.216 -0.773 -0.387) 7.268 27.492 ( -0.352 -0.695 -0.257) 0.820 27.668 ( -0.077 0.955 0.577) 1.118 ======================= Grid point 61 (44/105) ======================= q-point: (-0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 3.409 -6.383 -7.137) 10.164 0.967 ( -3.844 -9.337 -6.172) 11.834 1.543 ( -1.091 7.270 5.366) 9.101 1.845 ( 2.309 -2.279 -0.293) 3.258 1.892 ( -0.218 1.313 -0.078) 1.333 2.021 ( -0.459 -2.954 3.092) 4.301 2.116 ( -1.513 -5.012 2.337) 5.734 2.292 ( 2.534 -5.555 -2.131) 6.467 2.495 ( -5.055 -0.466 0.192) 5.080 2.606 ( 1.841 0.688 -2.744) 3.376 2.779 ( 2.409 3.237 2.868) 4.951 2.982 ( 0.123 3.379 0.527) 3.422 3.413 ( 2.472 -3.957 3.263) 5.694 3.930 ( -2.638 -22.014 0.493) 22.177 4.613 ( 0.661 3.261 0.412) 3.352 5.246 ( -5.673 8.799 4.326) 11.328 5.833 ( 4.722 3.332 8.152) 9.993 6.171 ( 0.773 -10.298 10.170) 14.494 7.674 ( 0.557 2.116 -13.506) 13.682 8.132 ( -1.954 3.518 -4.065) 5.720 8.557 ( 0.488 -0.798 -5.880) 5.954 9.289 ( -0.956 -6.275 -8.920) 10.948 9.901 ( 2.629 -8.925 -2.925) 9.753 9.963 ( -1.448 3.688 7.733) 8.689 10.608 ( 0.189 9.232 1.536) 9.361 10.741 ( -0.943 4.512 -1.000) 4.716 10.967 ( -0.035 -0.353 5.568) 5.579 11.142 ( 0.376 -0.982 -2.607) 2.811 25.295 ( 0.302 -3.016 4.311) 5.270 25.527 ( -4.304 -2.317 2.176) 5.351 25.677 ( 1.181 -3.906 -1.152) 4.241 25.899 ( 1.971 3.469 -3.681) 5.429 26.267 ( 2.580 9.695 -3.970) 10.789 27.212 ( -1.478 -2.695 1.930) 3.629 27.489 ( -0.120 0.460 -0.785) 0.918 27.647 ( -0.005 0.296 1.232) 1.267 ======================= Grid point 62 (45/105) ======================= q-point: (-0.42 -0.08 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.214 -7.456 -10.986) 13.279 0.838 ( 11.255 -7.799 -5.203) 14.648 1.649 ( 1.634 -0.838 0.680) 1.958 1.705 ( 1.370 -5.693 -2.922) 6.544 1.914 ( 3.815 -3.923 5.767) 7.950 2.032 ( -1.104 -0.933 -1.082) 1.806 2.055 ( 3.069 2.157 4.927) 6.193 2.236 ( 0.277 -4.108 5.555) 6.914 2.454 ( -1.134 2.774 -2.553) 3.936 2.619 ( -0.463 0.224 -1.493) 1.579 2.920 ( 3.090 3.351 2.730) 5.313 2.977 ( -2.853 -2.176 1.907) 4.064 3.408 ( 4.722 -6.831 3.819) 9.140 3.509 ( 3.304 -12.942 -2.351) 13.562 4.722 ( 2.960 0.826 -0.907) 3.204 5.298 ( -0.208 6.505 12.497) 14.090 5.898 ( -0.972 -13.543 12.022) 18.135 5.991 ( 0.649 3.876 10.328) 11.051 7.708 ( -5.060 4.858 -16.953) 18.347 8.237 ( 4.667 3.308 -8.433) 10.191 8.539 ( 0.148 -2.468 -7.753) 8.138 9.185 ( 2.443 -4.261 -9.227) 10.453 9.725 ( 3.092 -10.147 -8.448) 13.560 10.047 ( -3.120 6.000 13.875) 15.435 10.754 ( -0.580 5.177 -1.935) 5.557 10.826 ( -3.055 5.073 1.338) 6.071 10.950 ( 0.116 0.763 4.064) 4.137 11.102 ( -2.061 -0.990 -0.352) 2.314 25.263 ( 1.332 -2.438 5.050) 5.764 25.393 ( 2.056 -4.628 8.406) 9.814 25.712 ( 0.561 3.627 -7.162) 8.047 25.961 ( -2.998 1.592 -5.239) 6.243 26.517 ( 2.007 6.167 -4.492) 7.889 27.070 ( -2.963 -2.959 2.940) 5.117 27.498 ( -0.096 0.498 -1.083) 1.196 27.654 ( 0.025 0.239 1.696) 1.713 ======================= Grid point 63 (46/105) ======================= q-point: (-0.42 -0.08 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 5.303 -3.273 -11.630) 13.194 0.898 ( 10.626 -8.528 -6.697) 15.182 1.657 ( 3.459 -3.598 -0.375) 5.005 1.695 ( 3.517 0.695 -1.259) 3.799 1.947 ( 0.828 -3.210 2.982) 4.459 2.002 ( 2.510 -0.730 0.567) 2.675 2.076 ( -0.749 -1.805 4.433) 4.845 2.192 ( 2.191 -0.124 4.959) 5.422 2.511 ( 1.066 1.862 -1.002) 2.368 2.643 ( -0.160 -0.400 -1.913) 1.961 2.806 ( -4.338 -1.825 3.135) 5.654 3.009 ( 0.078 1.311 2.113) 2.487 3.323 ( 3.440 -2.901 5.856) 7.386 3.606 ( 16.234 -4.852 -2.150) 17.079 4.706 ( -1.666 -2.726 -2.881) 4.302 5.507 ( -1.930 0.315 9.009) 9.219 5.637 ( 4.455 -0.729 16.749) 17.347 6.054 ( 1.016 0.870 9.073) 9.171 7.689 ( -5.093 4.341 -16.007) 17.350 8.288 ( -1.791 -4.328 -7.167) 8.561 8.521 ( 1.979 0.234 -8.105) 8.346 9.210 ( 5.435 -2.510 -11.947) 13.363 9.690 ( 8.202 -2.973 -6.438) 10.842 10.055 ( -5.308 3.006 14.344) 15.587 10.756 ( -6.123 0.902 1.966) 6.494 10.827 ( -3.187 2.902 -0.223) 4.316 10.966 ( -0.764 -0.922 0.613) 1.345 11.087 ( 0.421 2.674 0.506) 2.754 25.247 ( 2.081 -1.294 4.819) 5.407 25.454 ( 8.293 -2.039 8.010) 11.708 25.743 ( -3.534 -1.799 -8.677) 9.540 25.890 ( -4.316 3.934 -4.330) 7.270 26.458 ( -8.601 -1.431 -4.132) 9.649 27.118 ( 4.478 2.603 3.421) 6.207 27.501 ( -0.386 0.113 -0.916) 1.000 27.654 ( -0.239 -0.020 1.525) 1.544 ======================= Grid point 66 (47/105) ======================= q-point: ( 0.58 -0.08 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -5.211 2.406 1.357) 5.898 1.429 ( -1.542 8.962 1.892) 9.288 1.515 ( 5.089 3.246 -2.803) 6.655 1.696 ( -2.062 -2.174 -0.615) 3.059 1.901 ( 2.789 -0.006 0.029) 2.789 2.049 ( -0.831 -2.779 3.386) 4.458 2.142 ( 0.982 -3.187 1.982) 3.880 2.267 ( -1.383 -3.646 -3.900) 5.515 2.587 ( -0.751 2.360 4.986) 5.567 2.759 ( -4.483 2.185 2.684) 5.663 2.819 ( 1.179 4.979 -0.198) 5.121 2.896 ( 2.432 1.597 -6.981) 7.563 3.644 ( -3.831 12.854 -11.885) 17.921 4.519 ( -20.118 2.805 4.984) 20.915 4.769 ( 2.212 9.163 6.297) 11.336 5.007 ( 18.806 -1.506 4.006) 19.287 5.671 ( 0.998 -3.043 -4.579) 5.588 6.105 ( -5.071 -10.213 -8.892) 14.460 7.652 ( -1.439 2.004 6.540) 6.990 8.219 ( 3.382 2.510 -1.615) 4.510 8.669 ( -1.954 5.345 2.187) 6.096 9.527 ( -4.450 3.831 6.087) 8.458 9.709 ( 4.450 -4.615 -3.306) 7.213 10.166 ( -9.865 2.038 -3.478) 10.657 10.361 ( 8.955 -1.807 -3.223) 9.688 10.696 ( 0.848 -0.473 3.125) 3.273 10.858 ( 3.146 -3.316 -2.484) 5.202 11.051 ( -1.427 -5.172 2.534) 5.934 25.384 ( -2.599 1.547 3.149) 4.366 25.607 ( 5.726 0.698 1.458) 5.950 25.769 ( -5.502 0.233 -4.396) 7.046 26.002 ( -2.487 7.116 1.389) 7.665 26.109 ( 3.413 1.718 0.917) 3.929 27.067 ( 1.062 -8.030 -1.701) 8.277 27.502 ( -0.027 0.901 -0.490) 1.026 27.648 ( 0.082 -0.062 0.210) 0.234 ======================= Grid point 67 (48/105) ======================= q-point: ( 0.58 -0.08 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -4.792 5.583 4.468) 8.608 1.443 ( -9.364 5.708 3.652) 11.559 1.570 ( 2.565 -3.163 -1.820) 4.461 1.768 ( 3.378 2.210 -3.060) 5.065 1.933 ( -1.322 -5.348 -0.147) 5.511 1.992 ( 3.952 0.119 1.982) 4.423 2.119 ( 2.893 -1.285 -3.189) 4.493 2.200 ( 1.333 -2.525 -3.281) 4.350 2.617 ( -5.245 5.798 9.285) 12.138 2.675 ( -3.727 1.058 -3.329) 5.108 2.929 ( 1.067 1.247 3.894) 4.226 2.942 ( -0.096 -0.465 -6.251) 6.269 3.925 ( -5.732 19.001 -11.373) 22.874 4.141 ( -17.579 4.167 8.954) 20.163 4.896 ( -3.092 4.033 4.650) 6.889 5.194 ( 2.903 -7.490 -6.919) 10.602 5.690 ( 5.005 -6.128 -8.502) 11.614 5.913 ( 6.586 -0.516 1.644) 6.808 7.652 ( -3.712 3.471 1.629) 5.337 8.277 ( 1.878 -3.206 5.745) 6.842 8.719 ( -5.216 5.828 5.907) 9.801 9.493 ( -2.928 3.324 -3.560) 5.683 9.720 ( 2.173 -3.764 0.218) 4.351 10.075 ( -4.430 5.233 -1.336) 6.986 10.484 ( 6.396 -3.783 2.122) 7.728 10.665 ( 0.711 -1.805 0.426) 1.986 10.878 ( -1.089 -5.782 0.919) 5.955 10.954 ( 6.015 -0.450 -2.152) 6.404 25.397 ( -0.693 3.451 0.092) 3.521 25.599 ( -5.808 -3.072 -6.760) 9.427 25.724 ( 1.258 3.186 -1.522) 3.748 26.006 ( -6.111 3.898 2.095) 7.545 26.316 ( 6.769 0.335 8.014) 10.495 26.932 ( 2.689 -5.737 -1.840) 6.598 27.512 ( -0.847 0.749 0.659) 1.308 27.648 ( 0.358 -0.328 -1.088) 1.191 ======================= Grid point 68 (49/105) ======================= q-point: ( 0.58 -0.08 -0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -1.146 3.619 4.153) 5.626 1.377 ( -10.142 6.355 3.141) 12.374 1.472 ( -2.817 -3.610 -1.344) 4.772 1.810 ( 1.236 -6.531 -2.063) 6.959 1.851 ( 1.133 1.929 -1.030) 2.463 2.064 ( 3.480 -0.491 -3.339) 4.847 2.126 ( 0.090 0.471 -3.450) 3.484 2.277 ( 5.722 0.251 1.576) 5.941 2.577 ( -3.843 1.834 -0.252) 4.266 2.717 ( -2.301 6.436 3.443) 7.653 2.839 ( -4.363 -3.244 -4.651) 7.154 2.924 ( -0.865 -2.862 4.538) 5.434 3.707 ( -13.202 -1.867 9.266) 16.237 4.442 ( -2.588 24.304 -5.348) 25.020 4.824 ( -8.008 0.220 -4.421) 9.150 4.912 ( -1.153 -14.512 -6.074) 15.774 5.689 ( 5.047 -3.230 -1.984) 6.312 6.159 ( 10.130 0.606 5.592) 11.587 7.647 ( -2.097 1.761 -3.626) 4.544 8.198 ( -3.060 -1.500 7.035) 7.817 8.678 ( -5.163 1.140 2.858) 6.010 9.529 ( -5.924 5.609 -4.191) 9.172 9.692 ( 6.657 -4.379 -0.939) 8.023 10.179 ( -0.900 8.337 3.373) 9.039 10.385 ( 0.385 -10.403 4.724) 11.432 10.676 ( -0.254 0.828 -0.966) 1.298 10.836 ( 4.798 -1.172 -1.879) 5.284 11.069 ( 4.653 -0.200 -1.505) 4.894 25.440 ( -2.860 -2.504 -6.319) 7.375 25.488 ( -0.361 5.339 -1.626) 5.592 25.822 ( 1.181 2.931 -0.683) 3.233 25.917 ( -6.221 1.388 1.276) 6.501 26.239 ( -2.972 -8.804 5.916) 11.015 27.034 ( 8.047 1.784 0.727) 8.274 27.500 ( -0.939 0.162 1.047) 1.416 27.648 ( 0.052 -0.106 -1.191) 1.197 ======================= Grid point 70 (50/105) ======================= q-point: ( 0.35 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -2.493 8.899 -1.489) 9.361 1.054 ( 1.978 8.367 3.733) 9.373 1.486 ( 0.897 -6.958 -4.369) 8.265 1.860 ( -2.213 -3.828 -4.421) 6.253 1.926 ( 0.645 -0.559 -2.126) 2.291 2.093 ( -2.960 -1.863 -2.070) 4.064 2.218 ( -1.339 0.141 0.619) 1.482 2.337 ( -2.540 10.662 5.528) 12.275 2.429 ( 6.410 -0.513 2.965) 7.081 2.535 ( -2.122 -1.792 5.120) 5.825 2.786 ( 2.529 -0.083 -1.688) 3.042 2.890 ( 0.699 -3.758 -0.194) 3.827 3.535 ( 5.226 -0.421 -2.952) 6.017 4.375 ( 0.316 17.613 -0.575) 17.625 4.635 ( -6.220 -7.221 -5.328) 10.919 5.030 ( -2.448 -9.670 -1.564) 10.097 5.863 ( 0.079 -6.538 -4.607) 7.999 6.175 ( 4.232 -3.235 14.824) 15.752 7.756 ( -3.712 8.058 -10.462) 13.717 7.959 ( 3.887 1.344 6.402) 7.610 8.561 ( 0.173 5.251 0.387) 5.268 9.379 ( -3.481 8.953 -1.529) 9.727 9.896 ( 2.778 -9.702 0.984) 10.140 10.031 ( 1.192 11.907 3.877) 12.579 10.431 ( 2.328 -9.979 -0.271) 10.250 10.677 ( -1.398 -0.332 -0.470) 1.512 10.993 ( 0.514 -4.636 0.099) 4.665 11.161 ( -1.650 2.999 -1.182) 3.621 25.370 ( -3.734 -2.463 0.607) 4.515 25.538 ( -0.206 2.480 -2.934) 3.847 25.738 ( -2.065 2.572 3.908) 5.114 25.971 ( -1.193 -10.383 2.563) 10.761 26.002 ( 4.924 7.931 -5.181) 10.677 27.243 ( 1.458 -0.235 0.773) 1.667 27.475 ( 0.517 0.271 0.312) 0.662 27.650 ( -0.456 -0.930 -0.232) 1.061 ======================= Grid point 71 (51/105) ======================= q-point: (-0.65 -0.10 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 5.144 3.608 -5.748) 8.515 1.198 ( 6.289 -1.800 -1.171) 6.645 1.434 ( 2.658 -1.215 -1.840) 3.453 1.806 ( -0.222 1.538 0.259) 1.575 1.894 ( -1.487 -2.236 0.065) 2.686 1.995 ( -2.272 -1.177 1.848) 3.156 2.119 ( -1.564 -2.536 1.176) 3.203 2.359 ( -2.729 -4.514 3.807) 6.505 2.498 ( -0.062 4.090 0.936) 4.196 2.645 ( 2.887 5.860 3.510) 7.416 2.777 ( 3.282 -5.569 -4.832) 8.071 2.929 ( 3.121 1.240 0.879) 3.472 3.680 ( 10.273 -2.427 -6.949) 12.638 4.228 ( -0.824 -19.111 9.052) 21.163 4.657 ( 4.005 0.830 -4.270) 5.913 4.967 ( -3.637 10.810 -4.863) 12.399 5.706 ( -5.300 -3.655 5.710) 8.605 6.120 ( 3.661 -8.909 11.288) 14.839 7.812 ( -6.233 6.542 -11.049) 14.273 8.139 ( 7.892 3.940 1.696) 8.982 8.695 ( 2.676 4.435 -4.787) 7.053 9.448 ( -1.635 2.723 -2.307) 3.925 9.729 ( -1.879 -7.011 4.514) 8.548 10.234 ( 1.896 -4.577 -2.836) 5.709 10.385 ( 2.581 8.546 2.482) 9.266 10.664 ( -1.377 2.478 -0.198) 2.842 10.873 ( -2.655 -4.238 1.929) 5.360 11.153 ( -3.556 1.361 -0.992) 3.934 25.282 ( 0.393 -1.919 3.323) 3.857 25.465 ( -2.548 -4.307 1.541) 5.236 25.800 ( 0.689 -5.205 0.422) 5.268 25.880 ( 3.088 6.019 -1.419) 6.912 26.280 ( 4.890 8.987 -4.770) 11.288 27.169 ( -4.971 -2.984 1.023) 5.888 27.504 ( 0.996 0.673 -0.741) 1.412 27.622 ( -0.281 -0.882 1.001) 1.363 ======================= Grid point 73 (52/105) ======================= q-point: (-0.65 -0.10 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 1.277 -3.074 -12.172) 12.619 1.331 ( 11.130 -6.639 -4.273) 13.646 1.532 ( 1.778 3.305 2.953) 4.775 1.798 ( -1.391 -1.395 0.158) 1.976 1.888 ( -0.463 