----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:40:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/n (85) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.446332640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.446332640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.592655460000000 Atomic positions (fractional): *1 Y 0.35111704334662 0.35893270800063 0.24984572172778 88.906 2 Y 0.35893270800063 0.64888295665338 0.75015427827222 88.906 3 Y 0.64106729199937 0.35111704334662 0.75015427827222 88.906 4 Y 0.64888295665338 0.64106729199937 0.24984572172778 88.906 5 Y 0.85111704334662 0.85893270800063 0.75015427827222 88.906 6 Y 0.85893270800063 0.14888295665338 0.24984572172778 88.906 7 Y 0.14106729199937 0.85111704334662 0.24984572172778 88.906 8 Y 0.14888295665338 0.14106729199937 0.75015427827222 88.906 *9 Re 0.50000000000000 0.00000000000000 0.54730166706805 186.207 *10 Re 0.50000000000000 0.00000000000000 0.14611086073901 186.207 11 Re 0.00000000000000 0.50000000000000 0.45269833293195 186.207 12 Re 0.00000000000000 0.50000000000000 0.85388913926099 186.207 *13 O 0.29583174033984 0.90608427490634 0.60506747546139 15.999 *14 O 0.29653493845124 0.09601016023403 0.09636241841088 15.999 15 O 0.40608427490634 0.20416825966016 0.60506747546139 15.999 16 O 0.40398983976596 0.79653493845124 0.09636241841088 15.999 *17 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 *18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 19 O 0.59601016023403 0.20346506154876 0.09636241841088 15.999 20 O 0.59391572509366 0.79583174033983 0.60506747546139 15.999 21 O 0.70346506154876 0.90398983976597 0.09636241841088 15.999 22 O 0.70416825966017 0.09391572509366 0.60506747546139 15.999 23 O 0.79583174033983 0.40608427490634 0.39493252453861 15.999 24 O 0.79653493845124 0.59601016023403 0.90363758158912 15.999 25 O 0.90608427490634 0.70416825966017 0.39493252453861 15.999 26 O 0.90398983976597 0.29653493845124 0.90363758158912 15.999 27 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 28 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 29 O 0.09601016023403 0.70346506154876 0.90363758158912 15.999 30 O 0.09391572509366 0.29583174033984 0.39493252453861 15.999 31 O 0.20346506154876 0.40398983976596 0.90363758158912 15.999 32 O 0.20416825966016 0.59391572509366 0.39493252453861 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.446332640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.446332640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.592655460000000 Atomic positions (fractional): *1 Y 0.35111704334662 0.35893270800063 0.24984572172778 88.906 > 1 2 Y 0.35893270800063 0.64888295665338 0.75015427827222 88.906 > 2 3 Y 0.64106729199937 0.35111704334662 0.75015427827222 88.906 > 3 4 Y 0.64888295665338 0.64106729199937 0.24984572172778 88.906 > 4 5 Y 0.85111704334662 0.85893270800063 0.75015427827222 88.906 > 5 6 Y 0.85893270800063 0.14888295665338 0.24984572172778 88.906 > 6 7 Y 0.14106729199937 0.85111704334662 0.24984572172778 88.906 > 7 8 Y 0.14888295665338 0.14106729199937 0.75015427827222 88.906 > 8 *9 Re 0.50000000000000 0.00000000000000 0.54730166706805 186.207 > 9 *10 Re 0.50000000000000 0.00000000000000 0.14611086073901 186.207 > 10 11 Re 0.00000000000000 0.50000000000000 0.45269833293195 186.207 > 11 12 Re 0.00000000000000 0.50000000000000 0.85388913926099 186.207 > 12 *13 O 0.29583174033984 0.90608427490634 0.60506747546139 15.999 > 13 *14 O 0.29653493845124 0.09601016023403 0.09636241841088 15.999 > 14 15 O 0.40608427490634 0.20416825966016 0.60506747546139 15.999 > 15 16 O 0.40398983976596 0.79653493845124 0.09636241841088 15.999 > 16 *17 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 17 *18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 19 O 0.59601016023403 0.20346506154876 0.09636241841088 15.999 > 19 20 O 0.59391572509366 0.79583174033983 0.60506747546139 15.999 > 20 21 O 0.70346506154876 0.90398983976597 0.09636241841088 15.999 > 21 22 O 0.70416825966017 0.09391572509366 0.60506747546139 15.999 > 22 23 O 0.79583174033983 0.40608427490634 0.39493252453861 15.999 > 23 24 O 0.79653493845124 0.59601016023403 0.90363758158912 15.999 > 24 25 O 0.90608427490634 0.70416825966017 0.39493252453861 15.999 > 25 26 O 0.90398983976597 0.29653493845124 0.90363758158912 15.999 > 26 27 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 27 28 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 28 29 O 0.09601016023403 0.70346506154876 0.90363758158912 15.999 > 29 30 O 0.09391572509366 0.29583174033984 0.39493252453861 15.999 > 30 31 O 0.20346506154876 0.40398983976596 0.90363758158912 15.999 > 31 32 O 0.20416825966016 0.59391572509366 0.39493252453861 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.446332640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.446332640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.185310919999999 Atomic positions (fractional): *1 Y 0.35111704334662 0.35893270800063 0.12492286086389 88.906 > 1 2 Y 0.35111704334662 0.35893270800063 0.62492286086389 88.906 > 1 3 Y 0.35893270800063 0.64888295665338 0.37507713913611 88.906 > 2 4 Y 0.35893270800063 0.64888295665338 0.87507713913611 88.906 > 2 5 Y 0.64106729199937 0.35111704334662 0.37507713913611 88.906 > 3 6 Y 0.64106729199937 0.35111704334662 0.87507713913611 88.906 > 3 7 Y 0.64888295665338 0.64106729199937 0.12492286086389 88.906 > 4 8 Y 0.64888295665338 0.64106729199937 0.62492286086389 88.906 > 4 9 Y 0.85111704334662 0.85893270800063 0.37507713913611 88.906 > 5 10 Y 0.85111704334662 0.85893270800063 0.87507713913611 88.906 > 5 11 Y 0.85893270800063 0.14888295665338 0.12492286086389 88.906 > 6 12 Y 0.85893270800063 0.14888295665338 0.62492286086389 88.906 > 6 13 Y 0.14106729199937 0.85111704334662 0.12492286086389 88.906 > 7 14 Y 0.14106729199937 0.85111704334662 0.62492286086389 88.906 > 7 15 Y 0.14888295665338 0.14106729199937 0.37507713913611 88.906 > 8 16 Y 0.14888295665338 0.14106729199937 0.87507713913611 88.906 > 8 *17 Re 0.50000000000000 0.00000000000000 0.27365083353402 186.207 > 9 18 Re 0.50000000000000 0.00000000000000 0.77365083353402 186.207 > 9 *19 