4.082 1.787) 4.480 1.927 ( 0.854 -1.797 7.901) 8.147 2.107 ( -0.227 -1.666 -1.562) 2.295 2.217 ( -1.959 -0.141 1.791) 2.658 2.551 ( 0.128 1.105 1.056) 1.534 2.695 ( 2.237 -4.373 -3.399) 5.973 2.821 ( 2.446 1.787 1.280) 3.289 2.976 ( 1.534 -1.710 0.980) 2.497 3.644 ( 2.788 -18.549 4.655) 19.327 4.021 ( 14.409 -8.331 -5.343) 17.480 4.805 ( 7.446 2.873 -0.887) 8.030 5.110 ( -0.857 3.533 -3.620) 5.130 5.539 ( -5.456 1.248 14.597) 15.634 5.979 ( -0.272 -8.009 6.053) 10.042 7.782 ( -5.396 3.390 -8.192) 10.378 8.385 ( 3.944 5.069 -2.819) 7.014 8.820 ( 3.638 -0.170 -10.692) 11.295 9.414 ( -0.398 -3.473 -1.077) 3.658 9.613 ( -1.325 2.052 9.981) 10.276 10.122 ( 0.337 -6.392 -4.961) 8.098 10.573 ( -2.608 5.237 2.962) 6.558 10.683 ( -3.258 -1.241 0.600) 3.538 10.840 ( 3.282 7.070 0.082) 7.795 11.068 ( -5.570 -0.361 -0.583) 5.612 25.322 ( 5.819 -1.384 3.421) 6.890 25.346 ( 1.192 -3.628 2.917) 4.805 25.750 ( -1.257 0.343 -0.532) 1.407 26.000 ( 1.350 -0.127 -2.784) 3.097 26.556 ( 1.710 7.516 -6.577) 10.132 26.955 ( -6.606 -2.781 3.560) 8.002 27.526 ( 0.242 -0.296 -1.546) 1.593 27.611 ( 0.302 0.116 1.975) 2.001 ======================= Grid point 74 (53/105) ======================= q-point: (-0.65 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 1.448 -1.577 -13.159) 13.332 1.394 ( 7.212 -5.990 -3.457) 9.992 1.551 ( -2.303 -2.413 1.822) 3.801 1.687 ( -3.708 0.365 2.213) 4.333 1.934 ( -0.039 -3.211 2.954) 4.363 2.021 ( 5.734 1.451 7.425) 9.493 2.069 ( 1.616 3.196 -1.351) 3.828 2.248 ( -0.102 1.428 -2.889) 3.224 2.565 ( 0.510 -0.362 5.408) 5.444 2.667 ( 2.799 -3.857 -3.025) 5.645 2.826 ( -0.453 -3.047 -0.681) 3.154 2.937 ( -1.563 -1.700 0.343) 2.335 3.361 ( 3.994 -10.742 5.584) 12.748 4.239 ( 20.338 -7.889 -7.247) 22.987 4.871 ( -0.946 -6.601 -1.107) 6.759 5.224 ( 3.903 7.350 5.066) 9.743 5.518 ( -0.344 -2.047 3.740) 4.278 5.834 ( -2.945 1.663 9.192) 9.794 7.771 ( -1.039 2.340 -4.542) 5.214 8.407 ( -6.160 -1.473 -5.913) 8.665 8.798 ( -0.570 -4.249 -10.427) 11.274 9.425 ( 2.034 4.196 7.173) 8.556 9.726 ( 4.803 1.541 0.079) 5.045 10.001 ( 1.002 -4.637 -2.406) 5.319 10.468 ( -8.693 -0.181 3.472) 9.362 10.704 ( 0.711 4.172 2.826) 5.089 10.919 ( -6.186 -1.436 -0.067) 6.351 11.074 ( 3.206 6.071 -2.703) 7.379 25.327 ( 5.479 -3.779 0.190) 6.659 25.499 ( 8.502 1.710 4.448) 9.746 25.742 ( -4.329 4.046 -0.488) 5.946 25.935 ( 0.324 -6.830 -2.210) 7.185 26.442 ( -10.745 -4.505 -6.560) 13.371 26.997 ( 1.584 7.420 4.021) 8.586 27.506 ( -0.801 -0.579 -0.210) 1.011 27.632 ( 0.919 0.114 0.734) 1.181 ======================= Grid point 75 (54/105) ======================= q-point: ( 0.35 -0.10 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -2.105 -0.761 -6.312) 6.697 1.271 ( -4.765 -9.644 -1.059) 10.809 1.406 ( 0.922 -1.862 -1.019) 2.314 1.774 ( 4.492 2.140 -2.067) 5.388 1.887 ( 0.674 -0.342 -0.086) 0.760 2.109 ( 1.883 -1.228 -0.256) 2.262 2.192 ( 5.300 -0.850 2.108) 5.767 2.297 ( -0.137 4.941 0.513) 4.970 2.552 ( 1.684 -4.581 8.274) 9.606 2.583 ( -5.027 -0.813 2.090) 5.504 2.767 ( -0.487 -1.352 -2.547) 2.924 2.857 ( -1.072 -1.082 -0.850) 1.745 3.386 ( 4.881 1.899 1.258) 5.387 4.499 ( 20.277 -8.864 -2.116) 22.230 4.664 ( -5.110 -5.887 -1.210) 7.889 5.140 ( -11.880 -2.216 -8.034) 14.512 5.657 ( 7.727 5.093 2.167) 9.505 5.963 ( 5.665 5.012 16.938) 18.550 7.817 ( -0.114 2.314 -1.965) 3.038 8.144 ( -9.961 -4.967 -7.230) 13.273 8.675 ( -4.150 -1.954 -3.791) 5.951 9.622 ( 4.998 1.884 -0.992) 5.432 9.654 ( -3.373 -2.938 0.614) 4.515 10.125 ( 8.308 2.505 0.789) 8.713 10.279 ( -9.214 1.565 5.326) 10.757 10.746 ( -3.344 -1.285 -1.918) 4.064 10.862 ( 3.014 2.996 2.971) 5.185 11.193 ( 0.027 1.932 -2.595) 3.235 25.371 ( 5.301 -3.823 -0.085) 6.536 25.660 ( -3.897 -1.724 -3.742) 5.671 25.724 ( 4.698 2.530 1.329) 5.499 25.841 ( 3.643 -3.764 3.907) 6.535 26.142 ( -10.463 -0.928 -4.420) 11.396 27.160 ( 0.618 5.445 2.224) 5.914 27.481 ( -0.743 -0.098 0.313) 0.813 27.645 ( 0.840 -0.585 0.046) 1.025 ======================= Grid point 79 (55/105) ======================= q-point: ( 0.35 -0.10 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -7.224 7.693 0.016) 10.553 0.986 ( -11.516 9.250 3.015) 15.075 1.622 ( -8.563 9.013 6.000) 13.804 1.764 ( 1.272 1.121 -1.700) 2.401 1.972 ( 2.832 1.505 -1.039) 3.371 2.048 ( -1.913 -0.780 -0.947) 2.273 2.169 ( 4.670 -2.561 -2.282) 5.794 2.365 ( 4.288 -1.948 -5.520) 7.256 2.416 ( -1.639 -2.731 0.805) 3.285 2.621 ( -4.547 -0.269 0.495) 4.582 2.824 ( 3.028 0.926 5.807) 6.614 3.030 ( -1.645 0.705 -2.208) 2.842 3.627 ( -10.927 7.889 -0.089) 13.477 3.680 ( -9.845 7.915 -5.852) 13.922 4.804 ( 1.024 3.683 -7.974) 8.843 5.597 ( 6.635 -4.746 -2.070) 8.416 5.837 ( 2.019 -0.450 4.295) 4.767 6.127 ( 2.895 -8.549 -5.969) 10.821 7.507 ( -2.509 6.540 -2.428) 7.414 8.104 ( -4.161 -2.780 8.967) 10.269 8.408 ( -2.758 4.700 7.261) 9.079 9.147 ( -6.930 9.083 4.398) 12.242 9.683 ( -7.573 7.265 2.863) 10.878 10.189 ( 5.811 -8.419 -6.883) 12.330 10.674 ( 3.322 -6.544 2.017) 7.611 10.733 ( 3.688 -2.467 2.295) 4.995 10.993 ( 3.031 -0.892 -2.391) 3.962 11.076 ( 1.386 -0.839 -1.175) 2.002 25.382 ( 1.125 1.832 -3.854) 4.413 25.601 ( -3.523 5.232 1.259) 6.432 25.721 ( -7.933 -0.883 -5.615) 9.759 25.778 ( 3.169 2.268 4.097) 5.654 26.362 ( 7.424 -2.315 3.795) 8.653 27.064 ( -0.609 -4.739 0.752) 4.837 27.483 ( -0.196 -0.155 0.387) 0.460 27.681 ( 0.316 -0.033 -0.891) 0.946 ======================= Grid point 81 (56/105) ======================= q-point: ( 0.11 -0.11 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 0.878 11.912 0.000) 11.944 0.495 ( -0.420 12.297 0.000) 12.304 1.237 ( -0.313 27.156 0.000) 27.157 1.806 ( -4.174 -4.656 -0.000) 6.253 2.021 ( -0.870 -1.079 -0.000) 1.386 2.080 ( 0.941 1.709 0.000) 1.951 2.309 ( 3.076 -2.074 0.000) 3.710 2.347 ( -1.938 -7.124 -0.000) 7.383 2.509 ( 2.353 -4.421 -0.000) 5.008 2.576 ( 1.467 -1.728 0.000) 2.267 2.891 ( -4.445 -4.318 -0.000) 6.197 2.924 ( 0.052 2.267 0.000) 2.268 3.447 ( 6.472 9.765 0.000) 11.716 3.548 ( -1.136 12.056 0.000) 12.109 4.895 ( -1.555 5.866 0.000) 6.069 5.520 ( -5.697 -16.582 -0.000) 17.533 5.994 ( 4.162 1.014 0.000) 4.283 6.365 ( 2.701 -8.421 -0.000) 8.844 7.421 ( -2.809 12.139 0.000) 12.459 7.891 ( 3.121 -2.178 0.000) 3.806 8.273 ( -0.898 3.271 0.000) 3.392 8.896 ( -0.099 11.853 0.000) 11.853 9.462 ( 0.182 11.017 0.000) 11.019 10.408 ( 1.616 -12.657 -0.000) 12.760 10.777 ( -0.321 -3.216 -0.000) 3.232 10.842 ( 1.870 -6.247 -0.000) 6.521 10.981 ( -2.866 4.881 0.000) 5.660 11.164 ( 0.334 -2.679 -0.000) 2.700 25.385 ( 0.031 2.302 0.000) 2.302 25.502 ( -3.183 -1.065 -0.000) 3.357 25.671 ( -2.011 -1.595 -0.000) 2.567 25.733 ( 3.542 7.470 0.000) 8.267 26.379 ( -2.053 -8.788 -0.000) 9.024 27.202 ( 2.905 1.495 0.000) 3.267 27.480 ( 0.077 -0.498 -0.000) 0.504 27.692 ( -0.093 -0.587 -0.000) 0.595 ======================= Grid point 82 (57/105) ======================= q-point: ( 0.11 -0.11 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 4.423 11.733 0.000) 12.539 0.893 ( 12.817 9.930 0.000) 16.213 1.650 ( -0.235 -4.965 -0.000) 4.970 1.759 ( 1.181 19.226 0.000) 19.262 1.964 ( -1.111 -2.444 -0.000) 2.684 2.082 ( -1.704 -2.935 -0.000) 3.393 2.166 ( -3.730 -2.966 -0.000) 4.765 2.247 ( 0.663 -7.024 -0.000) 7.055 2.466 ( 0.160 0.570 0.000) 0.592 2.597 ( 3.828 -5.873 0.000) 7.011 2.804 ( -1.276 3.865 0.000) 4.070 3.000 ( 4.608 -0.502 0.000) 4.636 3.668 ( 7.898 5.937 0.000) 9.881 3.990 ( 2.214 20.595 0.000) 20.714 4.970 ( 1.211 1.288 0.000) 1.768 5.023 ( -3.453 -20.730 -0.000) 21.016 5.922 ( -5.789 -6.982 -0.000) 9.070 6.288 ( 1.597 -3.149 -0.000) 3.531 7.606 ( -1.157 8.900 0.000) 8.975 7.997 ( 7.414 0.452 0.000) 7.428 8.366 ( -0.191 8.345 0.000) 8.347 9.166 ( 2.084 10.211 0.000) 10.422 9.768 ( 4.462 13.428 0.000) 14.150 10.170 ( -0.359 -11.977 -0.000) 11.983 10.647 ( -3.294 -8.677 -0.000) 9.281 10.679 ( -2.184 -2.999 -0.000) 3.710 11.036 ( -2.200 3.394 -0.000) 4.045 11.076 ( -1.945 -3.799 -0.000) 4.268 25.351 ( -1.366 -3.316 -0.000) 3.587 25.580 ( 4.591 7.045 0.000) 8.409 25.610 ( 0.954 -3.296 -0.000) 3.431 25.975 ( 2.541 8.765 0.000) 9.126 26.143 ( -1.356 -10.201 -0.000) 10.290 27.208 ( -4.280 0.916 -0.000) 4.377 27.480 ( 0.509 0.211 0.000) 0.551 27.673 ( 0.021 -1.169 -0.000) 1.169 ======================= Grid point 83 (58/105) ======================= q-point: ( 0.11 -0.11 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 3.760 9.343 0.000) 10.071 1.359 ( 13.103 6.999 0.000) 14.855 1.563 ( -0.115 -2.935 -0.000) 2.937 1.874 ( -1.049 -3.495 -0.000) 3.649 1.907 ( -1.142 -5.758 -0.000) 5.871 1.944 ( -3.886 -2.532 -0.000) 4.638 2.086 ( -1.463 0.921 -0.000) 1.729 2.265 ( 1.540 7.669 0.000) 7.822 2.449 ( -1.882 -7.861 -0.000) 8.083 2.549 ( 1.343 4.151 0.000) 4.363 2.922 ( 2.729 3.049 0.000) 4.092 3.064 ( 4.304 -2.740 0.000) 5.102 4.054 ( 16.818 5.546 0.000) 17.709 4.455 ( -0.021 21.728 0.000) 21.728 4.542 ( 1.188 -22.919 -0.000) 22.950 5.009 ( 3.585 -1.622 0.000) 3.935 5.564 ( -9.255 -10.151 -0.000) 13.737 6.209 ( -4.517 -3.022 -0.000) 5.435 7.732 ( 0.777 3.689 0.000) 3.770 8.179 ( 4.633 4.287 0.000) 6.312 8.621 ( 4.837 10.554 0.000) 11.609 9.373 ( 2.993 5.131 0.000) 5.940 9.859 ( -6.160 -11.915 -0.000) 13.413 10.177 ( 6.695 12.863 0.000) 14.501 10.391 ( -4.878 -7.256 -0.000) 8.744 10.604 ( -0.921 0.405 -0.000) 1.006 10.926 ( -3.114 -4.738 -0.000) 5.670 11.021 ( -4.367 1.128 -0.000) 4.510 25.289 ( 1.555 -2.022 0.000) 2.551 25.566 ( 3.186 -5.154 -0.000) 6.059 25.877 ( 7.580 7.069 0.000) 10.365 25.918 ( -1.280 -8.200 -0.000) 8.299 26.196 ( 0.377 10.202 0.000) 10.209 27.074 ( -7.945 -1.591 -0.000) 8.103 27.514 ( 0.992 1.467 0.000) 1.771 27.640 ( -0.091 -2.010 -0.000) 2.012 ======================= Grid point 84 (59/105) ======================= q-point: ( 0.11 -0.11 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 2.780 5.755 0.000) 6.391 1.436 ( -2.652 -4.099 -0.000) 4.882 1.715 ( 6.520 -4.539 0.000) 7.944 1.768 ( 0.314 4.928 0.000) 4.938 1.791 ( -3.163 -2.915 -0.000) 4.301 1.853 ( 0.284 0.576 0.000) 0.643 2.159 ( 2.242 4.669 0.000) 5.179 2.210 ( -2.787 -7.572 -0.000) 8.068 2.449 ( 1.868 3.210 0.000) 3.714 2.636 ( -0.562 2.602 0.000) 2.662 3.005 ( 2.095 0.042 0.000) 2.096 3.053 ( 1.608 -4.300 -0.000) 4.591 4.119 ( 4.781 -23.814 -0.000) 24.289 4.550 ( 22.022 1.923 0.000) 22.106 4.867 ( -0.362 16.910 0.000) 16.914 5.098 ( 5.312 2.986 0.000) 6.094 5.185 ( -6.828 -8.834 -0.000) 11.166 5.948 ( -12.679 -4.866 -0.000) 13.581 7.808 ( 3.956 -0.692 0.000) 4.016 8.326 ( -1.810 5.727 0.000) 6.006 8.959 ( 7.497 8.887 0.000) 11.627 9.425 ( -10.483 -12.350 -0.000) 16.199 9.564 ( 7.904 3.801 0.000) 8.770 10.145 ( -8.149 -3.382 -0.000) 8.823 10.462 ( 3.957 3.773 0.000) 5.468 10.741 ( -2.448 -8.155 -0.000) 8.514 10.752 ( 4.183 9.821 0.000) 10.675 10.910 ( -7.935 1.080 -0.000) 8.008 25.348 ( 5.017 1.143 0.000) 5.146 25.530 ( 3.484 -4.708 0.000) 5.857 25.764 ( 0.122 -5.407 -0.000) 5.408 26.083 ( 3.034 1.212 0.000) 3.267 26.465 ( 2.382 12.691 0.000) 12.913 26.808 ( -10.642 -5.286 -0.000) 11.883 27.577 ( 1.429 1.947 0.000) 2.415 27.583 ( -0.647 -2.638 -0.000) 2.716 ======================= Grid point 85 (60/105) ======================= q-point: ( 0.11 -0.11 -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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -6.505 -3.853 -0.000) 7.560 1.460 ( 2.467 0.953 0.000) 2.644 1.614 ( -4.056 -4.845 -0.000) 6.319 1.716 ( 5.406 -0.853 0.000) 5.473 1.943 ( 0.633 4.856 0.000) 4.897 1.977 ( 4.172 5.190 0.000) 6.659 2.033 ( -1.603 -3.950 -0.000) 4.263 2.315 ( 2.927 3.334 0.000) 4.436 2.488 ( 0.766 -2.103 -0.000) 2.238 2.617 ( -5.113 0.914 -0.000) 5.194 2.954 ( -1.106 -5.365 -0.000) 5.477 3.025 ( 2.569 -2.345 0.000) 3.479 3.755 ( 5.824 -20.911 -0.000) 21.707 4.920 ( -4.687 -7.188 -0.000) 8.581 4.985 ( 21.599 -6.216 0.000) 22.476 5.138 ( 2.530 10.913 0.000) 11.202 5.390 ( 5.222 12.249 0.000) 13.316 5.518 ( -16.659 -4.450 -0.000) 17.243 7.868 ( 5.495 -3.602 0.000) 6.570 8.308 ( -8.920 3.318 -0.000) 9.517 8.953 ( -11.188 -10.096 -0.000) 15.070 9.306 ( 11.044 6.327 0.000) 12.728 9.874 ( 12.109 5.208 0.000) 13.182 9.901 ( -11.106 -1.222 -0.000) 11.173 10.457 ( -6.026 -10.612 -0.000) 12.204 10.628 ( 5.269 4.101 0.000) 6.677 10.772 ( -7.105 1.405 -0.000) 7.243 11.025 ( 2.451 7.891 0.000) 8.263 25.529 ( 0.590 0.474 0.000) 0.757 25.531 ( 6.736 3.836 0.000) 7.752 25.684 ( 3.478 -6.182 -0.000) 7.093 26.093 ( 1.073 -3.053 -0.000) 3.236 26.425 ( -12.505 -7.610 -0.000) 14.638 26.758 ( 1.698 10.324 0.000) 10.463 27.516 ( -0.767 -2.052 -0.000) 2.191 27.641 ( 1.339 1.163 0.000) 1.774 ======================= Grid point 86 (61/105) ======================= q-point: ( 0.11 -0.11 -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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -8.452 -3.820 -0.000) 9.275 1.273 ( -7.315 -9.163 -0.000) 11.724 1.620 ( 5.031 -0.663 0.000) 5.074 1.896 ( 6.724 3.650 0.000) 7.651 1.958 ( 2.250 -0.755 0.000) 2.374 2.059 ( -1.261 6.085 0.000) 6.215 2.174 ( 3.539 3.420 0.000) 4.921 2.322 ( -10.014 -1.007 -0.000) 10.065 2.412 ( -0.922 -4.298 -0.000) 4.395 2.510 ( 1.645 -0.549 0.000) 1.734 2.800 ( -1.782 -6.390 -0.000) 6.634 3.019 ( 2.883 -3.768 0.000) 4.744 3.548 ( 5.078 -9.248 -0.000) 10.551 4.532 ( -17.948 -8.186 -0.000) 19.727 5.184 ( 15.627 -8.883 0.000) 17.975 5.224 ( -5.606 -1.454 -0.000) 5.791 5.492 ( 6.433 11.782 0.000) 13.423 5.747 ( 7.277 8.850 0.000) 11.457 7.856 ( 2.834 -5.737 -0.000) 6.399 8.110 ( -12.407 -0.626 -0.000) 12.422 8.592 ( -8.467 -4.305 -0.000) 9.499 9.608 ( -13.245 -3.151 -0.000) 13.614 9.685 ( 13.987 4.711 0.000) 14.759 10.083 ( -10.003 -8.068 -0.000) 12.851 10.246 ( 12.310 5.391 0.000) 13.439 10.693 ( -2.829 1.333 -0.000) 3.127 10.844 ( 5.604 5.134 0.000) 7.600 11.157 ( -1.075 3.426 0.000) 3.591 25.546 ( -3.905 3.708 -0.000) 5.385 25.643 ( 6.040 -8.040 0.000) 10.056 25.721 ( 2.768 2.316 0.000) 3.609 26.022 ( -11.994 -4.765 -0.000) 12.906 26.071 ( 6.845 -4.451 0.000) 8.165 26.960 ( -0.362 8.264 0.000) 8.272 27.476 ( -0.200 -0.802 -0.000) 0.827 27.675 ( 0.846 -0.024 0.000) 0.846 ======================= Grid point 87 (62/105) ======================= q-point: ( 0.11 -0.11 -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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -10.751 -3.109 -0.000) 11.192 0.881 ( -9.856 -10.525 -0.000) 14.419 1.672 ( -1.586 -1.787 -0.000) 2.389 1.910 ( -15.337 -4.360 -0.000) 15.945 1.990 ( 2.999 -0.223 0.000) 3.007 2.063 ( 0.738 2.272 0.000) 2.389 2.257 ( 3.149 -1.543 0.000) 3.506 2.270 ( 4.982 8.798 0.000) 10.110 2.315 ( 1.033 -3.471 -0.000) 3.622 2.587 ( 4.419 -7.629 -0.000) 8.817 2.737 ( 2.062 6.805 0.000) 7.111 2.982 ( 1.056 -3.717 -0.000) 3.864 3.522 ( 0.222 -1.155 -0.000) 1.176 3.959 ( -21.802 -4.143 -0.000) 22.193 5.083 ( -4.710 -3.835 -0.000) 6.073 5.327 ( 16.346 -8.683 0.000) 18.509 5.829 ( 1.890 10.825 0.000) 10.988 6.068 ( 10.098 5.309 0.000) 11.409 7.784 ( -13.585 -4.145 -0.000) 14.203 7.815 ( 2.717 -1.928 0.000) 3.332 8.393 ( -6.642 -0.750 -0.000) 6.685 9.229 ( -14.057 -4.641 -0.000) 14.803 9.738 ( -11.605 -3.404 -0.000) 12.094 10.068 ( 14.420 3.351 0.000) 14.804 10.589 ( 10.064 4.802 0.000) 11.151 10.711 ( 1.594 1.141 0.000) 1.960 11.045 ( 4.357 3.481 0.000) 5.577 11.130 ( -3.801 -0.772 -0.000) 3.878 25.497 ( -4.311 -1.881 -0.000) 4.703 25.553 ( 1.354 -5.235 -0.000) 5.408 25.718 ( 0.176 -3.159 -0.000) 3.164 25.810 ( -7.343 2.898 -0.000) 7.894 26.214 ( 10.954 -2.028 0.000) 11.140 27.107 ( -1.222 7.541 0.000) 7.640 27.469 ( 0.341 -0.102 0.000) 0.356 27.684 ( 0.652 -0.390 0.000) 0.760 ======================= Grid point 90 (63/105) ======================= q-point: (-0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.232 ( -0.000 -0.000 -10.082) 10.082 0.232 ( -0.000 -0.000 -10.082) 10.082 0.682 ( -0.000 -0.000 -30.127) 30.127 1.963 ( -0.000 -0.000 -3.772) 3.772 1.965 ( 0.000 0.000 7.073) 7.073 1.965 ( 0.000 0.000 7.073) 7.073 2.242 ( 0.000 0.000 8.423) 8.423 2.242 ( 0.000 0.000 8.423) 8.423 2.579 ( 0.000 0.000 0.010) 0.010 2.579 ( 0.000 0.000 0.010) 0.010 2.973 ( 0.000 0.000 3.555) 3.555 3.093 ( 0.000 0.000 5.197) 5.197 3.118 ( -0.000 -0.000 -7.273) 7.273 3.118 ( -0.000 -0.000 -7.273) 7.273 4.706 ( 0.000 0.000 0.959) 0.959 5.788 ( 0.000 0.000 12.329) 12.329 5.788 ( 0.000 0.000 12.329) 12.329 6.394 ( 0.000 0.000 14.155) 14.155 7.901 ( -0.000 -0.000 -11.336) 11.336 8.047 ( -0.000 -0.000 -8.475) 8.475 8.047 ( -0.000 -0.000 -8.475) 8.475 8.758 ( -0.000 -0.000 -11.948) 11.948 9.260 ( -0.000 -0.000 -5.790) 5.790 10.581 ( 0.000 0.000 13.411) 13.411 10.868 ( -0.000 -0.000 -0.777) 0.777 10.868 ( -0.000 -0.000 -0.777) 0.777 10.964 ( -0.000 -0.000 -3.572) 3.572 11.204 ( 0.000 0.000 2.955) 2.955 25.383 ( 0.000 0.000 8.954) 8.954 25.383 ( 0.000 0.000 8.954) 8.954 25.864 ( -0.000 -0.000 -8.986) 8.986 25.864 ( -0.000 -0.000 -8.986) 8.986 26.594 ( -0.000 -0.000 -1.000) 1.000 26.937 ( 0.000 0.000 1.609) 1.609 27.499 ( -0.000 -0.000 -0.591) 0.591 27.692 ( 0.000 0.000 0.989) 0.989 ======================= Grid point 93 (64/105) ======================= q-point: (-0.12 -0.12 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 5.777 7.670 2.479) 9.917 1.379 ( 5.964 10.238 -2.044) 12.024 1.612 ( -2.354 -3.126 1.877) 4.340 1.862 ( 1.500 -2.526 5.179) 5.954 1.939 ( -2.962 -0.954 0.639) 3.177 1.957 ( -0.262 -4.617 -1.021) 4.736 2.146 ( -3.000 -6.001 -0.587) 6.735 2.266 ( 3.089 3.194 -0.553) 4.478 2.438 ( 1.152 2.608 -3.411) 4.445 2.655 ( 0.478 0.560 -5.602) 5.650 2.875 ( 1.795 3.217 0.140) 3.686 3.068 ( -0.462 1.053 4.347) 4.497 3.982 ( -2.163 20.188 -3.490) 20.602 4.200 ( 21.412 6.547 9.770) 24.429 4.858 ( 4.921 -2.033 3.400) 6.317 5.296 ( -2.582 -14.222 -0.278) 14.457 5.704 ( -3.879 -6.472 -9.366) 12.028 5.888 ( -14.164 2.779 3.859) 14.941 7.729 ( 9.344 1.811 7.446) 12.084 8.141 ( -3.022 4.098 -5.602) 7.570 8.618 ( 6.483 6.597 -4.143) 10.135 9.472 ( 10.216 4.258 -3.979) 11.762 9.774 ( -9.222 -5.785 5.481) 12.189 10.109 ( 6.228 9.016 0.016) 10.958 10.411 ( -8.980 -5.725 -3.371) 11.171 10.634 ( -0.438 -2.096 -1.508) 2.619 10.871 ( -4.671 -1.777 -0.166) 5.001 11.018 ( -0.093 -4.760 2.940) 5.596 25.397 ( 3.322 -2.058 0.049) 3.909 25.694 ( -1.956 -2.056 1.367) 3.150 25.818 ( 3.611 4.705 6.478) 8.783 25.963 ( 4.232 9.904 -1.575) 10.885 26.166 ( -0.091 -7.215 -5.405) 9.015 26.938 ( -6.481 -1.734 -0.846) 6.762 27.500 ( 0.417 1.305 -0.390) 1.424 27.667 ( -0.238 -1.007 0.627) 1.210 ======================= Grid point 94 (65/105) ======================= q-point: (-0.12 -0.12 0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 4.374 7.223 2.607) 8.837 1.440 ( -4.087 -5.177 2.002) 6.893 1.671 ( 3.013 6.852 -0.949) 7.545 1.812 ( -2.647 0.366 -0.474) 2.713 1.830 ( 1.148 -4.440 1.344) 4.779 1.897 ( -0.294 -5.147 0.159) 5.158 2.051 ( 0.767 2.619 2.184) 3.496 2.195 ( -4.080 -4.258 5.834) 8.295 2.616 ( 5.211 2.685 -8.997) 10.738 2.689 ( -0.211 0.694 -8.004) 8.036 2.971 ( 1.605 2.421 3.588) 4.617 3.044 ( -2.120 -0.602 4.683) 5.176 4.383 ( -3.469 23.173 -4.110) 23.789 4.663 ( 13.656 -8.016 5.343) 16.712 4.909 ( 6.849 -4.793 -1.651) 8.521 5.000 ( -0.435 -4.723 7.280) 8.689 5.503 ( 0.206 -5.161 -8.275) 9.755 5.624 ( -15.632 2.361 -1.834) 15.915 7.945 ( 9.091 0.266 5.411) 10.583 8.102 ( -6.438 1.320 0.519) 6.593 8.961 ( 9.684 9.595 -1.374) 13.702 9.383 ( -11.600 -8.827 1.748) 14.680 9.759 ( 10.697 3.147 -4.577) 12.053 10.068 ( -10.785 -4.933 -3.158) 12.273 10.492 ( 7.580 8.740 2.213) 11.779 10.638 ( 1.714 0.430 -0.215) 1.780 10.745 ( -5.502 0.777 -1.514) 5.759 10.854 ( -2.058 -8.594 3.215) 9.404 25.455 ( 4.271 0.343 -1.024) 4.406 25.579 ( -3.888 -2.678 0.222) 4.726 25.934 ( 0.119 3.811 3.156) 4.949 26.010 ( -0.425 -3.590 -0.761) 3.695 26.362 ( 9.511 8.820 -1.124) 13.019 26.708 ( -8.231 -5.848 -0.308) 10.102 27.554 ( 0.998 2.331 -0.265) 2.550 27.623 ( -0.845 -2.083 0.165) 2.254 ======================= Grid point 99 (66/105) ======================= q-point: (-0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 3.699 -7.027 -8.288) 11.479 0.765 ( -3.738 -9.563 -9.118) 13.732 1.618 ( 0.216 -7.010 -4.737) 8.463 1.705 ( -0.168 -1.811 1.218) 2.189 1.886 ( -1.691 -5.088 8.249) 9.839 1.996 ( 1.609 2.082 0.702) 2.723 2.052 ( -0.759 -0.417 1.451) 1.689 2.216 ( 1.533 -3.046 4.712) 5.817 2.501 ( -2.591 1.722 -0.693) 3.188 2.624 ( -0.194 0.677 -2.838) 2.924 2.845 ( 3.737 2.825 3.924) 6.111 3.016 ( -0.754 -0.343 2.326) 2.469 3.324 ( 2.447 -4.238 2.836) 5.656 3.520 ( -2.999 -16.260 -0.641) 16.547 4.679 ( 0.487 2.608 -0.946) 2.817 5.373 ( -6.597 4.291 10.260) 12.931 5.788 ( 8.634 -9.003 13.936) 18.703 6.036 ( -2.469 -1.307 12.136) 12.453 7.761 ( 1.157 6.789 -19.319) 20.510 8.199 ( -2.194 2.656 -6.147) 7.046 8.534 ( 0.530 -1.635 -8.102) 8.282 9.172 ( -0.899 -4.693 -12.309) 13.204 9.676 ( 1.276 -10.668 -7.143) 12.902 10.084 ( -0.263 6.035 14.337) 15.557 10.759 ( -0.167 5.419 -0.855) 5.488 10.865 ( -0.060 6.617 1.199) 6.725 10.946 ( -0.326 -1.572 3.360) 3.724 11.122 ( 0.359 -0.887 -0.304) 1.004 25.241 ( 0.586 -2.071 5.569) 5.971 25.401 ( -2.336 -7.635 7.994) 11.299 25.714 ( -0.705 5.989 -8.815) 10.681 25.973 ( 2.337 3.281 -5.981) 7.211 26.455 ( 1.987 8.144 -3.083) 8.932 27.130 ( -1.667 -5.332 3.559) 6.624 27.501 ( -0.095 0.605 -1.029) 1.197 27.653 ( -0.003 0.337 1.596) 1.631 ======================= Grid point 100 (67/105) ======================= q-point: (-0.36 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 3.331 -6.293 -11.386) 13.429 0.673 ( 10.600 -7.741 -6.306) 14.562 1.479 ( 7.453 -7.671 -18.307) 21.202 1.698 ( -0.396 0.201 11.641) 11.649 1.838 ( 5.956 -3.901 11.346) 13.395 2.029 ( -2.034 0.475 -4.436) 4.903 2.097 ( 0.801 0.852 5.188) 5.318 2.144 ( 1.205 -3.440 7.082) 7.966 2.524 ( -2.290 3.252 -2.348) 4.619 2.638 ( 0.819 1.211 -2.577) 2.962 2.895 ( -3.743 -3.985 4.959) 7.381 2.973 ( 3.150 1.166 4.432) 5.561 3.272 ( 1.306 -3.675 1.768) 4.282 3.354 ( 7.831 -4.752 -2.133) 9.405 4.719 ( 0.315 -0.739 -2.430) 2.559 5.442 ( 3.557 7.148 14.670) 16.702 5.629 ( -0.396 -11.371 13.597) 17.730 6.030 ( 1.375 0.138 14.573) 14.638 7.843 ( -8.887 7.638 -19.262) 22.546 8.281 ( 2.521 0.135 -8.924) 9.274 8.481 ( 1.580 -2.578 -8.539) 9.058 9.122 ( 2.739 -2.043 -13.256) 13.689 9.549 ( 5.033 -6.018 -8.142) 11.307 10.152 ( -3.615 3.756 16.169) 16.989 10.846 ( -1.240 3.176 -0.219) 3.416 10.868 ( -2.630 0.407 0.106) 2.663 10.983 ( -0.052 0.958 0.182) 0.977 11.095 ( -1.089 0.586 2.947) 3.196 25.220 ( 0.532 -1.519 6.157) 6.364 25.307 ( 5.284 -3.337 8.071) 10.208 25.830 ( -4.342 6.613 -9.990) 12.743 25.985 ( -4.286 1.088 -5.861) 7.342 26.589 ( -3.067 0.695 -3.376) 4.614 27.019 ( 3.988 -1.806 4.340) 6.164 27.508 ( -0.329 0.401 -1.086) 1.203 27.658 ( -0.144 0.146 1.678) 1.691 ======================= Grid point 104 (68/105) ======================= q-point: ( 0.64 -0.14 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -4.056 4.861 0.227) 6.335 1.494 ( 3.511 -2.257 -1.073) 4.310 1.621 ( -6.331 5.342 2.007) 8.524 1.686 ( 2.826 2.234 -3.056) 4.724 1.901 ( 3.714 -0.830 2.166) 4.379 1.965 ( -0.207 -4.048 1.949) 4.498 2.081 ( -0.659 -2.866 1.947) 3.526 2.174 ( 1.613 -4.751 -4.622) 6.822 2.674 ( -1.117 5.566 4.032) 6.963 2.794 ( -6.106 1.313 2.285) 6.650 2.882 ( 3.879 1.585 -0.417) 4.211 2.937 ( 0.098 1.141 -4.871) 5.004 4.011 ( -3.351 21.161 -11.848) 24.483 4.555 ( -19.948 0.840 7.447) 21.309 4.937 ( 6.843 4.574 6.881) 10.729 4.976 ( 9.241 -0.430 2.632) 9.618 5.594 ( 3.782 -4.518 -4.682) 7.525 5.874 ( -1.863 -10.710 -6.181) 12.505 7.732 ( -2.853 5.558 3.369) 7.098 8.212 ( 3.013 -3.241 -0.205) 4.430 