Re 0.50000000000000 0.00000000000000 0.07305543036950 186.207 > 10 20 Re 0.50000000000000 0.00000000000000 0.57305543036950 186.207 > 10 21 Re 0.00000000000000 0.50000000000000 0.22634916646598 186.207 > 11 22 Re 0.00000000000000 0.50000000000000 0.72634916646598 186.207 > 11 23 Re 0.00000000000000 0.50000000000000 0.42694456963050 186.207 > 12 24 Re 0.00000000000000 0.50000000000000 0.92694456963050 186.207 > 12 *25 O 0.29583174033984 0.90608427490634 0.30253373773070 15.999 > 13 26 O 0.29583174033984 0.90608427490634 0.80253373773070 15.999 > 13 *27 O 0.29653493845124 0.09601016023403 0.04818120920544 15.999 > 14 28 O 0.29653493845124 0.09601016023403 0.54818120920544 15.999 > 14 29 O 0.40608427490634 0.20416825966016 0.30253373773070 15.999 > 15 30 O 0.40608427490634 0.20416825966016 0.80253373773070 15.999 > 15 31 O 0.40398983976596 0.79653493845124 0.04818120920544 15.999 > 16 32 O 0.40398983976596 0.79653493845124 0.54818120920544 15.999 > 16 *33 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 17 34 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 17 *35 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 36 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 18 37 O 0.59601016023403 0.20346506154876 0.04818120920544 15.999 > 19 38 O 0.59601016023403 0.20346506154876 0.54818120920544 15.999 > 19 39 O 0.59391572509366 0.79583174033983 0.30253373773070 15.999 > 20 40 O 0.59391572509366 0.79583174033983 0.80253373773070 15.999 > 20 41 O 0.70346506154876 0.90398983976597 0.04818120920544 15.999 > 21 42 O 0.70346506154876 0.90398983976597 0.54818120920544 15.999 > 21 43 O 0.70416825966017 0.09391572509366 0.30253373773070 15.999 > 22 44 O 0.70416825966017 0.09391572509366 0.80253373773070 15.999 > 22 45 O 0.79583174033983 0.40608427490634 0.19746626226930 15.999 > 23 46 O 0.79583174033983 0.40608427490634 0.69746626226930 15.999 > 23 47 O 0.79653493845124 0.59601016023403 0.45181879079456 15.999 > 24 48 O 0.79653493845124 0.59601016023403 0.95181879079456 15.999 > 24 49 O 0.90608427490634 0.70416825966017 0.19746626226930 15.999 > 25 50 O 0.90608427490634 0.70416825966017 0.69746626226930 15.999 > 25 51 O 0.90398983976597 0.29653493845124 0.45181879079456 15.999 > 26 52 O 0.90398983976597 0.29653493845124 0.95181879079456 15.999 > 26 53 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 27 54 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 27 55 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 28 56 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 28 57 O 0.09601016023403 0.70346506154876 0.45181879079456 15.999 > 29 58 O 0.09601016023403 0.70346506154876 0.95181879079456 15.999 > 29 59 O 0.09391572509366 0.29583174033984 0.19746626226930 15.999 > 30 60 O 0.09391572509366 0.29583174033984 0.69746626226930 15.999 > 30 61 O 0.20346506154876 0.40398983976596 0.45181879079456 15.999 > 31 62 O 0.20346506154876 0.40398983976596 0.95181879079456 15.999 > 31 63 O 0.20416825966016 0.59391572509366 0.19746626226930 15.999 > 32 64 O 0.20416825966016 0.59391572509366 0.69746626226930 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7401228 -0.0000446 0.0000000 0.0000446 5.7401228 0.0000000 0.0000000 0.0000000 6.1343311 -------------------------- Born effective charges -------------------------- 1 Y 4.3460025 -0.2875519 0.1634795 -0.3400515 4.1568414 -0.1247639 -0.7097675 0.5038273 4.0544489 2 Y 4.1568414 0.3400515 0.1247639 0.2875519 4.3460025 0.1634795 -0.5038273 -0.7097675 4.0544489 3 Y 4.1568414 0.3400515 -0.1247639 0.2875519 4.3460025 -0.1634795 0.5038273 0.7097675 4.0544489 4 Y 4.3460025 -0.2875519 -0.1634795 -0.3400515 4.1568414 0.1247639 0.7097675 -0.5038273 4.0544489 5 Y 4.3460025 -0.2875519 -0.1634795 -0.3400515 4.1568414 0.1247639 0.7097675 -0.5038273 4.0544489 6 Y 4.1568414 0.3400515 -0.1247639 0.2875519 4.3460025 -0.1634795 0.5038273 0.7097675 4.0544489 7 Y 4.1568414 0.3400515 0.1247639 0.2875519 4.3460025 0.1634795 -0.5038273 -0.7097675 4.0544489 8 Y 4.3460025 -0.2875519 0.1634795 -0.3400515 4.1568414 -0.1247639 -0.7097675 0.5038273 4.0544489 9 Re 5.1744216 -0.0427057 0.0000000 0.0427057 5.1744216 0.0000000 0.0000000 0.0000000 1.6774453 10 Re 5.5429410 0.1440129 0.0000000 -0.1440129 5.5429410 0.0000000 0.0000000 0.0000000 -1.3068437 11 Re 5.1744216 -0.0427057 0.0000000 0.0427057 5.1744216 0.0000000 0.0000000 0.0000000 1.6774453 12 Re 5.5429410 0.1440129 0.0000000 -0.1440129 5.5429410 0.0000000 0.0000000 0.0000000 -1.3068437 13 O -3.1047245 -0.5563205 0.2594449 -0.5146290 -2.4420506 0.1766338 1.2128898 0.7951895 -1.3843844 14 O -3.2251044 0.6028176 -0.7077523 0.6084905 -2.3358851 0.2405038 -0.4156904 0.0944417 -1.4274875 15 O -2.4420506 0.5146290 0.1766338 0.5563205 -3.1047245 -0.2594449 0.7951895 -1.2128898 -1.3843844 16 O -2.3358851 -0.6084905 -0.2405038 -0.6028176 -3.2251044 -0.7077523 -0.0944417 -0.4156904 -1.4274875 17 O -2.7056177 0.1092095 0.0000000 -0.1092095 -2.7056177 0.0000000 0.0000000 0.0000000 -2.4790531 18 O -2.8019038 -0.2207873 0.0000000 0.2207873 -2.8019038 0.0000000 0.0000000 0.0000000 -2.8618563 19 O -2.3358851 -0.6084905 0.2405038 -0.6028176 -3.2251044 0.7077523 0.0944417 0.4156904 -1.4274875 20 O -2.4420506 0.5146290 -0.1766338 0.5563205 -3.1047245 0.2594449 -0.7951895 1.2128898 -1.3843844 21 O -3.2251044 0.6028176 0.7077523 0.6084905 -2.3358851 -0.2405038 0.4156904 -0.0944417 -1.4274875 22 O -3.1047245 -0.5563205 -0.2594449 -0.5146290 -2.4420506 -0.1766338 -1.2128898 -0.7951895 -1.3843844 23 O -3.1047245 -0.5563205 -0.2594449 -0.5146290 -2.4420506 -0.1766338 -1.2128898 -0.7951895 -1.3843844 24 O -3.2251044 0.6028176 0.7077523 0.6084905 -2.3358851 -0.2405038 0.4156904 -0.0944417 -1.4274875 25 O -2.4420506 0.5146290 -0.1766338 0.5563205 -3.1047245 0.2594449 -0.7951895 1.2128898 -1.3843844 26 O -2.3358851 -0.6084905 0.2405038 -0.6028176 -3.2251044 0.7077523 0.0944417 0.4156904 -1.4274875 27 O -2.7056177 0.1092095 0.0000000 -0.1092095 -2.7056177 0.0000000 0.0000000 0.0000000 -2.4790531 28 O -2.8019038 -0.2207873 0.0000000 0.2207873 -2.8019038 0.0000000 0.0000000 0.0000000 -2.8618563 29 O -2.3358851 -0.6084905 -0.2405038 -0.6028176 -3.2251044 -0.7077523 -0.0944417 -0.4156904 -1.4274875 30 O -2.4420506 0.5146290 0.1766338 0.5563205 -3.1047245 -0.2594449 0.7951895 -1.2128898 -1.3843844 31 O -3.2251044 0.6028176 -0.7077523 0.6084905 -2.3358851 0.2405038 -0.4156904 0.0944417 -1.4274875 32 O -3.1047245 -0.5563205 0.2594449 -0.5146290 -2.4420506 0.1766338 1.2128898 0.7951895 -1.3843844 ---------------------------------------------------------------------------- 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: 192/192 Permutation basis: 9312/9312 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1210 Number of blocks in projector: 1210 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: 480 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1210, 1172), data: False |-- (162, 155), data: True |-- (264, 255), data: True |-- (304, 294), data: True |-- (480, 468), data: True ----- Solver_atoms: 1 -- 64 / 64 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 480 - Time: 0.823 Solver_block: 200 / 480 - Time: 0.828 Solver_block: 300 / 480 - Time: 0.827 Solver_block: 400 / 480 - Time: 0.827 Solver_block: 480 / 480 - Time: 0.694 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.023 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 192/192 Permutation basis: 9312/9312 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1210 Number of blocks in projector: 1210 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: 480 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1210, 1172), data: False |-- (162, 155), data: True |-- (264, 255), data: True |-- (304, 294), data: True |-- (480, 468), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:40:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:40:35]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/n (85) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.446332640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.446332640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.592655460000000 Atomic positions (fractional): 1 Y 0.35111704334662 0.35893270800063 0.24984572172778 88.906 2 Y 0.35893270800063 0.64888295665338 0.75015427827222 88.906 3 Y 0.64106729199937 0.35111704334662 0.75015427827222 88.906 4 Y 0.64888295665338 0.64106729199937 0.24984572172778 88.906 5 Y 0.85111704334662 0.85893270800063 0.75015427827222 88.906 6 Y 0.85893270800063 0.14888295665338 0.24984572172778 88.906 7 Y 0.14106729199937 0.85111704334662 0.24984572172778 88.906 8 Y 0.14888295665338 0.14106729199937 0.75015427827222 88.906 9 Re 0.50000000000000 0.00000000000000 0.54730166706805 186.207 10 Re 0.50000000000000 0.00000000000000 0.14611086073901 186.207 11 Re 0.00000000000000 0.50000000000000 0.45269833293195 186.207 12 Re 0.00000000000000 0.50000000000000 0.85388913926099 186.207 13 O 0.29583174033984 0.90608427490634 0.60506747546139 15.999 14 O 0.29653493845124 0.09601016023403 0.09636241841088 15.999 15 O 0.40608427490634 0.20416825966016 0.60506747546139 15.999 16 O 0.40398983976596 0.79653493845124 0.09636241841088 15.999 17 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 19 O 0.59601016023403 0.20346506154876 0.09636241841088 15.999 20 O 0.59391572509366 0.79583174033983 0.60506747546139 15.999 21 O 0.70346506154876 0.90398983976597 0.09636241841088 15.999 22 O 0.70416825966017 0.09391572509366 0.60506747546139 15.999 23 O 0.79583174033983 0.40608427490634 0.39493252453861 15.999 24 O 0.79653493845124 0.59601016023403 0.90363758158912 15.999 25 O 0.90608427490634 0.70416825966017 0.39493252453861 15.999 26 O 0.90398983976597 0.29653493845124 0.90363758158912 15.999 27 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 28 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 29 O 0.09601016023403 0.70346506154876 0.90363758158912 15.999 30 O 0.09391572509366 0.29583174033984 0.39493252453861 15.999 31 O 0.20346506154876 0.40398983976596 0.90363758158912 15.999 32 O 0.20416825966016 0.59391572509366 0.39493252453861 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.446332640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.446332640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.185310919999999 Atomic positions (fractional): 1 Y 0.35111704334662 0.35893270800063 0.12492286086389 88.906 > 1 2 Y 0.35111704334662 0.35893270800063 0.62492286086389 88.906 > 1 3 Y 0.35893270800063 0.64888295665338 0.37507713913611 88.906 > 3 4 Y 0.35893270800063 0.64888295665338 0.87507713913611 88.906 > 3 5 Y 0.64106729199937 0.35111704334662 0.37507713913611 88.906 > 5 6 Y 0.64106729199937 0.35111704334662 0.87507713913611 88.906 > 5 7 Y 0.64888295665338 0.64106729199937 0.12492286086389 88.906 > 7 8 Y 0.64888295665338 0.64106729199937 0.62492286086389 88.906 > 7 9 Y 0.85111704334662 0.85893270800063 0.37507713913611 88.906 > 9 10 Y 0.85111704334662 0.85893270800063 0.87507713913611 88.906 > 9 11 Y 0.85893270800063 0.14888295665338 0.12492286086389 88.906 > 11 12 Y 0.85893270800063 0.14888295665338 0.62492286086389 88.906 > 11 13 Y 0.14106729199937 0.85111704334662 0.12492286086389 88.906 > 13 14 Y 0.14106729199937 0.85111704334662 0.62492286086389 88.906 > 13 15 Y 0.14888295665338 0.14106729199937 0.37507713913611 88.906 > 15 16 Y 0.14888295665338 0.14106729199937 0.87507713913611 88.906 > 15 17 Re 0.50000000000000 0.00000000000000 0.27365083353402 186.207 > 17 18 Re 0.50000000000000 0.00000000000000 0.77365083353402 186.207 > 17 19 Re 0.50000000000000 0.00000000000000 0.07305543036950 186.207 > 19 20 Re 0.50000000000000 0.00000000000000 0.57305543036950 186.207 > 19 21 Re 0.00000000000000 0.50000000000000 0.22634916646598 186.207 > 21 22 Re 0.00000000000000 0.50000000000000 0.72634916646598 186.207 > 21 23 Re 0.00000000000000 0.50000000000000 0.42694456963050 186.207 > 23 24 Re 0.00000000000000 0.50000000000000 0.92694456963050 186.207 > 23 25 O 0.29583174033984 0.90608427490634 0.30253373773070 15.999 > 25 26 O 0.29583174033984 0.90608427490634 0.80253373773070 15.999 > 25 27 O 0.29653493845124 0.09601016023403 0.04818120920544 15.999 > 27 28 O 0.29653493845124 0.09601016023403 0.54818120920544 15.999 > 27 29 O 0.40608427490634 0.20416825966016 0.30253373773070 15.999 > 29 30 O 0.40608427490634 