8.818 ( -3.197 8.636 2.728) 9.604 9.494 ( 0.852 -6.822 -5.687) 8.923 9.721 ( -0.355 5.396 7.430) 9.189 10.175 ( -3.880 -2.429 -7.238) 8.564 10.365 ( 3.386 3.485 1.665) 5.136 10.671 ( -1.546 -1.378 1.957) 2.849 10.812 ( 6.561 -1.312 -2.211) 7.047 10.918 ( -1.714 -7.428 2.023) 7.887 25.424 ( -1.877 2.347 2.634) 3.996 25.612 ( 3.370 -1.133 -0.678) 3.620 25.780 ( -4.767 2.368 -4.754) 7.137 26.106 ( 1.276 -1.969 1.339) 2.702 26.199 ( -0.886 10.542 3.673) 11.199 26.883 ( 2.078 -9.281 -1.789) 9.678 27.527 ( -0.470 1.542 -0.299) 1.639 27.640 ( 0.283 -0.782 0.073) 0.834 ======================= Grid point 105 (69/105) ======================= q-point: ( 0.64 -0.14 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -4.378 3.765 3.461) 6.732 1.481 ( 1.218 -2.191 -0.312) 2.526 1.570 ( -6.990 4.525 2.608) 8.725 1.787 ( 0.479 -4.626 -1.175) 4.797 1.837 ( 0.392 0.657 -2.923) 3.021 1.974 ( 4.106 -1.040 -0.678) 4.290 2.119 ( 1.192 -0.643 -3.214) 3.487 2.146 ( 6.199 -0.783 1.179) 6.359 2.681 ( -5.869 0.434 -1.331) 6.034 2.767 ( -2.268 6.550 4.767) 8.412 2.897 ( -1.280 -3.282 -6.620) 7.499 2.941 ( -0.305 -0.353 5.106) 5.128 4.063 ( -19.932 -1.187 8.249) 21.604 4.490 ( -2.256 23.656 -6.052) 24.522 4.895 ( -1.415 -7.751 -0.131) 7.880 5.021 ( -4.407 -6.433 -8.272) 11.368 5.571 ( 5.400 -2.572 -2.158) 6.359 5.914 ( 12.307 -0.890 6.461) 13.928 7.730 ( -5.722 2.960 -3.720) 7.439 8.205 ( 2.625 -2.530 5.195) 6.347 8.820 ( -8.352 3.004 3.219) 9.441 9.509 ( 8.360 -1.670 -2.757) 8.960 9.697 ( -7.456 1.720 -2.231) 7.970 10.173 ( 2.226 3.419 -0.082) 4.080 10.392 ( -1.961 -4.485 5.845) 7.624 10.679 ( 0.190 2.938 0.694) 3.025 10.759 ( 1.958 -4.398 -1.290) 4.984 10.945 ( 7.069 -0.779 -2.205) 7.445 25.453 ( -0.362 0.517 -2.070) 2.164 25.553 ( -3.090 0.425 -2.500) 3.997 25.806 ( -0.584 2.897 -1.290) 3.225 26.043 ( -4.034 1.178 0.248) 4.210 26.287 ( -2.964 -3.530 5.242) 6.981 26.862 ( 8.243 -0.745 -0.025) 8.276 27.526 ( -1.589 0.511 0.950) 1.920 27.640 ( 0.794 -0.298 -1.054) 1.353 ======================= Grid point 108 (70/105) ======================= q-point: (-0.60 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -1.944 2.421 -6.139) 6.880 1.159 ( -0.807 1.236 -0.927) 1.743 1.395 ( 0.822 -0.714 -1.646) 1.974 1.802 ( 0.600 -1.380 -0.542) 1.600 1.897 ( 0.808 -1.219 -0.670) 1.609 2.055 ( -3.266 -2.083 0.223) 3.880 2.158 ( -1.955 -4.474 2.202) 5.356 2.384 ( 1.583 -4.253 4.886) 6.668 2.485 ( -0.081 3.435 -0.374) 3.456 2.598 ( 1.231 5.938 4.503) 7.553 2.746 ( -0.189 -3.796 -4.222) 5.681 2.872 ( 2.143 2.439 1.864) 3.744 3.493 ( 7.546 -3.440 -2.241) 8.590 4.317 ( -7.328 -19.028 3.374) 20.667 4.610 ( 0.207 2.632 -3.365) 4.277 5.060 ( -4.831 10.330 -6.085) 12.926 5.747 ( 2.011 -4.584 -0.266) 5.013 6.038 ( 3.296 -9.372 18.604) 21.091 7.883 ( 2.053 4.474 -8.333) 9.678 8.049 ( -2.155 6.778 -1.420) 7.252 8.661 ( 0.564 4.251 -4.522) 6.232 9.521 ( -4.983 3.987 -5.612) 8.498 9.719 ( 2.583 -6.613 6.642) 9.722 10.181 ( 2.826 -4.944 -1.725) 5.950 10.329 ( 2.765 7.629 4.368) 9.216 10.706 ( -2.287 2.792 -1.191) 3.801 10.899 ( 0.314 -4.017 2.632) 4.813 11.202 ( -1.024 0.896 -1.936) 2.366 25.304 ( -2.388 -3.744 1.844) 4.808 25.556 ( -5.802 -1.720 -0.894) 6.117 25.776 ( 1.686 -6.546 1.129) 6.853 25.832 ( 1.581 5.871 0.746) 6.126 26.179 ( 4.094 8.616 -4.735) 10.650 27.221 ( 0.205 -1.970 1.494) 2.481 27.487 ( 0.619 0.811 -0.066) 1.023 27.631 ( -0.597 -0.812 0.422) 1.093 ======================= Grid point 110 (71/105) ======================= q-point: (-0.60 -0.15 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 8.363 -4.505 -6.900) 11.741 1.109 ( 2.339 -5.295 -7.969) 9.849 1.477 ( 2.692 3.321 2.836) 5.130 1.791 ( 1.552 -3.148 5.670) 6.669 1.905 ( -1.543 2.755 0.918) 3.289 1.955 ( -1.983 -3.409 1.522) 4.227 2.088 ( 1.383 -0.168 -1.544) 2.080 2.261 ( -1.777 -4.117 4.232) 6.166 2.539 ( 1.526 -0.907 -3.821) 4.213 2.667 ( -0.113 -2.990 -3.123) 4.325 2.763 ( 3.064 4.583 3.675) 6.625 2.943 ( 1.354 -0.501 3.006) 3.335 3.567 ( 6.125 -9.177 -3.666) 11.626 3.827 ( 2.709 -16.867 5.335) 17.897 4.679 ( 4.004 2.575 -2.899) 5.574 5.151 ( -3.193 4.334 -5.571) 7.747 5.667 ( -5.932 -0.580 13.458) 14.719 5.898 ( 6.854 -11.261 11.232) 17.319 7.939 ( -8.248 5.719 -12.485) 16.019 8.244 ( 8.225 5.793 -0.715) 10.086 8.760 ( 2.098 1.704 -10.027) 10.385 9.438 ( -2.501 -3.068 -6.406) 7.530 9.659 ( -1.785 0.365 12.460) 12.593 10.087 ( 2.869 -8.060 -4.632) 9.729 10.598 ( 0.690 9.683 2.310) 9.979 10.728 ( -1.337 2.670 -1.561) 3.369 10.821 ( -1.283 0.204 4.618) 4.797 11.160 ( -3.186 -0.784 -1.392) 3.565 25.237 ( 2.293 -2.358 2.736) 4.278 25.356 ( -2.247 -5.931 3.967) 7.481 25.758 ( 0.244 1.293 -2.196) 2.560 25.987 ( 0.283 4.089 -2.413) 4.756 26.466 ( 5.908 8.675 -4.461) 11.405 27.089 ( -5.433 -4.614 2.289) 7.486 27.517 ( 0.528 0.554 -1.401) 1.597 27.611 ( -0.199 -0.216 1.823) 1.847 ======================= Grid point 111 (72/105) ======================= q-point: (-0.60 -0.15 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 2.580 -3.201 -14.835) 15.394 1.191 ( 11.432 -6.668 -4.884) 14.107 1.563 ( 1.517 -0.544 4.333) 4.623 1.780 ( -3.792 -1.168 -0.730) 4.035 1.848 ( 7.023 -4.619 10.408) 13.378 1.952 ( 0.482 1.192 5.619) 5.764 2.072 ( -1.309 0.058 -1.404) 1.920 2.234 ( 1.397 -0.288 -3.111) 3.422 2.545 ( 1.758 -1.268 -1.817) 2.828 2.626 ( 0.325 -0.702 -1.337) 1.545 2.841 ( -0.885 -1.970 1.873) 2.859 2.935 ( 1.713 -1.025 2.486) 3.188 3.309 ( 0.905 -10.999 5.998) 12.561 3.851 ( 16.315 -8.581 -6.027) 19.395 4.858 ( 3.260 0.490 -3.101) 4.526 5.131 ( 1.844 1.886 6.773) 7.268 5.533 ( -1.166 -3.931 8.263) 9.224 5.857 ( 2.054 -2.941 8.891) 9.587 7.862 ( -7.551 4.517 -8.201) 12.028 8.463 ( 1.138 1.724 -4.511) 4.962 8.786 ( 1.099 -2.178 -14.099) 14.309 9.389 ( 1.578 0.961 -0.558) 1.930 9.671 ( -0.030 3.180 11.170) 11.613 9.971 ( 2.173 -7.817 -6.869) 10.631 10.634 ( -6.917 1.528 3.879) 8.076 10.718 ( -1.985 3.879 3.412) 5.534 10.986 ( 4.086 5.716 -2.072) 7.326 11.043 ( -4.471 -1.550 -0.378) 4.747 25.232 ( 3.426 -4.298 1.995) 5.847 25.336 ( 6.743 -0.338 4.737) 8.248 25.809 ( -2.108 5.043 -2.127) 5.865 25.971 ( -3.437 -2.287 -3.203) 5.225 26.625 ( -5.635 -1.277 -7.290) 9.302 26.955 ( 1.455 3.043 5.523) 6.471 27.521 ( -0.569 -0.066 -1.157) 1.291 27.616 ( 0.505 0.219 1.691) 1.778 ======================= Grid point 112 (73/105) ======================= q-point: (-0.60 -0.15 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 3.150 -2.315 -13.510) 14.064 1.240 ( 6.726 -8.771 -6.296) 12.721 1.469 ( -4.329 -3.412 4.488) 7.109 1.736 ( -0.024 2.894 3.931) 4.882 1.877 ( 0.805 -1.287 2.011) 2.520 2.029 ( 5.550 -0.422 6.417) 8.495 2.104 ( 2.107 -0.440 -2.156) 3.046 2.262 ( 3.235 0.595 -0.490) 3.326 2.535 ( 0.597 -2.396 2.806) 3.738 2.636 ( -1.345 1.488 0.998) 2.241 2.746 ( 0.512 -3.391 -3.940) 5.223 2.924 ( -2.390 -0.232 2.937) 3.794 3.288 ( 4.092 2.477 2.066) 5.210 4.058 ( 20.938 -9.049 -2.047) 22.902 4.731 ( -2.914 -5.877 -1.941) 6.841 5.350 ( -5.607 -1.009 -2.547) 6.241 5.472 ( 9.706 4.596 8.576) 13.744 5.869 ( 2.862 0.271 12.824) 13.142 7.850 ( -3.629 5.336 -4.499) 7.867 8.328 ( -7.303 -5.642 -8.078) 12.265 8.740 ( -1.995 -1.422 -9.431) 9.744 9.509 ( 4.479 2.907 3.021) 6.135 9.715 ( -1.483 -2.584 -1.020) 3.149 9.953 ( 7.441 0.875 0.126) 7.493 10.492 ( -10.125 2.265 4.442) 11.286 10.777 ( 0.283 2.244 1.419) 2.670 10.877 ( -4.135 -2.313 1.217) 4.892 11.169 ( 2.274 2.959 -2.458) 4.468 25.258 ( 5.273 -2.653 1.432) 6.073 25.511 ( 10.280 -1.432 4.100) 11.160 25.792 ( -5.222 -4.067 -3.914) 7.689 25.863 ( -3.856 5.314 -1.008) 6.643 26.358 ( -10.155 -2.755 -4.314) 11.372 27.123 ( 3.058 4.200 2.978) 5.988 27.501 ( -1.091 0.045 -0.238) 1.118 27.628 ( 0.682 -0.384 0.779) 1.104 ======================= Grid point 119 (74/105) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 1.446 12.143 0.000) 12.229 0.746 ( -0.380 11.632 0.000) 11.638 1.646 ( -0.299 -0.361 -0.000) 0.468 1.808 ( -4.634 16.972 0.000) 17.594 1.982 ( -0.598 -2.768 -0.000) 2.831 2.094 ( 0.558 -1.350 -0.000) 1.461 2.239 ( -3.425 -2.523 -0.000) 4.254 2.246 ( -0.469 -3.812 -0.000) 3.841 2.425 ( 4.708 -2.929 0.000) 5.545 2.513 ( 1.687 -4.138 -0.000) 4.469 2.823 ( 0.927 -1.988 -0.000) 2.193 2.939 ( 0.341 -0.798 -0.000) 0.868 3.551 ( 3.602 2.562 0.000) 4.420 3.939 ( 1.702 21.936 0.000) 22.002 4.997 ( -3.486 3.708 -0.000) 5.089 5.143 ( -7.856 -19.422 -0.000) 20.951 5.977 ( 1.659 -3.123 -0.000) 3.536 6.185 ( 6.590 -8.441 0.000) 10.709 7.681 ( -5.107 12.579 0.000) 13.576 7.851 ( 5.175 -1.273 0.000) 5.330 8.382 ( -0.681 6.818 0.000) 6.852 9.161 ( -1.611 13.030 0.000) 13.129 9.713 ( 0.828 12.723 0.000) 12.749 10.135 ( 2.919 -13.225 -0.000) 13.543 10.663 ( 1.749 -10.378 -0.000) 10.524 10.714 ( -0.866 -2.559 -0.000) 2.701 11.074 ( -1.075 0.914 -0.000) 1.411 11.106 ( -0.912 -0.129 -0.000) 0.921 25.409 ( -4.134 -1.166 -0.000) 4.296 25.525 ( 0.821 4.346 0.000) 4.423 25.638 ( -3.448 -1.459 -0.000) 3.744 25.897 ( 4.568 8.153 0.000) 9.345 26.173 ( -1.644 -10.787 -0.000) 10.912 27.227 ( 2.839 0.804 0.000) 2.951 27.471 ( 0.274 -0.274 0.000) 0.387 27.676 ( -0.300 -0.964 -0.000) 1.010 ======================= Grid point 120 (75/105) ======================= q-point: ( 0.17 -0.17 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 3.421 10.412 0.000) 10.960 1.082 ( 11.336 7.730 0.000) 13.721 1.549 ( 0.972 -4.684 -0.000) 4.784 1.894 ( -0.790 -4.181 -0.000) 4.255 1.966 ( -4.321 -1.825 -0.000) 4.690 2.007 ( -2.041 -2.946 -0.000) 3.584 2.138 ( -3.300 -0.806 -0.000) 3.397 2.247 ( 0.249 9.318 0.000) 9.322 2.460 ( 1.032 -6.577 -0.000) 6.658 2.513 ( 2.471 3.845 0.000) 4.570 2.864 ( 2.740 2.018 0.000) 3.403 2.957 ( 5.076 -3.532 0.000) 6.184 3.759 ( 11.518 2.592 0.000) 11.806 4.433 ( 2.200 20.369 0.000) 20.488 4.573 ( -4.307 -22.336 -0.000) 22.747 4.981 ( -1.394 0.517 -0.000) 1.487 5.748 ( -7.860 -9.060 -0.000) 11.994 6.189 ( 5.725 -6.912 0.000) 8.976 7.792 ( -5.802 8.735 -0.000) 10.486 8.025 ( 9.155 2.538 0.000) 9.500 8.559 ( 1.476 9.613 0.000) 9.726 9.358 ( -1.262 7.954 0.000) 8.053 9.917 ( 0.341 -12.231 -0.000) 12.236 10.057 ( 4.786 13.958 0.000) 14.755 10.450 ( -0.959 -9.444 -0.000) 9.492 10.640 ( -2.280 -0.425 -0.000) 2.319 10.978 ( -1.682 -5.579 -0.000) 5.827 11.111 ( -4.026 3.428 -0.000) 5.287 25.289 ( -1.646 -2.581 -0.000) 3.062 25.538 ( -1.057 -3.644 -0.000) 3.794 25.739 ( 5.392 7.931 0.000) 9.590 25.939 ( -0.577 -8.914 -0.000) 8.932 26.157 ( 3.329 8.681 0.000) 9.298 27.204 ( -4.176 -1.315 -0.000) 4.378 27.491 ( 1.126 0.854 0.000) 1.413 27.643 ( -0.254 -1.611 -0.000) 1.630 ======================= Grid point 121 (76/105) ======================= q-point: ( 0.17 -0.17 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 2.874 6.399 0.000) 7.015 1.419 ( 6.928 -0.662 0.000) 6.960 1.528 ( 7.354 -2.523 0.000) 7.775 1.805 ( 0.564 -2.842 -0.000) 2.897 1.811 ( -3.626 -0.800 -0.000) 3.714 1.909 ( -4.092 -1.420 -0.000) 4.331 2.125 ( 0.979 2.923 0.000) 3.083 2.261 ( -1.941 -7.606 -0.000) 7.850 2.444 ( -1.097 5.922 0.000) 6.023 2.635 ( 0.442 3.942 0.000) 3.966 2.956 ( 2.690 0.246 0.000) 2.702 2.978 ( 5.384 -5.246 0.000) 7.518 4.056 ( 0.776 -23.444 -0.000) 23.457 4.118 ( 18.863 0.533 0.000) 18.870 4.829 ( 4.173 9.115 0.000) 10.025 5.033 ( 0.327 8.542 0.000) 8.548 5.358 ( -9.468 -9.584 -0.000) 13.472 6.089 ( -0.686 -8.028 -0.000) 8.057 7.810 ( -4.270 3.660 -0.000) 5.624 8.284 ( 5.786 5.802 0.000) 8.194 8.830 ( 5.011 9.164 0.000) 10.444 9.465 ( 1.492 3.741 0.000) 4.028 9.600 ( -5.908 -12.679 -0.000) 13.988 10.262 ( -2.906 -4.975 -0.000) 5.762 10.400 ( 2.535 8.194 0.000) 8.577 10.677 ( 2.349 6.778 0.000) 7.174 10.797 ( -2.965 -6.930 -0.000) 7.538 11.058 ( -6.199 1.637 -0.000) 6.412 25.267 ( 2.633 -0.226 0.000) 2.643 25.450 ( 2.735 -5.963 -0.000) 6.560 25.787 ( -1.250 -4.055 -0.000) 4.244 25.993 ( 4.930 