0.20416825966016 0.80253373773070 15.999 > 29 31 O 0.40398983976596 0.79653493845124 0.04818120920544 15.999 > 31 32 O 0.40398983976596 0.79653493845124 0.54818120920544 15.999 > 31 33 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 33 34 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 33 35 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 35 36 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 35 37 O 0.59601016023403 0.20346506154876 0.04818120920544 15.999 > 37 38 O 0.59601016023403 0.20346506154876 0.54818120920544 15.999 > 37 39 O 0.59391572509366 0.79583174033983 0.30253373773070 15.999 > 39 40 O 0.59391572509366 0.79583174033983 0.80253373773070 15.999 > 39 41 O 0.70346506154876 0.90398983976597 0.04818120920544 15.999 > 41 42 O 0.70346506154876 0.90398983976597 0.54818120920544 15.999 > 41 43 O 0.70416825966017 0.09391572509366 0.30253373773070 15.999 > 43 44 O 0.70416825966017 0.09391572509366 0.80253373773070 15.999 > 43 45 O 0.79583174033983 0.40608427490634 0.19746626226930 15.999 > 45 46 O 0.79583174033983 0.40608427490634 0.69746626226930 15.999 > 45 47 O 0.79653493845124 0.59601016023403 0.45181879079456 15.999 > 47 48 O 0.79653493845124 0.59601016023403 0.95181879079456 15.999 > 47 49 O 0.90608427490634 0.70416825966017 0.19746626226930 15.999 > 49 50 O 0.90608427490634 0.70416825966017 0.69746626226930 15.999 > 49 51 O 0.90398983976597 0.29653493845124 0.45181879079456 15.999 > 51 52 O 0.90398983976597 0.29653493845124 0.95181879079456 15.999 > 51 53 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 53 54 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 53 55 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 55 56 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 55 57 O 0.09601016023403 0.70346506154876 0.45181879079456 15.999 > 57 58 O 0.09601016023403 0.70346506154876 0.95181879079456 15.999 > 57 59 O 0.09391572509366 0.29583174033984 0.19746626226930 15.999 > 59 60 O 0.09391572509366 0.29583174033984 0.69746626226930 15.999 > 59 61 O 0.20346506154876 0.40398983976596 0.45181879079456 15.999 > 61 62 O 0.20346506154876 0.40398983976596 0.95181879079456 15.999 > 61 63 O 0.20416825966016 0.59391572509366 0.19746626226930 15.999 > 63 64 O 0.20416825966016 0.59391572509366 0.69746626226930 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7401228 -0.0000446 0.0000000 0.0000446 5.7401228 0.0000000 0.0000000 0.0000000 6.1343311 -------------------------- Born effective charges -------------------------- 1 Y 4.3460025 -0.2875519 0.1634795 -0.3400515 4.1568414 -0.1247639 -0.7097675 0.5038273 4.0544489 2 Y 4.1568414 0.3400515 0.1247639 0.2875519 4.3460025 0.1634795 -0.5038273 -0.7097675 4.0544489 3 Y 4.1568414 0.3400515 -0.1247639 0.2875519 4.3460025 -0.1634795 0.5038273 0.7097675 4.0544489 4 Y 4.3460025 -0.2875519 -0.1634795 -0.3400515 4.1568414 0.1247639 0.7097675 -0.5038273 4.0544489 5 Y 4.3460025 -0.2875519 -0.1634795 -0.3400515 4.1568414 0.1247639 0.7097675 -0.5038273 4.0544489 6 Y 4.1568414 0.3400515 -0.1247639 0.2875519 4.3460025 -0.1634795 0.5038273 0.7097675 4.0544489 7 Y 4.1568414 0.3400515 0.1247639 0.2875519 4.3460025 0.1634795 -0.5038273 -0.7097675 4.0544489 8 Y 4.3460025 -0.2875519 0.1634795 -0.3400515 4.1568414 -0.1247639 -0.7097675 0.5038273 4.0544489 9 Re 5.1744216 -0.0427057 0.0000000 0.0427057 5.1744216 0.0000000 0.0000000 0.0000000 1.6774453 10 Re 5.5429410 0.1440129 0.0000000 -0.1440129 5.5429410 0.0000000 0.0000000 0.0000000 -1.3068437 11 Re 5.1744216 -0.0427057 0.0000000 0.0427057 5.1744216 0.0000000 0.0000000 0.0000000 1.6774453 12 Re 5.5429410 0.1440129 0.0000000 -0.1440129 5.5429410 0.0000000 0.0000000 0.0000000 -1.3068437 13 O -3.1047245 -0.5563205 0.2594449 -0.5146290 -2.4420506 0.1766338 1.2128898 0.7951895 -1.3843844 14 O -3.2251044 0.6028176 -0.7077523 0.6084905 -2.3358851 0.2405038 -0.4156904 0.0944417 -1.4274875 15 O -2.4420506 0.5146290 0.1766338 0.5563205 -3.1047245 -0.2594449 0.7951895 -1.2128898 -1.3843844 16 O -2.3358851 -0.6084905 -0.2405038 -0.6028176 -3.2251044 -0.7077523 -0.0944417 -0.4156904 -1.4274875 17 O -2.7056177 0.1092095 0.0000000 -0.1092095 -2.7056177 0.0000000 0.0000000 0.0000000 -2.4790531 18 O -2.8019038 -0.2207873 0.0000000 0.2207873 -2.8019038 0.0000000 0.0000000 0.0000000 -2.8618563 19 O -2.3358851 -0.6084905 0.2405038 -0.6028176 -3.2251044 0.7077523 0.0944417 0.4156904 -1.4274875 20 O -2.4420506 0.5146290 -0.1766338 0.5563205 -3.1047245 0.2594449 -0.7951895 1.2128898 -1.3843844 21 O -3.2251044 0.6028176 0.7077523 0.6084905 -2.3358851 -0.2405038 0.4156904 -0.0944417 -1.4274875 22 O -3.1047245 -0.5563205 -0.2594449 -0.5146290 -2.4420506 -0.1766338 -1.2128898 -0.7951895 -1.3843844 23 O -3.1047245 -0.5563205 -0.2594449 -0.5146290 -2.4420506 -0.1766338 -1.2128898 -0.7951895 -1.3843844 24 O -3.2251044 0.6028176 0.7077523 0.6084905 -2.3358851 -0.2405038 0.4156904 -0.0944417 -1.4274875 25 O -2.4420506 0.5146290 -0.1766338 0.5563205 -3.1047245 0.2594449 -0.7951895 1.2128898 -1.3843844 26 O -2.3358851 -0.6084905 0.2405038 -0.6028176 -3.2251044 0.7077523 0.0944417 0.4156904 -1.4274875 27 O -2.7056177 0.1092095 0.0000000 -0.1092095 -2.7056177 0.0000000 0.0000000 0.0000000 -2.4790531 28 O -2.8019038 -0.2207873 0.0000000 0.2207873 -2.8019038 0.0000000 0.0000000 0.0000000 -2.8618563 29 O -2.3358851 -0.6084905 -0.2405038 -0.6028176 -3.2251044 -0.7077523 -0.0944417 -0.4156904 -1.4274875 30 O -2.4420506 0.5146290 0.1766338 0.5563205 -3.1047245 -0.2594449 0.7951895 -1.2128898 -1.3843844 31 O -3.2251044 0.6028176 -0.7077523 0.6084905 -2.3358851 0.2405038 -0.4156904 0.0944417 -1.4274875 32 O -3.1047245 -0.5563205 0.2594449 -0.5146290 -2.4420506 0.1766338 1.2128898 0.7951895 -1.3843844 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, 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: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xy) 0.00000002 (xy) 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 2026-01-09 03:40:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:40:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/n (85) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.446332640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.446332640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.592655460000000 Atomic positions (fractional): 1 Y 0.35111704334662 0.35893270800063 0.24984572172778 88.906 2 Y 0.35893270800063 0.64888295665338 0.75015427827222 88.906 3 Y 0.64106729199937 0.35111704334662 0.75015427827222 88.906 4 Y 0.64888295665338 0.64106729199937 0.24984572172778 88.906 5 Y 0.85111704334662 0.85893270800063 0.75015427827222 88.906 6 Y 0.85893270800063 0.14888295665338 0.24984572172778 88.906 7 Y 0.14106729199937 0.85111704334662 0.24984572172778 88.906 8 Y 0.14888295665338 0.14106729199937 0.75015427827222 88.906 9 Re 0.50000000000000 0.00000000000000 0.54730166706805 186.207 10 Re 0.50000000000000 0.00000000000000 0.14611086073901 186.207 11 Re 0.00000000000000 0.50000000000000 0.45269833293195 186.207 12 Re 0.00000000000000 0.50000000000000 0.85388913926099 186.207 13 O 0.29583174033984 0.90608427490634 0.60506747546139 15.999 14 O 0.29653493845124 0.09601016023403 0.09636241841088 15.999 15 O 0.40608427490634 0.20416825966016 0.60506747546139 15.999 16 O 0.40398983976596 0.79653493845124 0.09636241841088 15.999 17 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 19 O 0.59601016023403 0.20346506154876 0.09636241841088 15.999 20 O 0.59391572509366 0.79583174033983 0.60506747546139 15.999 21 O 0.70346506154876 0.90398983976597 0.09636241841088 15.999 22 O 0.70416825966017 0.09391572509366 0.60506747546139 15.999 23 O 0.79583174033983 0.40608427490634 0.39493252453861 15.999 24 O 0.79653493845124 0.59601016023403 0.90363758158912 15.999 25 O 0.90608427490634 0.70416825966017 0.39493252453861 15.999 26 O 0.90398983976597 0.29653493845124 0.90363758158912 15.999 27 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 28 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 29 O 0.09601016023403 0.70346506154876 0.90363758158912 15.999 30 O 0.09391572509366 0.29583174033984 0.39493252453861 15.999 31 O 0.20346506154876 0.40398983976596 0.90363758158912 15.999 32 O 0.20416825966016 0.59391572509366 0.39493252453861 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.446332640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.446332640000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.185310919999999 Atomic positions (fractional): 1 Y 0.35111704334662 0.35893270800063 0.12492286086389 88.906 > 1 2 Y 0.35111704334662 0.35893270800063 0.62492286086389 88.906 > 1 3 Y 0.35893270800063 0.64888295665338 0.37507713913611 88.906 > 3 4 Y 0.35893270800063 0.64888295665338 0.87507713913611 88.906 > 3 5 Y 0.64106729199937 0.35111704334662 0.37507713913611 88.906 > 5 6 Y 0.64106729199937 0.35111704334662 0.87507713913611 88.906 > 5 7 Y 0.64888295665338 0.64106729199937 0.12492286086389 88.906 > 7 8 Y 0.64888295665338 0.64106729199937 0.62492286086389 88.906 > 7 9 Y 0.85111704334662 0.85893270800063 0.37507713913611 88.906 > 9 10 Y 0.85111704334662 0.85893270800063 0.87507713913611 88.906 > 9 11 Y 0.85893270800063 0.14888295665338 0.12492286086389 88.906 > 11 12 Y 0.85893270800063 0.14888295665338 0.62492286086389 88.906 > 11 13 Y 0.14106729199937 0.85111704334662 0.12492286086389 88.906 > 13 14 Y 0.14106729199937 0.85111704334662 0.62492286086389 88.906 > 13 15 Y 0.14888295665338 0.14106729199937 0.37507713913611 88.906 > 15 16 Y 0.14888295665338 0.14106729199937 0.87507713913611 88.906 > 15 17 Re 0.50000000000000 0.00000000000000 0.27365083353402 186.207 > 17 18 Re 0.50000000000000 0.00000000000000 0.77365083353402 186.207 > 17 19 Re 0.50000000000000 0.00000000000000 0.07305543036950 186.207 > 19 20 Re 0.50000000000000 0.00000000000000 0.57305543036950 186.207 > 19 21 Re 0.00000000000000 0.50000000000000 0.22634916646598 186.207 > 21 22 Re 0.00000000000000 0.50000000000000 0.72634916646598 186.207 > 21 23 Re 0.00000000000000 0.50000000000000 0.42694456963050 186.207 > 23 24 Re 0.00000000000000 0.50000000000000 0.92694456963050 186.207 > 23 25 O 0.29583174033984 0.90608427490634 0.30253373773070 15.999 > 25 26 O 0.29583174033984 0.90608427490634 0.80253373773070 15.999 > 25 27 O 0.29653493845124 0.09601016023403 0.04818120920544 15.999 > 27 28 O 0.29653493845124 0.09601016023403 0.54818120920544 15.999 > 27 29 O 0.40608427490634 0.20416825966016 0.30253373773070 15.999 > 29 30 O 0.40608427490634 0.20416825966016 0.80253373773070 15.999 > 29 31 O 0.40398983976596 0.79653493845124 0.04818120920544 15.999 > 31 32 O 0.40398983976596 0.79653493845124 0.54818120920544 15.999 > 31 33 O 0.50000000000000 0.50000000000000 0.25000000000000 15.999 > 33 34 O 0.50000000000000 0.50000000000000 0.75000000000000 15.999 > 33 35 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 35 36 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 35 37 O 0.59601016023403 0.20346506154876 0.04818120920544 15.999 > 37 38 O 0.59601016023403 0.20346506154876 0.54818120920544 15.999 > 37 39 O 0.59391572509366 0.79583174033983 0.30253373773070 15.999 > 39 40 O 0.59391572509366 0.79583174033983 0.80253373773070 15.999 > 39 41 O 0.70346506154876 0.90398983976597 0.04818120920544 15.999 > 41 42 O 0.70346506154876 0.90398983976597 0.54818120920544 15.999 > 41 43 O 0.70416825966017 0.09391572509366 0.30253373773070 15.999 > 43 44 O 0.70416825966017 0.09391572509366 0.80253373773070 15.999 > 43 45 O 0.79583174033983 0.40608427490634 0.19746626226930 15.999 > 45 46 O 0.79583174033983 0.40608427490634 0.69746626226930 15.999 > 45 47 O 0.79653493845124 0.59601016023403 0.45181879079456 15.999 > 47 48 O 0.79653493845124 0.59601016023403 0.95181879079456 15.999 > 47 49 O 0.90608427490634 0.70416825966017 0.19746626226930 15.999 > 49 50 O 0.90608427490634 0.70416825966017 0.69746626226930 15.999 > 49 51 O 0.90398983976597 0.29653493845124 0.45181879079456 15.999 > 51 52 O 0.90398983976597 0.29653493845124 0.95181879079456 15.999 > 51 53 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 53 54 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 53 55 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 55 56 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 55 57 O 0.09601016023403 0.70346506154876 0.45181879079456 15.999 > 57 58 O 0.09601016023403 0.70346506154876 0.95181879079456 15.999 > 57 59 O 0.09391572509366 0.29583174033984 0.19746626226930 15.999 > 59 60 O 0.09391572509366 0.29583174033984 0.69746626226930 15.999 > 59 61 O 0.20346506154876 0.40398983976596 0.45181879079456 15.999 > 61 62 O 0.20346506154876 0.40398983976596 0.95181879079456 15.999 > 61 63 O 0.20416825966016 0.59391572509366 0.19746626226930 15.999 > 63 64 O 0.20416825966016 0.59391572509366 0.69746626226930 15.999 > 63 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7401228 -0.0000446 0.0000000 0.0000446 5.7401228 0.0000000 0.0000000 0.0000000 6.1343311 -------------------------- Born effective charges -------------------------- 1 Y 4.3460025 -0.2875519 0.1634795 -0.3400515 4.1568414 -0.1247639 -0.7097675 0.5038273 4.0544489 2 Y 4.1568414 0.3400515 0.1247639 0.2875519 4.3460025 0.1634795 -0.5038273 -0.7097675 4.0544489 3 Y 4.1568414 0.3400515 -0.1247639 0.2875519 4.3460025 -0.1634795 0.5038273 0.7097675 4.0544489 4 Y 4.3460025 -0.2875519 -0.1634795 -0.3400515 4.1568414 0.1247639 0.7097675 -0.5038273 4.0544489 5 Y 4.3460025 -0.2875519 -0.1634795 -0.3400515 4.1568414 0.1247639 0.7097675 -0.5038273 4.0544489 6 Y 4.1568414 0.3400515 -0.1247639 0.2875519 4.3460025 -0.1634795 0.5038273 0.7097675 4.0544489 7 Y 4.1568414 0.3400515 0.1247639 0.2875519 4.3460025 0.1634795 -0.5038273 -0.7097675 4.0544489 8 Y 4.3460025 -0.2875519 0.1634795 -0.3400515 4.1568414 -0.1247639 -0.7097675 0.5038273 4.0544489 9 Re 5.1744216 -0.0427057 0.0000000 0.0427057 5.1744216 0.0000000 0.0000000 0.0000000 1.6774453 10 Re 5.5429410 0.1440129 0.0000000 -0.1440129 5.5429410 0.0000000 0.0000000 0.0000000 -1.3068437 11 Re 5.1744216 -0.0427057 0.0000000 0.0427057 5.1744216 0.0000000 0.0000000 0.0000000 1.6774453 12 Re 5.5429410 0.1440129 0.0000000 -0.1440129 5.5429410 0.0000000 0.0000000 0.0000000 -1.3068437 13 O -3.1047245 -0.5563205 0.2594449 -0.5146290 -2.4420506 0.1766338 1.2128898 0.7951895 -1.3843844 14 O -3.2251044 0.6028176 -0.7077523 0.6084905 -2.3358851 0.2405038 -0.4156904 0.0944417 -1.4274875 15 O -2.4420506 0.5146290 0.1766338 0.5563205 -3.1047245 -0.2594449 0.7951895 -1.2128898 -1.3843844 16 O -2.3358851 -0.6084905 -0.2405038 -0.6028176 -3.2251044 -0.7077523 -0.0944417 -0.4156904 -1.4274875 17 O -2.7056177 0.1092095 0.0000000 -0.1092095 -2.7056177 0.0000000 0.0000000 0.0000000 -2.4790531 18 O -2.8019038 -0.2207873 0.0000000 0.2207873 -2.8019038 0.0000000 0.0000000 0.0000000 -2.8618563 19 O -2.3358851 -0.6084905 0.2405038 -0.6028176 -3.2251044 0.7077523 0.0944417 0.4156904 -1.4274875 20 O -2.4420506 0.5146290 -0.1766338 0.5563205 -3.1047245 0.2594449 -0.7951895 1.2128898 -1.3843844 21 O -3.2251044 0.6028176 0.7077523 0.6084905 -2.3358851 -0.2405038 0.4156904 -0.0944417 -1.4274875 22 O -3.1047245 -0.5563205 -0.2594449 -0.5146290 -2.4420506 -0.1766338 -1.2128898 -0.7951895 -1.3843844 23 O -3.1047245 -0.5563205 -0.2594449 -0.5146290 -2.4420506 -0.1766338 -1.2128898 -0.7951895 -1.3843844 24 O -3.2251044 0.6028176 0.7077523 0.6084905 -2.3358851 -0.2405038 0.4156904 -0.0944417 -1.4274875 25 O -2.4420506 0.5146290 -0.1766338 0.5563205 -3.1047245 0.2594449 -0.7951895 1.2128898 -1.3843844 26 O -2.3358851 -0.6084905 0.2405038 -0.6028176 -3.2251044 0.7077523 0.0944417 0.4156904 -1.4274875 27 O -2.7056177 0.1092095 0.0000000 -0.1092095 -2.7056177 0.0000000 0.0000000 0.0000000 -2.4790531 28 O -2.8019038 -0.2207873 0.0000000 0.2207873 -2.8019038 0.0000000 0.0000000 0.0000000 -2.8618563 29 O -2.3358851 -0.6084905 -0.2405038 -0.6028176 -3.2251044 -0.7077523 -0.0944417 -0.4156904 -1.4274875 30 O -2.4420506 0.5146290 0.1766338 0.5563205 -3.1047245 -0.2594449 0.7951895 -1.2128898 -1.3843844 31 O -3.2251044 0.6028176 -0.7077523 0.6084905 -2.3358851 0.2405038 -0.4156904 0.0944417 -1.4274875 32 O -3.1047245 -0.5563205 0.2594449 -0.5146290 -2.4420506 0.1766338 1.2128898 0.7951895 -1.3843844 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yzy) 0.00000003 (yzy) 0.00000003 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 315, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/55) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 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 1.955 ( -0.000 -0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 2.763 ( -0.000 0.000 0.000) 0.000 2.909 ( -0.000 0.000 0.000) 0.000 2.909 ( -0.000 0.000 -0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 -0.000) 0.000 3.474 ( -0.000 0.000 -0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.743 ( -0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 -0.000) 0.000 4.296 ( -0.000 0.000 0.000) 0.000 4.296 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 -0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.940 ( -0.000 0.000 -0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 -0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.403 ( 0.000 0.000 0.000) 0.000 5.403 ( -0.000 0.000 0.000) 0.000 5.960 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 -0.000) 0.000 6.662 ( -0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.997 ( 0.000 0.000 -0.000) 0.000 7.512 ( 0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 -0.000) 0.000 7.730 ( -0.000 0.000 -0.000) 0.000 7.955 ( 0.000 0.000 -0.000) 0.000 8.024 ( -0.000 0.000 -0.000) 0.000 8.031 ( 0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 -0.000) 0.000 8.360 ( -0.000 0.000 0.000) 0.000 8.413 ( -0.000 0.000 0.000) 0.000 8.425 ( 0.000 0.000 -0.000) 0.000 8.425 ( 0.000 0.000 -0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.491 ( -0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 -0.000) 0.000 8.688 ( 0.000 0.000 -0.000) 0.000 8.688 ( 0.000 0.000 -0.000) 0.000 8.820 ( 0.000 0.000 0.000) 0.000 8.843 ( 0.000 -0.000 0.000) 0.000 8.953 ( 0.000 0.000 -0.000) 0.000 9.355 ( 0.000 -0.000 -0.000) 0.000 9.514 ( 0.000 0.000 -0.000) 0.000 9.653 ( -0.000 0.000 0.000) 0.000 9.653 ( -0.000 0.000 -0.000) 0.000 9.981 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 -0.000) 0.000 10.089 ( -0.000 0.000 0.000) 0.000 10.229 ( 0.000 0.000 0.000) 0.000 10.229 ( -0.000 0.000 -0.000) 0.000 11.305 ( 0.000 0.000 0.000) 