3.823 0.000) 6.238 26.418 ( 2.807 11.022 0.000) 11.374 27.011 ( -8.579 -4.331 -0.000) 9.611 27.546 ( 1.532 1.534 0.000) 2.168 27.596 ( -0.591 -2.130 -0.000) 2.211 ======================= Grid point 122 (77/105) ======================= q-point: ( 0.17 0.83 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -4.427 -2.278 -0.000) 4.979 1.404 ( 2.483 1.809 0.000) 3.072 1.591 ( 6.805 -4.363 0.000) 8.084 1.725 ( -5.913 -3.660 -0.000) 6.954 1.879 ( 5.051 1.631 0.000) 5.308 1.899 ( 3.302 4.327 0.000) 5.443 2.075 ( -2.328 -4.328 -0.000) 4.915 2.256 ( 2.540 4.095 0.000) 4.818 2.488 ( -1.047 0.574 -0.000) 1.194 2.681 ( -1.439 1.613 -0.000) 2.162 2.952 ( 1.852 -4.897 -0.000) 5.236 2.978 ( 2.021 -2.421 0.000) 3.154 3.642 ( 4.597 -21.119 -0.000) 21.613 4.513 ( 22.496 -5.376 0.000) 23.129 5.011 ( -5.452 -7.896 -0.000) 9.596 5.035 ( 7.037 3.704 0.000) 7.953 5.329 ( 1.401 14.506 0.000) 14.573 5.816 ( -10.040 -7.312 -0.000) 12.420 7.799 ( 0.191 -0.131 0.000) 0.232 8.436 ( -2.841 4.518 0.000) 5.337 9.118 ( 7.110 6.532 0.000) 9.655 9.177 ( -9.928 -10.919 -0.000) 14.758 9.650 ( 8.812 4.523 0.000) 9.905 10.094 ( -6.848 -2.094 -0.000) 7.161 10.547 ( 2.163 4.786 0.000) 5.252 10.562 ( -4.625 -8.206 -0.000) 9.420 10.931 ( -7.644 0.517 -0.000) 7.662 10.953 ( 4.402 8.835 0.000) 9.871 25.390 ( 6.441 2.697 0.000) 6.983 25.428 ( 6.395 -5.018 0.000) 8.128 25.702 ( -2.849 -0.367 -0.000) 2.872 26.063 ( 1.646 -3.186 -0.000) 3.586 26.678 ( -11.561 -7.006 -0.000) 13.518 26.720 ( 2.377 11.612 0.000) 11.853 27.535 ( -1.035 -1.869 -0.000) 2.136 27.609 ( 1.656 1.121 0.000) 2.000 ======================= Grid point 124 (78/105) ======================= q-point: ( 0.17 -0.17 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -7.923 -2.085 -0.000) 8.193 1.412 ( -4.657 -5.076 -0.000) 6.889 1.533 ( 1.425 -3.372 -0.000) 3.661 1.738 ( 8.202 2.781 0.000) 8.661 1.926 ( 1.110 -2.845 -0.000) 3.054 2.070 ( 6.443 2.945 0.000) 7.084 2.081 ( -0.426 5.006 0.000) 5.024 2.349 ( 2.846 0.043 0.000) 2.846 2.438 ( -1.706 -2.323 -0.000) 2.882 2.615 ( -6.324 -2.000 -0.000) 6.633 2.842 ( -2.316 -4.753 -0.000) 5.287 2.959 ( 2.684 -3.802 0.000) 4.654 3.426 ( 6.273 -9.059 0.000) 11.019 4.775 ( -5.771 -6.331 -0.000) 8.567 4.787 ( 21.204 -11.868 0.000) 24.300 5.342 ( 8.569 9.883 0.000) 13.081 5.423 ( -12.839 -4.757 -0.000) 13.692 5.638 ( 3.737 9.584 0.000) 10.287 7.803 ( 1.822 -2.235 0.000) 2.884 8.343 ( -9.654 -0.256 -0.000) 9.658 8.785 ( -9.890 -5.691 -0.000) 11.411 9.424 ( 10.779 5.234 0.000) 11.983 9.862 ( -10.578 -3.305 -0.000) 11.083 9.988 ( 12.131 5.706 0.000) 13.406 10.271 ( -8.178 -6.399 -0.000) 10.384 10.730 ( 5.013 5.167 0.000) 7.199 10.788 ( -5.954 -0.013 -0.000) 5.954 11.158 ( 1.170 4.803 0.000) 4.943 25.484 ( 7.761 -5.161 0.000) 9.320 25.617 ( 7.121 4.272 0.000) 8.304 25.649 ( -4.741 3.033 -0.000) 5.628 25.970 ( 2.500 -8.393 -0.000) 8.758 26.278 ( -12.385 -5.995 -0.000) 13.760 26.966 ( 0.220 9.314 0.000) 9.316 27.486 ( -0.782 -0.866 -0.000) 1.167 27.653 ( 1.292 -0.006 0.000) 1.292 ======================= Grid point 125 (79/105) ======================= q-point: ( 0.17 -0.17 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -10.433 -1.238 -0.000) 10.507 1.086 ( -9.641 -8.340 -0.000) 12.748 1.578 ( 6.248 -2.627 0.000) 6.778 1.914 ( 4.139 -0.503 0.000) 4.169 1.999 ( 5.230 2.656 0.000) 5.865 2.184 ( 3.062 -2.813 0.000) 4.158 2.201 ( 1.884 6.168 0.000) 6.450 2.296 ( -15.881 -0.957 -0.000) 15.910 2.338 ( -2.975 -1.562 -0.000) 3.361 2.448 ( 7.153 -4.918 0.000) 8.681 2.740 ( -1.354 1.735 -0.000) 2.201 2.938 ( 2.851 -3.579 0.000) 4.575 3.480 ( 3.575 1.490 0.000) 3.873 4.404 ( -18.984 -3.582 -0.000) 19.319 4.949 ( 19.623 -12.056 0.000) 23.031 5.166 ( -4.268 -4.277 -0.000) 6.042 5.750 ( 6.452 12.167 0.000) 13.772 5.882 ( 7.325 3.652 0.000) 8.185 7.784 ( 0.388 -0.440 0.000) 0.587 8.057 ( -12.440 -4.420 -0.000) 13.202 8.543 ( -7.757 -0.820 -0.000) 7.800 9.518 ( -13.095 -5.165 -0.000) 14.077 9.778 ( 13.167 4.414 0.000) 13.888 9.978 ( -11.355 -2.051 -0.000) 11.539 10.354 ( 11.988 4.799 0.000) 12.912 10.706 ( -1.397 -0.183 -0.000) 1.409 10.940 ( 5.579 3.684 0.000) 6.686 11.198 ( -2.433 0.461 -0.000) 2.476 25.484 ( 4.465 -7.081 -0.000) 8.371 25.610 ( -5.786 2.221 -0.000) 6.198 25.722 ( -0.671 -3.070 -0.000) 3.143 25.970 ( 12.161 -3.498 0.000) 12.654 25.990 ( -9.603 1.744 -0.000) 9.760 27.130 ( -0.742 7.213 0.000) 7.251 27.467 ( -0.135 -0.131 -0.000) 0.188 27.667 ( 0.972 -0.658 0.000) 1.174 ======================= Grid point 140 (80/105) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 1.650 -6.823 -7.563) 10.318 0.568 ( -1.559 -9.663 -9.104) 13.368 1.399 ( 0.078 -8.592 -21.692) 23.332 1.715 ( 0.489 -0.466 12.947) 12.965 1.762 ( -1.067 -5.327 13.963) 14.983 2.047 ( 1.273 2.182 -4.040) 4.765 2.070 ( -1.119 1.240 3.277) 3.679 2.139 ( 0.491 -3.951 6.497) 7.620 2.568 ( 0.075 4.168 -2.188) 4.708 2.630 ( -1.231 -0.029 -3.202) 3.431 2.884 ( 2.990 0.453 5.627) 6.388 2.967 ( -1.696 -3.622 6.123) 7.313 3.253 ( 1.170 -2.366 -0.159) 2.645 3.286 ( -1.403 -6.221 -1.784) 6.622 4.710 ( 0.124 0.443 -2.108) 2.157 5.449 ( -4.595 3.081 13.358) 14.459 5.582 ( 4.943 -8.529 14.134) 17.232 6.019 ( -0.489 -1.173 17.314) 17.361 7.964 ( 0.809 12.507 -20.003) 23.605 8.239 ( -1.344 1.220 -8.015) 8.218 8.460 ( 0.387 -6.409 -9.310) 11.309 9.097 ( -0.193 -2.480 -14.378) 14.591 9.491 ( 0.300 -6.403 -8.142) 10.363 10.192 ( -0.038 3.963 16.804) 17.265 10.851 ( -0.291 3.416 -1.157) 3.618 10.909 ( 0.523 -1.543 0.194) 1.641 10.975 ( -0.387 3.008 0.579) 3.088 11.110 ( 0.123 -0.083 3.417) 3.421 25.210 ( 0.566 -0.920 6.703) 6.789 25.260 ( -0.834 -5.311 7.730) 9.416 25.895 ( -1.069 10.585 -9.602) 14.331 26.028 ( 1.338 1.817 -6.959) 7.316 26.590 ( 0.846 4.317 -2.461) 5.041 26.990 ( -0.795 -7.552 4.294) 8.724 27.513 ( -0.024 0.482 -1.090) 1.192 27.659 ( -0.001 0.219 1.667) 1.681 ======================= Grid point 145 (81/105) ======================= q-point: ( 0.69 -0.19 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -5.317 5.397 1.019) 7.645 1.405 ( 4.666 -4.823 -0.718) 6.748 1.700 ( -5.288 3.220 1.544) 6.381 1.776 ( 1.560 4.819 -2.199) 5.522 1.827 ( -0.019 -4.996 0.159) 4.998 1.909 ( 2.773 -2.441 0.958) 3.817 2.048 ( 1.348 0.205 1.607) 2.108 2.090 ( 1.826 -2.950 -2.694) 4.392 2.787 ( -2.418 3.425 -2.704) 4.989 2.820 ( -4.099 2.371 7.857) 9.174 2.898 ( 1.834 -0.748 -7.157) 7.426 2.927 ( 0.851 -1.226 2.545) 2.950 4.433 ( -9.630 13.057 -4.988) 16.974 4.592 ( -11.793 7.437 5.594) 15.023 4.893 ( 6.104 -8.104 -3.011) 10.583 4.968 ( 5.472 -2.313 2.994) 6.652 5.526 ( -1.026 -0.260 -3.244) 3.412 5.704 ( 6.497 -5.368 1.407) 8.544 7.864 ( -5.972 5.979 -0.815) 8.490 8.108 ( 5.275 -5.364 1.525) 7.676 9.002 ( -7.783 7.754 2.577) 11.284 9.330 ( 7.526 -7.348 -3.062) 10.954 9.847 ( -5.840 5.473 2.006) 8.251 10.082 ( 4.982 -4.859 -2.643) 7.444 10.480 ( -5.145 5.560 1.859) 7.800 10.665 ( 0.539 1.032 1.714) 2.072 10.750 ( 0.908 -6.276 -1.695) 6.564 10.796 ( 5.153 -1.660 -0.414) 5.430 25.478 ( -1.713 2.349 0.689) 2.988 25.564 ( 1.463 -2.366 -1.122) 3.000 25.866 ( -4.136 4.526 -2.402) 6.585 26.037 ( 3.195 -3.785 1.673) 5.228 26.400 ( -6.358 7.416 2.361) 10.050 26.701 ( 6.455 -7.037 -1.198) 9.623 27.561 ( -1.452 1.439 0.295) 2.065 27.618 ( 1.121 -1.112 -0.357) 1.619 ======================= Grid point 149 (82/105) ======================= q-point: (-0.54 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -2.168 -5.562 -9.152) 10.927 1.116 ( -2.166 -4.563 -7.354) 8.921 1.440 ( 0.484 3.189 3.867) 5.036 1.767 ( 0.639 -3.498 6.626) 7.519 1.900 ( 2.240 1.424 -0.892) 2.800 2.002 ( -2.369 -2.718 2.014) 4.129 2.078 ( -0.770 -2.392 -1.331) 2.844 2.277 ( 0.316 -5.756 3.161) 6.575 2.510 ( 0.390 -0.637 -2.337) 2.453 2.689 ( 0.188 0.589 2.421) 2.499 2.698 ( 1.270 2.007 -2.217) 3.249 2.925 ( 0.382 1.360 3.931) 4.177 3.406 ( 7.794 -4.565 -2.218) 9.300 3.886 ( -6.702 -20.690 3.684) 22.058 4.652 ( -1.421 2.651 -3.197) 4.389 5.244 ( -5.628 4.740 -5.104) 8.955 5.657 ( 8.795 -5.517 7.594) 12.863 5.834 ( -2.732 -8.176 17.118) 19.166 7.983 ( 6.095 5.768 -8.345) 11.834 8.194 ( -5.837 6.485 -5.373) 10.247 8.732 ( 0.538 2.466 -9.403) 9.736 9.506 ( -3.044 -4.154 -7.173) 8.830 9.677 ( -0.497 1.853 10.578) 10.751 10.012 ( 3.877 -8.950 -2.243) 10.008 10.550 ( 3.047 10.913 2.988) 11.718 10.773 ( -2.329 2.883 -1.288) 3.923 10.846 ( -0.801 -0.506 4.691) 4.785 11.197 ( -0.263 -1.407 -2.018) 2.474 25.222 ( -0.658 -3.936 2.255) 4.583 25.435 ( -4.777 -8.517 3.897) 10.515 25.752 ( -0.061 3.307 -3.465) 4.790 25.962 ( 2.926 6.122 -1.801) 7.020 26.358 ( 3.176 8.547 -3.792) 9.875 27.158 ( -0.905 -4.113 2.455) 4.874 27.506 ( 0.442 1.028 -0.696) 1.318 27.618 ( -0.497 -0.402 1.173) 1.336 ======================= Grid point 150 (83/105) ======================= q-point: (-0.54 -0.21 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 10.711 -7.837 -3.747) 13.790 1.010 ( 2.554 -5.776 -13.165) 14.602 1.506 ( 3.027 -0.989 6.395) 7.144 1.703 ( 5.498 -6.358 10.376) 13.353 1.854 ( -2.994 -4.116 -3.445) 6.146 1.962 ( -0.675 2.059 2.593) 3.379 2.095 ( -0.421 0.223 -0.654) 0.809 2.194 ( 2.243 -2.508 -3.178) 4.628 2.512 ( 0.860 0.295 -2.856) 2.997 2.644 ( -1.512 -0.125 0.059) 1.519 2.838 ( 2.648 2.237 3.602) 4.999 2.897 ( 0.358 -3.796 4.043) 5.557 3.325 ( -2.192 -10.772 3.353) 11.493 3.573 ( 10.154 -9.153 -2.288) 13.860 4.763 ( 3.978 4.881 -1.800) 6.549 5.160 ( -3.498 -1.623 -0.518) 3.891 5.574 ( -1.917 -9.620 13.221) 16.463 5.752 ( 6.517 -2.145 11.470) 13.365 8.055 ( -9.848 5.648 -11.690) 16.296 8.364 ( 7.347 5.330 -3.245) 9.639 8.769 ( 0.460 -0.557 -14.074) 14.092 9.383 ( -1.299 -1.488 -6.023) 6.339 9.696 ( -1.493 2.223 14.565) 14.810 9.910 ( 3.614 -8.493 -5.955) 10.985 10.746 ( -3.500 3.307 3.184) 5.772 10.776 ( -3.347 3.906 2.178) 5.586 10.892 ( 4.178 5.398 0.575) 6.851 11.122 ( -2.647 -2.824 -1.065) 4.014 25.180 ( 2.094 -3.241 2.276) 4.480 25.241 ( 1.693 -4.621 5.153) 7.126 25.842 ( -1.363 6.440 -4.265) 7.843 26.051 ( -3.511 2.109 -2.806) 4.964 26.625 ( 4.753 5.956 -4.880) 9.049 26.984 ( -3.722 -5.034 4.274) 7.580 27.528 ( -0.087 0.474 -1.568) 1.641 27.612 ( -0.044 0.244 2.046) 2.061 ======================= Grid point 151 (84/105) ======================= q-point: (-0.54 -0.21 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 6.087 -6.063 -14.057) 16.475 1.050 ( 10.926 -6.133 -6.637) 14.179 1.507 ( 1.139 -3.890 6.692) 7.824 1.692 ( 6.065 -4.811 11.064) 13.504 1.834 ( 1.586 2.539 -1.374) 3.294 1.971 ( 0.048 0.966 5.063) 5.154 2.095 ( -1.118 0.978 -2.987) 3.335 2.183 ( 3.685 -3.495 -4.345) 6.684 2.528 ( -0.396 -0.614 -0.373) 0.820 2.658 ( -0.567 3.300 2.181) 3.996 2.755 ( -1.143 -4.341 -1.013) 4.601 2.926 ( 1.855 -0.630 4.707) 5.098 3.224 ( 2.105 1.735 2.872) 3.961 3.665 ( 16.176 -8.989 -2.399) 18.661 4.801 ( -3.324 -4.399 -3.879) 6.741 5.254 ( 8.248 8.715 13.202) 17.841 5.403 ( 0.902 -6.674 0.634) 6.765 5.812 ( 3.828 -2.696 12.517) 13.364 7.978 ( -8.515 6.743 -7.834) 13.392 8.436 ( -2.869 -4.306 -6.733) 8.491 8.759 ( 0.023 -0.300 -14.000) 14.003 9.426 ( 3.537 1.693 -2.645) 4.730 9.737 ( -0.649 2.664 10.357) 10.713 9.822 ( 4.769 -5.308 -4.785) 8.591 10.681 ( -7.679 3.009 3.689) 9.034 10.789 ( -1.729 2.537 3.431) 4.604 10.968 ( -3.956 -3.864 -0.697) 5.574 11.103 ( 3.859 3.656 -1.326) 5.478 25.163 ( 3.592 -2.141 2.658) 4.954 25.311 ( 8.535 -2.106 4.555) 9.901 25.902 ( -5.456 -0.576 -5.238) 7.585 25.964 ( -5.346 5.728 -2.193) 8.136 26.555 ( -8.400 -3.789 -4.292) 10.165 27.030 ( 5.710 2.884 4.015) 7.553 27.523 ( -0.909 0.179 -1.026) 1.383 27.618 ( 0.256 -0.036 1.558) 1.579 ======================= Grid point 160 (85/105) ======================= q-point: ( 0.22 -0.22 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 1.604 11.001 0.000) 11.118 0.969 ( -1.173 9.440 0.000) 9.512 1.541 ( -0.589 -5.916 -0.000) 5.946 1.906 ( -0.379 -4.403 -0.000) 4.419 2.028 ( 0.128 -4.048 -0.000) 4.050 2.078 ( -6.147 -1.186 -0.000) 6.260 2.209 ( -3.086 -1.664 -0.000) 3.506 2.261 ( -1.775 11.232 0.000) 11.371 2.420 ( 1.897 -3.977 -0.000) 4.406 2.423 ( 6.339 2.881 0.000) 6.963 2.804 ( 3.209 0.072 0.000) 3.210 2.896 ( 0.185 -3.146 -0.000) 3.151 3.570 ( 6.767 -0.759 0.000) 6.809 4.386 ( 1.443 19.299 0.000) 19.352 4.719 ( -9.482 -21.166 -0.000) 23.193 5.059 ( -5.317 3.055 -0.000) 6.132 5.867 ( -2.862 -6.848 -0.000) 7.422 6.010 ( 10.397 -8.931 0.000) 13.706 7.850 ( 6.545 1.294 0.000) 6.671 7.934 ( -7.008 11.463 0.000) 13.435 8.542 ( 0.404 8.211 0.000) 8.221 9.416 ( -4.153 10.956 0.000) 11.717 9.867 ( 3.856 -12.370 -0.000) 12.957 9.983 ( 2.149 13.124 0.000) 13.298 10.433 ( 2.494 -11.210 -0.000) 11.485 10.685 ( -1.766 0.095 -0.000) 1.769 10.988 ( 0.827 -5.538 -0.000) 5.600 11.179 ( -2.217 3.360 -0.000) 4.025 25.358 ( -4.840 -3.216 -0.000) 5.812 25.613 ( -5.637 -1.041 -0.000) 5.732 25.655 ( 2.751 7.490 0.000) 7.979 25.943 ( -0.054 -10.790 -0.000) 10.790 26.068 ( 4.771 8.170 0.000) 9.461 27.231 ( 1.930 -0.541 0.000) 2.004 27.471 ( 0.638 0.365 0.000) 0.735 27.653 ( -0.615 -1.232 -0.000) 1.377 ======================= Grid point 161 (86/105) ======================= q-point: ( 0.22 -0.22 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 9.846 2.091 0.000) 10.066 1.207 ( 2.691 6.905 0.000) 7.411 1.454 ( 2.043 -4.193 -0.000) 4.664 1.798 ( 0.115 -4.971 -0.000) 4.973 1.897 ( -4.389 -2.076 -0.000) 4.855 1.970 ( -1.116 -0.876 -0.000) 1.419 2.128 ( -1.452 0.085 -0.000) 1.455 2.287 ( -0.578 -6.369 -0.000) 6.395 2.481 ( -2.145 7.279 0.000) 7.589 2.612 ( 2.485 5.219 0.000) 5.780 2.857 ( 4.983 -5.911 0.000) 7.731 2.893 ( 3.259 0.772 0.000) 3.349 3.774 ( 14.228 -1.077 0.000) 14.268 4.101 ( -5.214 -22.750 -0.000) 23.340 4.727 ( 4.703 5.344 0.000) 7.119 5.076 ( -4.000 10.708 0.000) 11.431 5.559 ( -9.239 -9.014 -0.000) 12.908 6.002 ( 7.964 -10.566 0.000) 13.232 7.960 ( -9.083 7.187 -0.000) 11.582 8.108 ( 10.118 5.403 0.000) 11.470 8.752 ( 2.610 8.764 0.000) 9.144 9.491 ( -3.628 4.817 -0.000) 6.030 9.664 ( -0.334 -11.902 -0.000) 11.907 10.273 ( 1.462 -7.393 -0.000) 7.536 10.335 ( 3.820 12.444 0.000) 13.017 10.670 ( -1.551 3.311 0.000) 3.656 10.853 ( -1.986 -6.080 -0.000) 6.396 11.166 ( -4.133 1.672 -0.000) 4.459 25.243 ( -0.422 -1.914 -0.000) 1.960 25.447 ( -2.749 -5.455 -0.000) 6.109 25.798 ( 0.381 -4.020 -0.000) 4.038 25.896 ( 4.128 6.865 0.000) 8.011 26.338 ( 4.780 8.722 0.000) 9.946 27.154 ( -4.829 -3.532 -0.000) 5.983 27.514 ( 1.508 1.252 0.000) 1.960 27.609 ( -0.727 -1.571 -0.000) 1.731 ======================= Grid point 162 (87/105) ======================= q-point: (-0.78 -0.22 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 2.624 1.754 0.000) 3.157 1.372 ( 8.169 -5.163 0.000) 9.663 1.447 ( 3.629 -1.712 0.000) 4.013 1.763 ( 4.126 -1.315 0.000) 4.330 1.854 ( -0.118 2.596 0.000) 2.599 1.860 ( -5.088 -3.655 -0.000) 6.265 2.123 ( -2.085 -4.827 -0.000) 5.258 2.207 ( 2.307 4.596 0.000) 5.143 2.530 ( -2.646 2.291 -0.000) 3.500 2.697 ( -0.538 1.100 0.000) 1.225 2.869 ( 5.940 -4.018 0.000) 7.172 2.935 ( 2.137 -2.073 0.000) 2.977 3.585 ( 0.327 -20.994 -0.000) 20.997 4.075 ( 19.248 -4.721 0.000) 19.818 4.877 ( 7.394 0.855 0.000) 7.443 5.165 ( -9.114 -8.981 -0.000) 12.796 5.312 ( 0.250 12.940 0.000) 12.943 5.900 ( 1.875 -9.597 -0.000) 9.778 7.880 ( -7.760 3.122 -0.000) 8.365 8.412 ( 5.130 6.150 0.000) 8.009 8.999 ( 4.637 7.168 0.000) 8.538 9.350 ( -6.362 -10.861 -0.000) 12.587 9.533 ( 2.006 3.070 0.000) 3.667 10.171 ( -0.603 -4.356 -0.000) 4.397 10.541 ( -1.272 6.035 0.000) 6.167 10.661 ( -4.704 -5.515 -0.000) 7.249 10.850 ( 5.138 8.682 0.000) 10.088 11.076 ( -6.022 -0.109 -0.000) 6.023 25.274 ( 4.567 0.675 0.000) 4.616 25.323 ( 3.079 -5.984 -0.000) 6.730 25.756 ( -2.059 1.140 -0.000) 2.353 26.032 ( 1.145 0.091 0.000) 1.149 26.646 ( 4.907 10.620 0.000) 11.699 26.898 ( -9.377 -6.387 -0.000) 11.345 27.558 ( -1.155 -1.410 -0.000) 1.822 27.574 ( 1.689 1.130 0.000) 2.032 ======================= Grid point 164 (88/105) ======================= q-point: ( 0.22 0.78 -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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -3.128 -3.027 -0.000) 4.353 1.408 ( 2.486 -1.090 0.000) 2.714 1.566 ( 7.649 1.985 0.000) 7.903 1.618 ( -6.457 -7.442 -0.000) 9.853 1.896 ( 2.008 -2.732 0.000) 3.390 1.908 ( 8.480 0.943 0.000) 8.533 2.078 ( 0.199 2.972 0.000) 2.979 2.304 ( 1.329 0.129 0.000) 1.335 2.487 ( -2.925 -0.218 -0.000) 2.933 2.679 ( -0.343 -2.412 -0.000) 2.436 2.878 ( -0.400 -1.763 -0.000) 1.808 2.912 ( 1.880 -3.750 -0.000) 4.195 3.305 ( 4.943 -9.308 -0.000) 10.539 4.337 ( 21.341 -11.025 0.000) 24.021 4.859 ( -4.171 -6.584 -0.000) 7.794 5.142 ( 10.282 6.906 0.000) 12.386 5.569 ( 3.163 7.790 0.000) 8.408 5.660 ( -7.783 -7.477 -0.000) 10.793 7.810 ( -3.233 1.530 -0.000) 3.577 8.495 ( -4.494 0.672 -0.000) 4.544 8.990 ( -9.418 -6.767 -0.000) 11.597 9.242 ( 6.789 5.508 0.000) 8.742 9.756 ( 9.739 5.724 0.000) 11.297 10.023 ( -4.514 -5.511 -0.000) 7.124 10.437 ( -7.979 -3.012 -0.000) 8.529 10.654 ( 1.931 5.015 0.000) 5.375 10.924 ( -6.645 -1.334 -0.000) 6.778 11.108 ( 3.588 5.942 0.000) 6.941 25.326 ( 6.992 -4.658 0.000) 8.402 25.447 ( 8.515 2.368 0.000) 8.838 25.748 ( -4.527 4.523 -0.000) 6.399 25.960 ( -1.182 -6.169 -0.000) 6.281 26.530 ( -11.590 -6.836 -0.000) 13.456 26.938 ( 2.740 9.001 0.000) 9.409 27.508 ( -1.348 -0.691 -0.000) 1.515 27.623 ( 1.517 0.192 0.000) 1.529 ======================= Grid point 166 (89/105) ======================= q-point: ( 0.22 -0.22 -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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -8.026 -0.730 -0.000) 8.059 1.273 ( -8.061 -8.208 -0.000) 11.505 1.459 ( 5.025 -3.082 0.000) 5.895 1.796 ( 7.619 1.426 0.000) 7.751 1.905 ( 2.785 1.399 0.000) 3.117 2.073 ( 7.145 -2.712 0.000) 7.643 2.166 ( 1.760 2.463 0.000) 3.027 2.322 ( 4.103 -2.014 0.000) 4.571 2.420 ( -4.324 1.526 -0.000) 4.585 2.554 ( -7.186 -2.271 -0.000) 7.536 2.792 ( -3.821 0.051 -0.000) 3.821 2.877 ( 2.783 -3.763 0.000) 4.680 3.383 ( 5.349 3.534 0.000) 6.411 4.521 ( 21.275 -13.080 0.000) 24.974 4.674 ( -6.513 -3.006 -0.000) 7.174 5.314 ( -10.102 -5.825 -0.000) 11.661 5.562 ( 10.907 11.119 0.000) 15.576 5.757 ( 5.355 1.738 0.000) 5.630 7.798 ( -1.932 2.329 -0.000) 3.026 8.291 ( -9.756 -4.809 -0.000) 10.877 8.715 ( -8.661 -1.369 -0.000) 8.768 9.531 ( 10.393 5.033 0.000) 11.548 9.749 ( -8.617 -7.048 -0.000) 11.132 10.108 ( 11.410 5.640 0.000) 12.727 10.210 ( -11.069 0.254 -0.000) 11.072 10.770 ( -4.447 -1.715 -0.000) 4.766 10.824 ( 5.236 3.534 0.000) 6.317 11.224 ( -0.045 1.624 0.000) 1.625 25.371 ( 6.106 -5.113 0.000) 7.964 25.697 ( 9.866 2.489 0.000) 10.175 25.739 ( -6.443 4.526 -0.000) 7.874 25.772 ( -0.259 -9.160 -0.000) 9.164 26.200 ( -10.342 -1.078 -0.000) 10.398 27.130 ( 0.946 5.995 0.000) 6.069 27.477 ( -0.910 0.009 -0.000) 0.910 27.644 ( 1.184 -0.726 0.000) 1.389 ======================= Grid point 182 (90/105) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -0.000 -0.000 -7.518) 7.518 0.431 ( -0.000 -0.000 -7.518) 7.518 1.311 ( -0.000 -0.000 -26.486) 26.486 1.701 ( 0.000 0.000 15.657) 15.657 1.701 ( 0.000 0.000 15.657) 15.657 2.078 ( -0.000 -0.000 -6.357) 6.357 2.084 ( 0.000 0.000 4.918) 4.918 2.084 ( 0.000 0.000 4.918) 4.918 2.629 ( -0.000 -0.000 -3.640) 3.640 2.629 ( -0.000 -0.000 -3.640) 3.640 2.864 ( 0.000 0.000 6.110) 6.110 2.930 ( 0.000 0.000 9.294) 9.294 3.228 ( -0.000 -0.000 -1.993) 1.993 3.228 ( -0.000 -0.000 -1.993) 1.993 4.711 ( -0.000 -0.000 -2.210) 2.210 5.486 ( 0.000 0.000 13.255) 13.255 5.486 ( 0.000 0.000 13.255) 13.255 6.001 ( 0.000 0.000 20.263) 20.263 8.245 ( -0.000 -0.000 -19.192) 19.192 8.251 ( -0.000 -0.000 -8.933) 8.933 8.251 ( -0.000 -0.000 -8.933) 8.933 9.071 ( -0.000 -0.000 -14.947) 14.947 9.425 ( -0.000 -0.000 -8.363) 8.363 10.235 ( 0.000 0.000 17.667) 17.667 10.891 ( -0.000 -0.000 -1.203) 1.203 10.891 ( -0.000 -0.000 -1.203) 1.203 10.998 ( 0.000 0.000 0.321) 0.321 11.114 ( 0.000 0.000 4.908) 4.908 25.201 ( 0.000 0.000 7.193) 7.193 25.201 ( 0.000 0.000 7.193) 7.193 26.047 ( -0.000 -0.000 -7.236) 7.236 26.047 ( -0.000 -0.000 -7.236) 7.236 26.627 ( -0.000 -0.000 -1.945) 1.945 26.888 ( 0.000 0.000 2.778) 2.778 27.518 ( -0.000 -0.000 -1.073) 1.073 27.662 ( 0.000 0.000 1.658) 1.658 ======================= Grid point 191 (91/105) ======================= q-point: (-0.49 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -2.827 -9.255 -6.724) 11.784 0.986 ( -0.547 -8.405 -10.243) 13.261 1.466 ( 0.330 -1.200 8.153) 8.247 1.641 ( 0.160 -8.328 10.368) 13.299 1.888 ( 1.058 -3.119 -4.990) 5.979 1.972 ( -0.847 0.611 1.716) 2.009 2.093 ( -0.080 3.091 -3.495) 4.666 2.157 ( 0.921 -5.055 -0.767) 5.195 2.512 ( -0.688 1.761 -0.591) 1.981 2.683 ( -2.343 -0.100 0.360) 2.372 2.749 ( 4.738 1.348 2.216) 5.401 2.910 ( -0.847 -2.529 5.399) 6.022 3.313 ( 5.011 -4.207 -1.530) 6.720 3.504 ( -4.928 -15.100 2.380) 16.061 4.733 ( -1.274 4.850 -2.527) 5.615 5.254 ( -5.384 -2.372 -1.266) 6.018 5.480 ( 9.854 -9.536 12.104) 18.290 5.735 ( -4.007 -3.569 14.347) 15.318 8.132 ( 6.463 8.350 -10.159) 14.653 8.308 ( -6.255 4.484 -5.643) 9.543 8.762 ( 0.321 0.399 -13.378) 13.388 9.425 ( -1.840 -3.196 -6.431) 7.413 9.724 ( -1.634 1.429 10.069) 10.300 9.831 ( 3.634 -7.393 -1.227) 8.329 10.749 ( 2.895 7.430 1.626) 8.138 10.819 ( 0.418 2.765 3.682) 4.624 10.880 ( -3.921 2.799 0.818) 4.886 11.146 ( 0.417 -3.366 -1.292) 3.629 25.147 ( 0.579 -3.161 2.875) 4.312 25.258 ( -2.443 -7.810 4.616) 9.396 25.871 ( -1.450 7.713 -5.061) 9.338 26.075 ( 2.362 4.564 -3.097) 6.001 26.528 ( 2.294 7.469 -3.112) 8.410 27.047 ( -1.409 -6.536 3.433) 7.516 27.527 ( 0.155 0.860 -1.267) 1.540 27.615 ( -0.219 0.077 1.750) 1.766 ======================= Grid point 192 (92/105) ======================= q-point: (-0.49 -0.26 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 12.961 -5.614 -3.890) 14.651 0.833 ( 6.489 -11.125 -10.428) 16.572 1.450 ( 3.065 -3.485 9.041) 10.162 1.535 ( 6.968 -7.170 13.084) 16.466 1.828 ( -0.479 0.704 -9.910) 9.946 1.990 ( -1.240 0.621 3.307) 3.586 2.078 ( 2.673 -1.842 -1.450) 3.555 2.168 ( -1.592 0.372 -6.092) 6.307 2.558 ( -2.189 2.865 -0.198) 3.611 2.659 ( 0.073 2.173 2.615) 3.400 2.788 ( -1.826 -5.486 2.053) 6.136 2.860 ( 4.372 -0.591 4.403) 6.233 3.204 ( -0.512 -1.005 3.825) 3.988 3.399 ( 9.421 -7.605 -1.302) 12.177 4.831 ( 0.700 0.570 -6.663) 6.724 5.169 ( -0.377 3.845 9.842) 10.573 5.375 ( 1.332 -8.100 6.525) 10.486 5.699 ( 6.194 -3.608 14.931) 16.563 8.180 ( -10.007 6.399 -9.533) 15.230 8.437 ( 2.903 0.760 -4.882) 5.730 8.752 ( 0.382 -0.736 -16.982) 17.003 9.374 ( 1.176 0.197 -6.623) 6.729 9.697 ( 3.603 -3.563 -0.152) 5.069 9.794 ( -0.930 -0.630 10.048) 10.110 10.806 ( -4.210 3.340 2.930) 6.121 10.844 ( -3.469 2.044 2.012) 4.501 10.994 ( 3.591 2.825 -0.900) 4.657 11.052 ( -1.099 -2.899 0.760) 3.192 25.114 ( 1.168 -2.476 3.338) 4.317 25.167 ( 5.014 -2.709 4.413) 7.208 26.003 ( -3.756 7.648 -5.543) 10.165 26.082 ( -5.725 1.398 -2.845) 6.544 26.678 ( -2.024 -1.193 -4.597) 5.162 26.912 ( 3.965 -1.292 5.133) 6.613 27.537 ( -0.421 0.350 -1.469) 1.567 27.617 ( -0.100 0.221 1.934) 1.949 ======================= Grid point 202 (93/105) ======================= q-point: ( 0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -3.723 4.513 -0.000) 5.851 1.165 ( 1.188 7.416 0.000) 7.510 1.429 ( 0.169 -4.519 -0.000) 4.522 1.799 ( -0.251 -5.973 -0.000) 5.979 1.955 ( 2.173 -2.351 0.000) 3.201 1.989 ( -4.464 -4.313 -0.000) 6.207 2.168 ( -1.695 -1.878 -0.000) 2.530 2.295 ( -0.554 -4.741 -0.000) 4.774 2.512 ( 6.220 4.688 0.000) 7.789 2.521 ( -1.559 7.530 0.000) 7.689 2.819 ( -1.209 -3.866 -0.000) 4.050 2.827 ( 2.811 2.049 0.000) 3.478 3.525 ( 9.588 -3.207 0.000) 10.110 4.269 ( -10.561 -21.887 -0.000) 24.302 4.658 ( 1.492 5.936 0.000) 6.121 5.186 ( -6.150 9.770 0.000) 11.544 5.716 ( -5.258 -7.413 -0.000) 9.088 5.797 ( 11.082 -11.493 0.000) 15.965 7.909 ( 8.060 4.363 0.000) 9.165 8.149 ( -8.452 9.048 -0.000) 12.381 8.714 ( 1.031 8.284 0.000) 8.347 9.601 ( -6.612 6.594 -0.000) 9.338 9.625 ( 3.652 -10.748 -0.000) 11.351 10.212 ( 4.189 -9.802 -0.000) 10.660 10.255 ( 3.431 12.863 0.000) 13.313 10.721 ( -2.751 3.143 -0.000) 4.177 10.868 ( 0.654 -5.583 -0.000) 5.621 11.226 ( -1.471 1.058 -0.000) 1.812 25.282 ( -3.236 -3.941 -0.000) 5.099 25.563 ( -8.031 -5.505 -0.000) 9.737 25.770 ( 2.195 -3.765 -0.000) 4.358 25.820 ( 3.439 8.077 0.000) 8.779 26.237 ( 4.142 8.102 0.000) 9.100 27.200 ( 0.569 -2.428 -0.000) 2.493 27.487 ( 0.947 1.118 0.000) 1.465 27.626 ( -0.891 -1.230 -0.000) 1.519 ======================= Grid point 203 (94/105) ======================= q-point: (-0.72 -0.28 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 9.170 -6.137 0.000) 11.034 1.293 ( 2.929 0.985 0.000) 3.091 1.400 ( 1.936 -0.885 0.000) 2.129 1.691 ( 2.431 -5.370 -0.000) 5.895 1.894 ( -2.763 1.157 -0.000) 2.995 1.946 ( -2.279 -2.043 -0.000) 3.061 2.160 ( -1.588 -5.018 -0.000) 5.264 2.162 ( 1.794 3.470 0.000) 3.906 2.580 ( -1.865 2.225 -0.000) 2.903 2.716 ( -0.957 2.489 0.000) 2.667 2.722 ( 7.167 -4.717 0.000) 8.580 2.892 ( 1.926 -1.066 0.000) 2.201 3.642 ( -5.883 -20.664 -0.000) 21.486 3.719 ( 14.988 -4.176 0.000) 15.559 4.751 ( 4.340 0.087 0.000) 4.341 5.326 ( -1.759 10.355 0.000) 10.504 5.372 ( -10.139 -8.983 -0.000) 13.546 5.772 ( 9.354 -11.079 0.000) 14.500 8.087 ( -11.091 5.119 -0.000) 12.215 8.244 ( 10.131 7.396 0.000) 12.543 8.922 ( 2.738 7.663 0.000) 8.138 9.435 ( -1.758 -9.766 -0.000) 9.923 9.561 ( -4.225 2.099 -0.000) 4.717 10.132 ( 3.934 -6.651 -0.000) 7.727 10.567 ( 0.167 9.704 0.000) 9.706 10.744 ( -2.942 -3.833 -0.000) 4.832 10.768 ( 1.507 5.723 0.000) 5.918 11.177 ( -3.579 -0.736 -0.000) 3.654 25.206 ( 1.848 -1.764 0.000) 2.555 25.312 ( -1.946 -7.094 -0.000) 7.356 25.784 ( -0.666 2.540 0.000) 2.626 26.015 ( 0.741 4.418 0.000) 4.479 26.521 ( 6.655 8.802 0.000) 11.035 27.058 ( -5.735 -5.636 -0.000) 8.041 27.541 ( 1.465 1.289 0.000) 1.952 27.582 ( -1.120 -1.006 -0.000) 1.505 ======================= Grid point 205 (95/105) ======================= q-point: ( 0.28 0.72 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 10.578 -6.321 0.000) 12.323 1.343 ( 3.975 -2.588 0.000) 4.743 1.463 ( 3.341 1.809 0.000) 3.800 1.665 ( 5.259 -10.702 -0.000) 11.925 1.815 ( -3.049 1.413 -0.000) 3.361 1.868 ( -0.469 -0.647 -0.000) 0.799 2.085 ( -0.788 0.879 -0.000) 1.181 2.284 ( 0.969 1.806 0.000) 2.050 2.549 ( -2.728 -0.120 -0.000) 2.731 2.653 ( 2.410 -3.748 0.000) 4.456 2.851 ( 2.601 0.715 0.000) 2.697 2.877 ( 1.541 -3.327 -0.000) 3.666 3.239 ( 0.961 -10.385 -0.000) 10.429 3.923 ( 17.969 -9.610 0.000) 20.377 4.936 ( 8.906 5.192 0.000) 10.309 4.986 ( -8.206 -8.005 -0.000) 11.464 5.504 ( 2.927 5.104 0.000) 5.884 5.707 ( 3.144 -8.611 -0.000) 9.167 7.948 ( -9.718 3.774 -0.000) 10.425 8.516 ( 2.598 3.182 0.000) 4.108 9.133 ( 3.911 5.807 0.000) 7.001 9.163 ( -6.922 -6.849 -0.000) 9.738 9.604 ( 4.228 4.068 0.000) 5.868 10.052 ( 1.403 -7.398 -0.000) 7.530 10.596 ( -6.899 -0.400 -0.000) 6.911 10.657 ( -2.186 4.907 0.000) 5.372 11.012 ( 5.395 6.656 0.000) 8.568 11.050 ( -5.256 -2.375 -0.000) 5.767 25.210 ( 3.844 -4.746 0.000) 6.107 25.283 ( 6.990 -0.100 0.000) 6.991 25.832 ( -3.455 5.944 0.000) 6.876 26.008 ( -3.227 -2.050 -0.000) 3.823 26.753 ( -9.664 -7.277 -0.000) 12.097 26.846 ( 6.082 8.262 0.000) 10.259 27.539 ( -1.522 -0.419 -0.000) 1.578 27.592 ( 1.424 0.548 0.000) 1.526 ======================= Grid point 207 (96/105) ======================= q-point: ( 0.28 0.72 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -0.301 -2.060 -0.000) 2.082 1.356 ( 5.166 -8.393 -0.000) 9.855 1.407 ( -3.721 -7.369 -0.000) 8.255 1.630 ( 7.409 2.665 0.000) 7.874 1.872 ( 0.688 1.309 0.000) 1.479 1.925 ( 5.684 0.899 0.000) 5.755 2.130 ( 1.385 1.554 0.000) 2.082 2.267 ( 1.405 -3.122 -0.000) 3.424 2.499 ( -2.957 1.839 -0.000) 3.482 2.620 ( -0.416 -1.950 -0.000) 1.993 2.831 ( 1.539 -3.804 -0.000) 4.103 2.858 ( -1.163 -0.447 -0.000) 1.246 3.276 ( 4.546 5.014 0.000) 6.768 4.080 ( 20.492 -13.006 0.000) 24.272 4.747 ( -2.690 -3.917 -0.000) 4.752 5.321 ( 11.759 10.068 0.000) 15.480 5.511 ( -6.767 -6.652 -0.000) 9.489 5.644 ( 5.641 -0.531 0.000) 5.666 7.878 ( -6.028 5.273 -0.000) 8.008 8.454 ( -5.719 -4.675 -0.000) 7.386 8.898 ( -8.698 -2.281 -0.000) 8.992 9.349 ( 6.998 4.714 0.000) 8.438 9.867 ( -2.789 -8.715 -0.000) 9.150 9.886 ( 9.749 6.670 0.000) 11.813 10.438 ( -10.560 2.480 -0.000) 10.848 10.741 ( 2.348 3.083 0.000) 3.875 10.876 ( -5.349 -3.166 -0.000) 6.215 11.198 ( 2.558 2.724 0.000) 3.737 25.242 ( 6.006 -3.230 0.000) 6.820 25.464 ( 10.869 -1.440 0.000) 10.963 25.840 ( -4.817 -4.369 -0.000) 6.503 25.871 ( -6.096 6.538 -0.000) 8.939 26.414 ( -10.093 -3.675 -0.000) 10.742 27.084 ( 3.610 4.740 0.000) 5.958 27.504 ( -1.555 0.189 -0.000) 1.567 27.619 ( 1.179 -0.517 0.000) 1.288 ======================= Grid point 234 (97/105) ======================= q-point: (-0.43 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -2.166 -8.465 -3.731) 9.501 0.745 ( 1.151 -14.166 -6.396) 15.586 1.411 ( 0.370 -3.097 10.964) 11.399 1.457 ( -0.169 -7.668 11.959) 14.207 1.840 ( -0.172 -0.935 -14.785) 14.815 1.996 ( 0.423 1.179 2.018) 2.375 2.051 ( -0.357 -3.616 0.095) 3.635 2.183 ( 0.348 3.395 -5.262) 6.272 2.589 ( -0.022 5.276 1.015) 5.373 2.687 ( -3.325 0.531 2.714) 4.325 2.747 ( 5.266 -1.360 2.378) 5.936 2.833 ( -1.737 -4.784 3.951) 6.443 3.238 ( 1.272 -2.730 1.273) 3.270 3.277 ( -1.405 -6.821 2.265) 7.324 4.818 ( -0.369 2.352 -6.954) 7.350 5.221 ( -3.199 0.735 6.274) 7.080 5.318 ( 4.529 -5.614 8.658) 11.269 5.632 ( -1.122 -6.091 16.932) 18.029 8.310 ( 4.115 7.949 -8.956) 12.662 8.382 ( -4.171 2.535 -5.236) 7.158 8.747 ( 0.123 -1.796 -17.740) 17.831 9.372 ( -0.461 -1.908 -7.642) 7.890 9.648 ( 0.284 -5.281 -4.914) 7.219 9.805 ( 0.237 1.744 16.029) 16.126 10.852 ( -0.372 3.848 1.608) 4.187 10.893 ( 3.246 2.522 0.715) 4.172 10.943 ( -3.649 3.054 1.611) 5.023 11.064 ( 0.740 -4.252 0.626) 4.361 25.095 ( 0.729 -1.744 3.603) 4.068 25.126 ( -0.992 -4.608 4.234) 6.335 26.054 ( -1.120 9.019 -4.853) 10.303 26.147 ( 1.205 2.359 -3.751) 4.592 26.652 ( 1.016 3.875 -2.965) 4.984 26.898 ( -0.839 -6.924 3.861) 7.972 27.541 ( 0.015 0.487 -1.460) 1.539 27.619 ( -0.031 0.233 1.905) 1.919 ======================= Grid point 245 (98/105) ======================= q-point: (-0.67 -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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -7.216 -5.618 -0.000) 9.145 1.248 ( 0.941 -0.098 0.000) 0.946 1.375 ( 0.272 -0.737 -0.000) 0.786 1.660 ( 0.872 -7.237 -0.000) 7.290 1.934 ( -0.580 -0.858 -0.000) 1.036 1.934 ( 3.084 -0.240 0.000) 3.093 2.143 ( 0.174 0.009 0.000) 0.174 2.201 ( -2.693 -3.745 -0.000) 4.612 2.577 ( 5.675 0.566 0.000) 5.703 2.602 ( -0.403 1.056 0.000) 1.130 2.761 ( -2.825 -0.897 -0.000) 2.964 2.862 ( 0.828 0.379 0.000) 0.911 3.449 ( 10.882 -3.976 0.000) 11.586 3.823 ( -11.074 -20.346 -0.000) 23.164 4.705 ( 0.040 0.990 0.000) 0.991 5.392 ( -4.598 7.832 0.000) 9.082 5.543 ( 6.901 -11.168 -0.000) 13.128 5.563 ( -2.653 -8.449 -0.000) 8.856 8.032 ( 9.360 7.481 0.000) 11.983 8.306 ( -9.265 5.941 -0.000) 11.006 8.885 ( 0.778 8.043 0.000) 8.081 9.426 ( 2.349 -8.145 -0.000) 8.477 9.690 ( -7.776 2.139 -0.000) 8.065 10.023 ( 6.213 -8.575 0.000) 10.589 10.512 ( 4.032 11.704 0.000) 12.379 10.775 ( 0.082 -2.966 -0.000) 2.967 10.801 ( -3.525 4.170 -0.000) 5.460 11.220 ( -0.563 -1.562 -0.000) 1.660 25.197 ( -0.953 -4.145 -0.000) 4.253 25.389 ( -4.737 -9.461 -0.000) 10.581 25.793 ( -0.656 4.512 0.000) 4.559 25.981 ( 3.269 7.114 0.000) 7.829 26.406 ( 3.227 8.067 0.000) 8.689 27.127 ( -0.675 -4.703 -0.000) 4.751 27.515 ( 0.929 1.536 0.000) 1.795 27.603 ( -0.932 -0.931 -0.000) 1.317 ======================= Grid point 247 (99/105) ======================= q-point: (-0.67 -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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 11.038 -8.548 0.000) 13.961 1.239 ( 5.637 -6.454 0.000) 8.569 1.387 ( 3.274 -1.174 0.000) 3.478 1.544 ( 4.498 -9.615 -0.000) 10.615 1.900 ( -3.307 -1.081 -0.000) 3.479 1.919 ( -3.246 0.982 -0.000) 3.391 2.103 ( -1.017 -0.164 -0.000) 1.031 2.250 ( 2.560 3.682 0.000) 4.484 2.590 ( -1.091 -0.857 -0.000) 1.387 2.594 ( 2.890 -4.470 0.000) 5.323 2.794 ( 2.249 2.482 0.000) 3.349 2.849 ( 0.996 -2.686 -0.000) 2.865 3.282 ( -5.309 -12.744 -0.000) 13.806 3.596 ( 13.554 -7.617 0.000) 15.548 4.793 ( 4.378 4.576 0.000) 6.333 5.187 ( -10.499 -8.600 -0.000) 13.572 5.458 ( 1.206 2.056 0.000) 2.384 5.559 ( 10.111 -8.994 0.000) 13.533 8.181 ( -11.686 4.221 -0.000) 12.425 8.397 ( 8.191 6.675 0.000) 10.567 9.070 ( 2.205 6.432 0.000) 6.800 9.269 ( -3.132 -6.000 -0.000) 6.769 9.591 ( -2.714 1.115 -0.000) 2.935 9.980 ( 5.227 -8.116 0.000) 9.653 10.710 ( -3.934 0.733 -0.000) 4.002 10.730 ( -4.086 5.820 -0.000) 7.111 10.895 ( 5.324 6.104 0.000) 8.100 11.135 ( -2.815 -3.191 -0.000) 4.255 25.166 ( 4.104 -2.150 0.000) 4.633 25.172 ( -0.177 -5.946 -0.000) 5.949 25.890 ( -2.188 7.320 0.000) 7.640 26.082 ( -3.426 2.212 -0.000) 4.078 26.694 ( 7.930 7.469 0.000) 10.893 26.922 ( -6.281 -7.297 -0.000) 9.628 27.565 ( 1.081 1.015 0.000) 1.483 27.568 ( -1.234 -0.300 -0.000) 1.270 ======================= Grid point 249 (100/105) ======================= q-point: ( 0.33 0.67 -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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 11.487 -2.582 0.000) 11.773 1.204 ( 9.461 -13.235 0.000) 16.269 1.419 ( 2.343 -7.936 -0.000) 8.275 1.487 ( 7.225 0.170 0.000) 7.227 1.878 ( -1.006 3.858 0.000) 3.987 1.881 ( -1.908 2.298 -0.000) 2.986 2.123 ( -0.682 2.294 0.000) 2.393 2.257 ( -0.227 -4.065 -0.000) 4.072 2.540 ( -1.216 -0.365 -0.000) 1.270 2.602 ( 1.750 -0.974 0.000) 2.003 2.810 ( 0.635 -2.728 -0.000) 2.801 2.842 ( 1.801 -0.952 0.000) 2.037 3.193 ( 3.522 4.532 0.000) 5.740 3.693 ( 16.239 -11.983 0.000) 20.181 4.840 ( -6.732 -5.744 -0.000) 8.850 5.094 ( 9.512 9.698 0.000) 13.584 5.523 ( 5.755 -3.026 0.000) 6.502 5.552 ( 2.874 -5.989 -0.000) 6.643 8.051 ( -10.242 6.287 -0.000) 12.017 8.523 ( -0.870 -2.804 -0.000) 2.935 9.066 ( -7.145 -2.676 -0.000) 7.629 9.238 ( 3.870 4.051 0.000) 5.602 9.711 ( 6.753 6.119 0.000) 9.112 9.875 ( 1.762 -9.034 -0.000) 9.204 10.636 ( -8.102 3.762 -0.000) 8.933 10.736 ( -1.896 2.520 -0.000) 3.153 10.978 ( -4.290 -4.366 -0.000) 6.121 11.121 ( 4.764 3.658 0.000) 6.006 25.134 ( 4.140 -2.401 0.000) 4.785 25.260 ( 8.485 -2.087 0.000) 8.738 25.963 ( -6.853 -1.985 -0.000) 7.135 25.986 ( -4.812 8.024 0.000) 9.356 26.613 ( -8.790 -5.558 -0.000) 10.400 26.976 ( 6.669 3.974 0.000) 7.763 27.538 ( -1.626 0.239 -0.000) 1.644 27.597 ( 0.929 -0.075 0.000) 0.933 ======================= Grid point 278 (101/105) ======================= q-point: (-0.37 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -0.000 -0.000 -1.977) 1.977 0.540 ( -0.000 -0.000 -1.977) 1.977 1.373 ( 0.000 0.000 11.938) 11.938 1.373 ( 0.000 0.000 11.938) 11.938 1.836 ( -0.000 -0.000 -20.773) 20.773 2.010 ( 0.000 0.000 2.108) 2.108 2.010 ( 0.000 0.000 2.108) 2.108 2.221 ( -0.000 -0.000 -5.635) 5.635 2.703 ( 0.000 0.000 10.477) 10.477 2.714 ( 0.000 0.000 7.152) 7.152 2.717 ( -0.000 -0.000 -3.886) 3.886 2.717 ( -0.000 -0.000 -3.886) 3.886 3.209 ( 0.000 0.000 2.962) 2.962 3.209 ( 0.000 0.000 2.962) 2.962 4.834 ( -0.000 -0.000 -9.357) 9.357 5.257 ( 0.000 0.000 6.931) 6.931 5.257 ( 0.000 0.000 6.931) 6.931 5.542 ( 0.000 0.000 