0.000 11.481 ( -0.000 0.000 0.000) 0.000 11.529 ( -0.000 0.000 0.000) 0.000 11.928 ( 0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 12.398 ( -0.000 0.000 -0.000) 0.000 13.015 ( 0.000 0.000 0.000) 0.000 13.040 ( 0.000 0.000 -0.000) 0.000 13.040 ( -0.000 0.000 0.000) 0.000 13.405 ( -0.000 0.000 0.000) 0.000 13.803 ( 0.000 0.000 0.000) 0.000 13.886 ( 0.000 0.000 0.000) 0.000 13.886 ( 0.000 0.000 0.000) 0.000 14.180 ( 0.000 0.000 0.000) 0.000 14.180 ( 0.000 0.000 -0.000) 0.000 14.733 ( 0.000 0.000 0.000) 0.000 16.715 ( 0.000 -0.000 0.000) 0.000 16.983 ( 0.000 0.000 -0.000) 0.000 17.621 ( -0.000 0.000 0.000) 0.000 17.765 ( 0.000 0.000 -0.000) 0.000 17.765 ( 0.000 -0.000 -0.000) 0.000 17.895 ( 0.000 0.000 -0.000) 0.000 18.135 ( 0.000 0.000 0.000) 0.000 18.135 ( 0.000 0.000 0.000) 0.000 19.192 ( 0.000 0.000 0.000) 0.000 19.192 ( 0.000 0.000 0.000) 0.000 19.372 ( 0.000 0.000 -0.000) 0.000 19.862 ( -0.000 0.000 -0.000) 0.000 20.459 ( 0.000 0.000 -0.000) 0.000 20.807 ( 0.000 0.000 0.000) 0.000 21.297 ( -0.000 0.000 0.000) 0.000 21.297 ( 0.000 0.000 -0.000) 0.000 22.918 ( 0.000 0.000 -0.000) 0.000 23.260 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/55) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 22.163 -5.656 0.000) 22.873 0.532 ( 27.082 0.974 0.000) 27.100 1.037 ( 49.296 1.483 0.000) 49.319 1.915 ( -4.277 -3.715 0.000) 5.665 2.035 ( 7.208 4.173 0.000) 8.328 2.633 ( -13.271 -0.120 0.000) 13.272 2.911 ( 0.322 -1.594 0.000) 1.626 2.963 ( 0.389 -1.265 0.000) 1.324 3.170 ( -0.391 3.356 0.000) 3.378 3.228 ( -13.421 5.809 0.000) 14.624 3.374 ( -7.843 -0.471 0.000) 7.857 3.431 ( -4.523 -9.295 0.000) 10.337 3.653 ( -4.349 0.623 0.000) 4.393 3.786 ( -5.193 -5.952 0.000) 7.899 3.920 ( 6.000 8.761 0.000) 10.619 3.978 ( 11.045 0.385 0.000) 11.052 4.185 ( -12.880 -3.128 0.000) 13.254 4.309 ( 2.511 10.653 0.000) 10.945 4.364 ( 6.244 -12.063 0.000) 13.583 4.482 ( -1.252 -0.186 0.000) 1.266 4.486 ( 7.515 1.266 0.000) 7.621 4.869 ( 0.776 -2.650 0.000) 2.761 4.945 ( -4.667 -3.917 0.000) 6.093 5.024 ( 7.339 3.581 0.000) 8.166 5.113 ( -3.327 0.992 0.000) 3.472 5.333 ( 1.976 6.569 0.000) 6.860 5.398 ( -0.552 4.602 0.000) 4.635 5.423 ( 6.940 -6.188 0.000) 9.298 5.920 ( -3.822 -3.098 0.000) 4.920 6.233 ( 1.066 0.466 0.000) 1.163 6.258 ( 0.063 1.396 0.000) 1.397 6.619 ( -7.425 0.198 0.000) 7.427 6.690 ( 3.199 -0.049 0.000) 3.199 7.058 ( 5.830 -0.044 0.000) 5.830 7.350 ( -13.452 -0.277 0.000) 13.455 7.677 ( -16.457 0.506 0.000) 16.465 7.688 ( -5.286 -1.885 0.000) 5.612 7.828 ( -3.884 1.169 0.000) 4.056 7.919 ( -5.303 0.700 0.000) 5.349 8.020 ( -1.038 -2.254 0.000) 2.481 8.163 ( 4.482 0.402 0.000) 4.500 8.262 ( -4.235 0.386 0.000) 4.253 8.380 ( -3.430 0.260 0.000) 3.440 8.393 ( -0.969 -0.086 0.000) 0.972 8.515 ( 5.180 1.719 0.000) 5.458 8.527 ( 3.480 2.452 0.000) 4.257 8.677 ( 7.857 -1.719 0.000) 8.043 8.738 ( 4.710 1.662 0.000) 4.995 8.792 ( -2.299 -0.000 0.000) 2.299 8.848 ( 14.167 -1.913 0.000) 14.296 8.891 ( 3.925 3.303 0.000) 5.130 8.934 ( 1.292 -3.385 0.000) 3.624 9.245 ( 7.531 -1.565 0.000) 7.691 9.322 ( -2.033 0.159 0.000) 2.039 9.502 ( -0.738 0.144 0.000) 0.752 9.653 ( -0.042 1.878 0.000) 1.878 9.868 ( 15.973 -0.295 0.000) 15.975 9.930 ( -3.998 -0.549 0.000) 4.035 10.083 ( 2.326 -2.554 0.000) 3.454 10.251 ( 14.811 1.078 0.000) 14.851 10.303 ( 6.710 -1.611 0.000) 6.901 11.307 ( 0.252 -0.011 0.000) 0.253 11.340 ( -0.811 2.416 0.000) 2.549 11.457 ( -2.275 -0.058 0.000) 2.275 11.514 ( -1.377 -0.199 0.000) 1.391 11.858 ( -7.039 0.191 0.000) 7.042 12.281 ( -10.780 -7.027 0.000) 12.868 12.535 ( -27.071 0.961 0.000) 27.088 12.997 ( -4.259 -1.472 0.000) 4.506 13.111 ( -11.262 -1.132 0.000) 11.319 13.356 ( 12.772 1.028 0.000) 12.813 13.457 ( 4.148 16.545 0.000) 17.057 13.818 ( -5.510 -8.020 0.000) 9.730 13.818 ( 0.961 11.186 0.000) 11.227 14.011 ( 10.647 8.088 0.000) 13.370 14.228 ( 4.194 -23.197 0.000) 23.573 14.841 ( 9.349 -0.753 0.000) 9.379 15.294 ( -0.021 3.723 0.000) 3.723 16.725 ( 1.052 0.001 0.000) 1.052 16.960 ( -2.291 -0.247 0.000) 2.304 17.602 ( -1.580 -0.129 0.000) 1.585 17.731 ( -2.938 1.143 0.000) 3.152 17.922 ( 2.259 -1.078 0.000) 2.503 18.124 ( -1.166 0.795 0.000) 1.411 18.162 ( 2.635 -0.613 0.000) 2.705 18.792 ( -8.500 -8.518 0.000) 12.033 19.088 ( -5.277 12.597 0.000) 13.658 19.336 ( -3.512 -0.139 0.000) 3.515 20.043 ( 14.242 -3.849 0.000) 14.753 20.521 ( 6.191 -0.640 0.000) 6.224 20.766 ( -3.906 -0.533 0.000) 3.942 21.253 ( -4.309 6.969 0.000) 8.193 21.293 ( -0.285 -6.379 0.000) 6.386 21.538 ( -3.680 0.457 0.000) 3.708 22.968 ( 4.664 0.015 0.000) 4.664 23.257 ( -0.435 -0.005 0.000) 0.435 ======================= Grid point 2 (3/55) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 22.610 -7.403 0.000) 23.791 1.059 ( 25.397 4.908 0.000) 25.867 1.761 ( -11.560 -4.827 0.000) 12.527 1.818 ( 22.719 0.335 0.000) 22.721 2.186 ( 6.864 5.697 0.000) 8.921 2.303 ( -14.915 -0.440 0.000) 14.922 2.935 ( 2.409 -4.566 0.000) 5.163 2.950 ( 0.951 -3.412 0.000) 3.542 3.101 ( -0.852 7.837 0.000) 7.883 3.166 ( -1.646 8.278 0.000) 8.440 3.260 ( -1.943 4.860 0.000) 5.234 3.291 ( -8.863 -12.693 0.000) 15.481 3.609 ( -4.307 -3.050 0.000) 5.277 3.664 ( 1.382 -6.466 0.000) 6.612 3.789 ( -9.100 11.248 0.000) 14.468 4.198 ( 11.085 -3.356 0.000) 11.581 4.205 ( 3.188 -0.618 0.000) 3.248 4.357 ( 1.247 4.150 0.000) 4.334 4.397 ( -9.713 -6.798 0.000) 11.856 4.554 ( 11.526 -7.028 0.000) 13.500 4.619 ( -17.738 4.768 0.000) 18.368 4.640 ( 7.944 2.231 0.000) 8.251 4.852 ( -3.049 -5.362 0.000) 6.168 5.014 ( -8.522 7.388 0.000) 11.279 5.172 ( 7.991 -2.311 0.000) 8.319 5.375 ( -1.985 7.271 0.000) 7.537 5.501 ( 10.877 -1.519 0.000) 10.982 5.630 ( 13.146 -2.872 0.000) 13.456 5.819 ( -6.208 -2.700 0.000) 6.769 6.197 ( -8.261 2.414 0.000) 8.607 6.263 ( 2.623 1.715 0.000) 3.134 6.453 ( -7.368 -0.517 0.000) 7.386 6.787 ( 5.923 0.385 0.000) 5.935 7.078 ( -12.291 -1.000 0.000) 12.331 7.205 ( 8.438 0.251 0.000) 8.441 7.418 ( -8.036 -0.597 0.000) 8.058 7.531 ( -9.661 -1.340 0.000) 9.754 7.631 ( -11.588 0.921 0.000) 11.624 7.918 ( 1.612 2.621 0.000) 3.078 7.992 ( -1.806 -3.120 0.000) 3.605 8.207 ( 0.655 -0.374 0.000) 0.754 8.216 ( -0.895 -0.256 