20.591) 20.591 8.409 ( -0.000 -0.000 -5.038) 5.038 8.409 ( -0.000 -0.000 -5.038) 5.038 8.715 ( -0.000 -0.000 -22.660) 22.660 9.351 ( -0.000 -0.000 -8.152) 8.152 9.590 ( -0.000 -0.000 -5.610) 5.610 9.826 ( 0.000 0.000 17.906) 17.906 10.916 ( -0.000 -0.000 -0.923) 0.923 10.916 ( -0.000 -0.000 -0.923) 0.923 10.968 ( 0.000 0.000 1.814) 1.814 11.006 ( 0.000 0.000 4.322) 4.322 25.076 ( 0.000 0.000 3.928) 3.928 25.076 ( 0.000 0.000 3.928) 3.928 26.172 ( -0.000 -0.000 -3.956) 3.956 26.172 ( -0.000 -0.000 -3.956) 3.956 26.679 ( -0.000 -0.000 -2.742) 2.742 26.819 ( 0.000 0.000 3.315) 3.315 27.546 ( -0.000 -0.000 -1.452) 1.452 27.622 ( 0.000 0.000 1.879) 1.879 ======================= Grid point 291 (102/105) ======================= q-point: (-0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -7.678 -11.483 -0.000) 13.813 1.142 ( 2.853 -10.255 -0.000) 10.645 1.352 ( -0.231 -2.262 -0.000) 2.273 1.490 ( 0.903 -9.355 -0.000) 9.399 1.927 ( 0.909 0.042 0.000) 0.910 1.944 ( 1.546 1.375 0.000) 2.069 2.156 ( -4.473 -0.366 -0.000) 4.488 2.182 ( 3.436 3.020 0.000) 4.575 2.547 ( 1.323 -1.854 0.000) 2.278 2.597 ( 0.083 -0.937 -0.000) 0.941 2.775 ( -0.480 1.150 0.000) 1.246 2.836 ( 0.301 -2.323 -0.000) 2.343 3.353 ( 9.929 -5.525 0.000) 11.363 3.452 ( -10.500 -14.640 -0.000) 18.016 4.762 ( -1.371 5.183 0.000) 5.362 5.322 ( 11.648 -9.212 0.000) 14.850 5.396 ( -8.577 -7.950 -0.000) 11.695 5.466 ( -2.214 -0.905 -0.000) 2.392 8.211 ( 8.860 9.240 0.000) 12.801 8.400 ( -8.707 3.311 -0.000) 9.315 9.043 ( 0.287 6.924 0.000) 6.930 9.292 ( 0.915 -4.764 -0.000) 4.851 9.700 ( -7.307 -0.917 -0.000) 7.364 9.850 ( 6.872 -8.026 0.000) 10.566 10.731 ( 4.572 9.016 0.000) 10.109 10.757 ( -0.566 1.336 0.000) 1.451 10.880 ( -4.359 3.168 -0.000) 5.389 11.162 ( 0.314 -3.954 -0.000) 3.966 25.115 ( 0.730 -3.570 -0.000) 3.644 25.206 ( -2.645 -7.747 -0.000) 8.186 25.928 ( -1.553 8.038 0.000) 8.187 26.109 ( 2.254 5.084 0.000) 5.561 26.568 ( 2.434 7.301 0.000) 7.696 27.004 ( -1.389 -7.047 -0.000) 7.183 27.547 ( 0.656 1.446 0.000) 1.588 27.589 ( -0.692 -0.484 -0.000) 0.844 ======================= Grid point 293 (103/105) ======================= q-point: ( 0.39 0.61 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 15.706 -4.752 0.000) 16.409 0.986 ( 10.386 -17.653 -0.000) 20.482 1.342 ( 5.549 -2.676 0.000) 6.160 1.349 ( 3.429 -6.636 -0.000) 7.470 1.923 ( -2.306 2.688 -0.000) 3.541 1.943 ( -3.277 1.234 -0.000) 3.502 2.141 ( -0.792 3.310 0.000) 3.403 2.259 ( 0.602 -2.933 -0.000) 2.994 2.563 ( -1.190 -1.341 -0.000) 1.793 2.564 ( 1.519 1.082 0.000) 1.865 2.798 ( 0.625 -1.872 -0.000) 1.974 2.807 ( 1.511 -1.009 0.000) 1.816 3.149 ( -0.269 -0.151 -0.000) 0.309 3.412 ( 10.930 -9.588 0.000) 14.539 4.945 ( 4.329 9.715 0.000) 10.636 5.023 ( -10.308 -6.849 -0.000) 12.376 5.412 ( 9.791 -4.790 0.000) 10.899 5.416 ( 4.177 -5.667 0.000) 7.040 8.275 ( -10.422 4.976 -0.000) 11.548 8.491 ( 3.694 1.685 0.000) 4.061 9.181 ( 1.793 3.909 0.000) 4.300 9.184 ( -3.956 -2.408 -0.000) 4.631 9.625 ( 1.058 2.621 0.000) 2.826 9.806 ( 4.518 -8.047 -0.000) 9.228 10.767 ( -4.443 4.356 -0.000) 6.222 10.811 ( -4.983 2.124 -0.000) 5.417 11.006 ( 6.038 4.238 0.000) 7.377 11.047 ( -2.149 -5.141 -0.000) 5.572 25.077 ( 1.262 -2.977 -0.000) 3.233 25.118 ( 5.041 -2.313 0.000) 5.546 26.067 ( -2.938 8.761 0.000) 9.241 26.111 ( -6.735 0.623 -0.000) 6.764 26.768 ( -5.879 -6.763 -0.000) 8.961 26.816 ( 8.122 3.875 0.000) 8.999 27.567 ( -1.124 0.136 -0.000) 1.132 27.581 ( 0.569 0.451 0.000) 0.726 ======================= Grid point 336 (104/105) ======================= q-point: (-0.56 -0.44 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 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -5.661 -10.945 -0.000) 12.323 0.823 ( 4.210 -19.108 -0.000) 19.567 1.283 ( -0.042 -3.676 -0.000) 3.676 1.308 ( 0.055 -6.684 -0.000) 6.684 1.954 ( -0.470 2.214 0.000) 2.263 1.974 ( 1.076 1.182 0.000) 1.598 2.178 ( -3.454 1.800 -0.000) 3.895 2.217 ( 3.337 -0.287 0.000) 3.350 2.547 ( 0.015 2.008 0.000) 2.008 2.582 ( -0.156 -0.226 -0.000) 0.275 2.782 ( 0.465 -0.511 0.000) 0.692 2.789 ( -0.127 -1.802 -0.000) 1.806 3.228 ( 6.723 -5.673 0.000) 8.796 3.229 ( -7.089 -6.806 -0.000) 9.827 4.923 ( -2.183 9.876 0.000) 10.114 5.174 ( 10.913 -4.826 0.000) 11.933 5.247 ( -9.147 -5.733 -0.000) 10.795 5.366 ( 0.296 -8.108 -0.000) 8.114 8.388 ( 5.663 6.919 0.000) 8.941 8.450 ( -5.654 1.534 -0.000) 5.858 9.161 ( 0.049 4.099 0.000) 4.099 9.224 ( 0.123 -1.939 -0.000) 1.942 9.667 ( -4.783 -1.763 -0.000) 5.097 9.705 ( 4.765 -5.382 0.000) 7.188 10.823 ( -1.004 4.638 0.000) 4.745 10.877 ( 5.864 4.837 0.000) 7.601 10.930 ( -5.816 1.610 -0.000) 6.035 11.061 ( 0.943 -5.588 -0.000) 5.667 25.055 ( 0.967 -2.092 -0.000) 2.305 25.078 ( -1.231 -4.321 -0.000) 4.492 26.108 ( -1.009 8.460 0.000) 8.520 26.189 ( 1.034 2.600 0.000) 2.798 26.696 ( 1.432 4.605 0.000) 4.822 26.845 ( -1.212 -7.597 -0.000) 7.693 27.572 ( 0.317 0.875 0.000) 0.931 27.583 ( -0.328 -0.130 -0.000) 0.353 ======================= Grid point 382 (105/105) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 2.71e-05 2.71e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( -0.000 -0.000 -0.000) 0.000 0.545 ( -0.000 -0.000 -0.000) 0.000 1.238 ( -0.000 -0.000 -0.000) 0.000 1.238 ( -0.000 -0.000 -0.000) 0.000 1.987 ( -0.000 -0.000 -0.000) 0.000 1.987 ( -0.000 -0.000 -0.000) 0.000 2.201 ( -0.000 -0.000 -10.565) 10.565 2.201 ( 0.000 0.000 10.565) 10.565 2.584 ( -0.000 -0.000 -2.459) 2.459 2.584 ( 0.000 0.000 2.459) 2.459 2.769 ( -0.000 -0.000 -0.000) 0.000 2.769 ( -0.000 -0.000 -0.000) 0.000 3.160 ( -0.000 -0.000 -0.000) 0.000 3.160 ( -0.000 -0.000 -0.000) 0.000 5.124 ( -0.000 -0.000 -16.619) 16.619 5.124 ( 0.000 0.000 16.619) 16.619 5.182 ( -0.000 -0.000 -0.000) 0.000 5.182 ( -0.000 -0.000 -0.000) 0.000 8.466 ( -0.000 -0.000 -0.000) 0.000 8.466 ( -0.000 -0.000 -0.000) 0.000 9.205 ( -0.000 -0.000 -19.976) 19.976 9.205 ( 0.000 0.000 19.976) 19.976 9.646 ( -0.000 -0.000 -0.156) 0.156 9.646 ( 0.000 0.000 0.156) 0.156 10.927 ( -0.000 -0.000 -0.000) 0.000 10.927 ( -0.000 -0.000 -0.000) 0.000 10.948 ( -0.000 -0.000 -0.654) 0.654 10.948 ( 0.000 0.000 0.654) 0.654 25.033 ( -0.000 -0.000 -0.000) 0.000 25.033 ( -0.000 -0.000 -0.000) 0.000 26.216 ( -0.000 -0.000 -0.000) 0.000 26.216 ( -0.000 -0.000 -0.000) 0.000 26.746 ( -0.000 -0.000 -3.254) 3.254 26.746 ( 0.000 0.000 3.254) 3.254 27.582 ( -0.000 -0.000 -1.751) 1.751 27.582 ( 0.000 0.000 1.751) 1.751 =================== 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 3/23328 10.0 40.218 40.218 22.753 0.000 0.000 0.000 3/23328 20.0 9.498 9.498 5.864 0.000 0.000 0.000 3/23328 30.0 4.697 4.697 3.103 0.000 0.000 0.000 3/23328 40.0 3.138 3.138 2.138 0.000 0.000 0.000 3/23328 50.0 2.408 2.408 1.664 0.000 0.000 0.000 3/23328 60.0 1.990 1.990 1.390 0.000 0.000 0.000 3/23328 70.0 1.719 1.719 1.213 0.000 0.000 0.000 3/23328 80.0 1.528 1.528 1.089 0.000 0.000 0.000 3/23328 90.0 1.384 1.384 0.995 0.000 0.000 0.000 3/23328 100.0 1.272 1.272 0.921 0.000 0.000 0.000 3/23328 110.0 1.180 1.180 0.860 0.000 0.000 0.000 3/23328 120.0 1.103 1.103 0.808 0.000 0.000 0.000 3/23328 130.0 1.037 1.037 0.763 0.000 0.000 0.000 3/23328 140.0 0.981 0.981 0.723 0.000 0.000 0.000 3/23328 150.0 0.931 0.931 0.688 0.000 0.000 0.000 3/23328 160.0 0.887 0.887 0.656 0.000 0.000 0.000 3/23328 170.0 0.847 0.847 0.628 0.000 0.000 0.000 3/23328 180.0 0.812 0.812 0.602 0.000 0.000 0.000 3/23328 190.0 0.781 0.781 0.579 0.000 0.000 0.000 3/23328 200.0 0.752 0.752 0.557 0.000 0.000 0.000 3/23328 210.0 0.726 0.726 0.538 0.000 0.000 0.000 3/23328 220.0 0.702 0.702 0.520 0.000 0.000 0.000 3/23328 230.0 0.680 0.680 0.503 0.000 0.000 0.000 3/23328 240.0 0.660 0.660 0.488 0.000 0.000 0.000 3/23328 250.0 0.641 0.641 0.474 0.000 0.000 0.000 3/23328 260.0 0.624 0.624 0.460 0.000 0.000 0.000 3/23328 270.0 0.608 0.608 0.448 0.000 0.000 0.000 3/23328 280.0 0.592 0.592 0.436 0.000 0.000 0.000 3/23328 290.0 0.578 0.578 0.425 0.000 0.000 0.000 3/23328 300.0 0.564 0.564 0.415 0.000 0.000 0.000 3/23328 310.0 0.551 0.551 0.405 0.000 0.000 0.000 3/23328 320.0 0.539 0.539 0.395 0.000 0.000 0.000 3/23328 330.0 0.528 0.528 0.386 0.000 0.000 0.000 3/23328 340.0 0.517 0.517 0.378 0.000 0.000 0.000 3/23328 350.0 0.506 0.506 0.370 0.000 0.000 0.000 3/23328 360.0 0.496 0.496 0.362 0.000 0.000 0.000 3/23328 370.0 0.486 0.486 0.355 0.000 0.000 0.000 3/23328 380.0 0.477 0.477 0.348 0.000 0.000 0.000 3/23328 390.0 0.468 0.468 0.341 0.000 0.000 0.000 3/23328 400.0 0.459 0.459 0.334 0.000 0.000 0.000 3/23328 410.0 0.451 0.451 0.328 0.000 0.000 0.000 3/23328 420.0 0.443 0.443 0.322 0.000 0.000 0.000 3/23328 430.0 0.435 0.435 0.316 0.000 0.000 0.000 3/23328 440.0 0.428 0.428 0.310 0.000 0.000 0.000 3/23328 450.0 0.420 0.420 0.305 0.000 0.000 0.000 3/23328 460.0 0.413 0.413 0.299 0.000 0.000 0.000 3/23328 470.0 0.407 0.407 0.294 0.000 0.000 0.000 3/23328 480.0 0.400 0.400 0.289 0.000 0.000 0.000 3/23328 490.0 0.394 0.394 0.285 0.000 0.000 0.000 3/23328 500.0 0.387 0.387 0.280 0.000 0.000 0.000 3/23328 510.0 0.381 0.381 0.275 0.000 0.000 0.000 3/23328 520.0 0.376 0.376 0.271 0.000 0.000 0.000 3/23328 530.0 0.370 0.370 0.267 0.000 0.000 0.000 3/23328 540.0 0.364 0.364 0.263 0.000 0.000 0.000 3/23328 550.0 0.359 0.359 0.259 0.000 0.000 0.000 3/23328 560.0 0.354 0.354 0.255 0.000 0.000 0.000 3/23328 570.0 0.349 0.349 0.251 0.000 0.000 0.000 3/23328 580.0 0.344 0.344 0.248 0.000 0.000 0.000 3/23328 590.0 0.339 0.339 0.244 0.000 0.000 0.000 3/23328 600.0 0.334 0.334 0.240 0.000 0.000 0.000 3/23328 610.0 0.330 0.330 0.237 0.000 0.000 0.000 3/23328 620.0 0.325 0.325 0.234 0.000 0.000 0.000 3/23328 630.0 0.321 0.321 0.231 0.000 0.000 0.000 3/23328 640.0 0.317 0.317 0.228 0.000 0.000 0.000 3/23328 650.0 0.313 0.313 0.224 0.000 0.000 0.000 3/23328 660.0 0.308 0.308 0.222 0.000 0.000 0.000 3/23328 670.0 0.305 0.305 0.219 0.000 0.000 0.000 3/23328 680.0 0.301 0.301 0.216 0.000 0.000 0.000 3/23328 690.0 0.297 0.297 0.213 0.000 0.000 0.000 3/23328 700.0 0.293 0.293 0.210 0.000 0.000 0.000 3/23328 710.0 0.290 0.290 0.208 0.000 0.000 0.000 3/23328 720.0 0.286 0.286 0.205 0.000 0.000 0.000 3/23328 730.0 0.283 0.283 0.203 0.000 0.000 0.000 3/23328 740.0 0.280 0.280 0.200 0.000 0.000 0.000 3/23328 750.0 0.276 0.276 0.198 0.000 0.000 0.000 3/23328 760.0 0.273 0.273 0.196 0.000 0.000 0.000 3/23328 770.0 0.270 0.270 0.193 0.000 0.000 0.000 3/23328 780.0 0.267 0.267 0.191 0.000 0.000 0.000 3/23328 790.0 0.264 0.264 0.189 0.000 0.000 0.000 3/23328 800.0 0.261 0.261 0.187 0.000 0.000 0.000 3/23328 810.0 0.258 0.258 0.185 0.000 0.000 0.000 3/23328 820.0 0.255 0.255 0.183 0.000 0.000 0.000 3/23328 830.0 0.253 0.253 0.181 0.000 0.000 0.000 3/23328 840.0 0.250 0.250 0.179 0.000 0.000 0.000 3/23328 850.0 0.247 0.247 0.177 0.000 0.000 0.000 3/23328 860.0 0.245 0.245 0.175 0.000 0.000 0.000 3/23328 870.0 0.242 0.242 0.173 0.000 0.000 0.000 3/23328 880.0 0.240 0.240 0.171 0.000 0.000 0.000 3/23328 890.0 0.237 0.237 0.170 0.000 0.000 0.000 3/23328 900.0 0.235 0.235 0.168 0.000 0.000 0.000 3/23328 910.0 0.232 0.232 0.166 0.000 0.000 0.000 3/23328 920.0 0.230 0.230 0.164 0.000 0.000 0.000 3/23328 930.0 0.228 0.228 0.163 0.000 0.000 0.000 3/23328 940.0 0.226 0.226 0.161 0.000 0.000 0.000 3/23328 950.0 0.224 0.224 0.160 0.000 0.000 0.000 3/23328 960.0 0.221 0.221 0.158 0.000 0.000 0.000 3/23328 970.0 0.219 0.219 0.157 0.000 0.000 0.000 3/23328 980.0 0.217 0.217 0.155 0.000 0.000 0.000 3/23328 990.0 0.215 0.215 0.154 0.000 0.000 0.000 3/23328 1000.0 0.213 0.213 0.152 0.000 0.000 0.000 3/23328 Thermal conductivity related properties were written into "kappa-m1972.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:17:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|