0.000) 0.931 8.351 ( 0.144 2.156 0.000) 2.161 8.382 ( -0.465 -1.078 0.000) 1.174 8.607 ( 3.902 1.566 0.000) 4.204 8.613 ( 4.547 1.475 0.000) 4.780 8.747 ( -1.284 0.327 0.000) 1.325 8.785 ( 0.944 1.525 0.000) 1.794 8.786 ( 2.779 -2.214 0.000) 3.553 8.845 ( -3.511 1.934 0.000) 4.009 9.122 ( 10.712 -1.794 0.000) 10.861 9.133 ( 12.702 -2.462 0.000) 12.939 9.292 ( -1.161 1.200 0.000) 1.670 9.433 ( 10.944 -2.133 0.000) 11.150 9.473 ( -3.099 0.891 0.000) 3.224 9.654 ( 0.050 1.239 0.000) 1.240 9.855 ( -3.233 -1.989 0.000) 3.796 9.918 ( -5.060 3.307 0.000) 6.044 10.430 ( 23.724 -6.433 0.000) 24.580 10.486 ( 11.900 -0.808 0.000) 11.927 10.608 ( 20.298 1.959 0.000) 20.392 11.265 ( -7.380 4.128 0.000) 8.456 11.323 ( 1.014 -0.265 0.000) 1.048 11.400 ( -3.292 -0.420 0.000) 3.319 11.464 ( -4.518 -1.362 0.000) 4.719 11.635 ( -15.965 1.403 0.000) 16.026 12.038 ( -11.696 -6.289 0.000) 13.280 12.067 ( -16.791 1.573 0.000) 16.865 12.886 ( -9.207 1.204 0.000) 9.285 12.888 ( -5.980 -1.692 0.000) 6.215 13.539 ( 3.735 16.324 0.000) 16.746 13.560 ( 7.628 1.934 0.000) 7.869 13.724 ( -2.840 -15.374 0.000) 15.634 13.819 ( -1.310 12.501 0.000) 12.570 14.219 ( 8.849 15.525 0.000) 17.870 14.311 ( 3.330 -28.441 0.000) 28.635 15.037 ( 9.485 -3.150 0.000) 9.995 15.274 ( -2.320 5.748 0.000) 6.199 16.760 ( 2.592 0.046 0.000) 2.592 16.899 ( -3.644 -0.335 0.000) 3.659 17.578 ( -0.391 -0.732 0.000) 0.830 17.663 ( -3.738 1.774 0.000) 4.137 17.975 ( 2.992 -1.759 0.000) 3.470 18.089 ( -2.299 1.444 0.000) 2.715 18.236 ( 4.881 -0.329 0.000) 4.892 18.566 ( -12.101 -4.108 0.000) 12.779 19.062 ( 1.803 7.169 0.000) 7.392 19.242 ( -5.623 -1.007 0.000) 5.713 20.314 ( 12.143 -0.190 0.000) 12.144 20.663 ( -6.362 -2.264 0.000) 6.753 20.698 ( 11.299 -3.986 0.000) 11.981 21.130 ( -8.169 9.183 0.000) 12.290 21.297 ( 1.163 -6.464 0.000) 6.567 21.445 ( -5.288 1.378 0.000) 5.464 23.077 ( 5.759 0.054 0.000) 5.759 23.236 ( -1.876 -0.029 0.000) 1.877 ======================= Grid point 3 (4/55) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 13.716 -12.372 0.000) 18.471 1.278 ( -13.716 12.372 0.000) 18.471 1.704 ( -16.461 8.060 0.000) 18.329 1.704 ( 16.461 -8.060 0.000) 18.329 2.268 ( 0.041 -4.406 0.000) 4.406 2.268 ( -0.041 4.406 0.000) 4.406 2.983 ( 0.965 -5.171 0.000) 5.260 2.983 ( -0.965 5.171 0.000) 5.260 3.136 ( 0.370 -9.904 0.000) 9.911 3.136 ( -0.370 9.904 0.000) 9.911 3.187 ( -4.462 1.049 0.000) 4.583 3.187 ( 4.462 -1.049 0.000) 4.583 3.649 ( -6.346 2.984 0.000) 7.013 3.649 ( 6.346 -2.984 0.000) 7.013 3.901 ( -22.705 0.354 0.000) 22.708 3.901 ( 22.705 -0.354 0.000) 22.708 4.347 ( 2.022 -2.214 0.000) 2.998 4.347 ( -2.022 2.214 0.000) 2.998 4.399 ( 8.978 -6.581 0.000) 11.132 4.399 ( -8.978 6.581 0.000) 11.132 4.759 ( -7.134 -5.612 0.000) 9.077 4.759 ( 7.134 5.612 0.000) 9.077 4.811 ( 10.638 -7.990 0.000) 13.305 4.811 ( -10.638 7.990 0.000) 13.305 5.308 ( 5.164 -6.573 0.000) 8.358 5.308 ( -5.164 6.573 0.000) 8.358 5.681 ( -7.711 0.088 0.000) 7.712 5.681 ( 7.711 -0.088 0.000) 7.712 5.932 ( -16.336 3.320 0.000) 16.670 5.932 ( 16.336 -3.320 0.000) 16.670 6.342 ( -4.907 -2.180 0.000) 5.370 6.342 ( 4.907 2.180 0.000) 5.370 6.901 ( -6.116 -1.244 0.000) 6.241 6.901 ( 6.116 1.244 0.000) 6.241 7.357 ( -6.938 -0.388 0.000) 6.949 7.357 ( 6.938 0.388 0.000) 6.949 7.424 ( -8.328 1.062 0.000) 8.395 7.424 ( 8.328 -1.062 0.000) 8.395 7.953 ( -1.930 -3.258 0.000) 3.787 7.953 ( 1.930 3.258 0.000) 3.787 8.210 ( 0.016 -0.247 0.000) 0.247 8.210 ( -0.016 0.247 0.000) 0.247 8.367 ( -1.028 -1.941 0.000) 2.196 8.367 ( 1.028 1.941 0.000) 2.196 8.660 ( -0.827 -1.350 0.000) 1.584 8.660 ( 0.827 1.350 0.000) 1.584 8.756 ( -2.786 -1.737 0.000) 3.283 8.756 ( 2.786 1.737 0.000) 3.283 8.813 ( 0.296 -2.969 0.000) 2.984 8.813 ( -0.296 2.969 0.000) 2.984 9.255 ( 3.376 -2.092 0.000) 3.972 9.255 ( -3.376 2.092 0.000) 3.972 9.354 ( -9.016 1.463 0.000) 9.134 9.354 ( 9.016 -1.463 0.000) 9.134 9.618 ( -5.656 0.316 0.000) 5.665 9.618 ( 5.656 -0.316 0.000) 5.665 9.829 ( 1.813 -4.393 0.000) 4.752 9.829 ( -1.813 4.393 0.000) 4.752 10.690 ( -2.342 -2.186 0.000) 3.204 10.690 ( 2.342 2.186 0.000) 3.204 11.013 ( -18.275 2.270 0.000) 18.415 11.013 ( 18.275 -2.270 0.000) 18.415 11.346 ( 0.417 -0.721 0.000) 0.833 11.346 ( -0.417 0.721 0.000) 0.833 11.387 ( -3.503 1.654 0.000) 3.874 11.387 ( 3.503 -1.654 0.000) 3.874 11.910 ( 0.116 -2.573 0.000) 2.576 11.910 ( -0.116 2.573 0.000) 2.576 12.805 ( -1.046 -1.397 0.000) 1.745 12.805 ( 1.046 1.397 0.000) 1.745 13.599 ( -2.209 -9.565 0.000) 9.817 13.599 ( 2.209 9.565 0.000) 9.817 13.759 ( 4.448 -11.719 0.000) 12.535 13.759 ( -4.448 11.719 0.000) 12.535 14.329 ( -2.090 -23.268 0.000) 23.361 14.329 ( 2.090 23.268 0.000) 23.361 15.193 ( 6.047 -5.376 0.000) 8.091 15.193 ( -6.047 5.376 0.000) 8.091 16.825 ( -3.731 -0.208 0.000) 3.737 16.825 ( 3.731 0.208 0.000) 3.737 17.598 ( 2.417 -1.532 0.000) 2.861 17.598 ( -2.417 1.532 0.000) 2.861 18.035 ( 3.042 -1.843 0.000) 3.557 18.035 ( -3.042 1.843 0.000) 3.557 18.363 ( -8.239 -1.041 0.000) 8.305 18.363 ( 8.239 1.041 0.000) 8.305 19.133 ( -4.986 -3.057 0.000) 5.849 19.133 ( 4.986 3.057 0.000) 5.849 20.516 ( -8.626 -2.675 0.000) 9.031 20.516 ( 8.626 2.675 0.000) 9.031 20.933 ( 11.575 -7.474 0.000) 13.778 20.933 ( -11.575 7.474 0.000) 13.778 21.349 ( 4.032 -3.412 0.000) 5.282 21.349 ( -4.032 3.412 0.000) 5.282 23.177 ( -4.122 -0.058 0.000) 4.122 23.177 ( 4.122 0.058 0.000) 4.122 ======================= Grid point 8 (5/55) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 10.676 19.007 0.000) 21.801 0.737 ( 19.194 16.298 0.000) 25.180 1.401 ( 34.059 32.544 0.000) 47.108 1.874 ( -6.667 -1.345 0.000) 6.802 2.125 ( 11.593 4.775 0.000) 12.538 2.571 ( -7.435 -7.578 0.000) 10.616 2.816 ( -6.812 -3.279 0.000) 7.560 2.946 ( -7.447 -1.818 0.000) 7.665 3.073 ( -1.959 -10.561 0.000) 10.741 3.164 ( 0.002 -9.299 0.000) 9.299 3.258 ( -5.310 -4.288 0.000) 6.826 3.473 ( -10.575 5.897 0.000) 12.108 3.675 ( -0.883 1.090 0.000) 1.403 3.768 ( -10.072 -0.466 0.000) 10.082 3.857 ( 4.841 -17.994 0.000) 18.633 4.034 ( 6.913 6.020 0.000) 9.167 4.110 ( -5.792 1.967 0.000) 6.117 4.215 ( 4.536 0.983 0.000) 4.641 4.469 ( 1.473 6.917 0.000) 7.073 4.485 ( -1.288 -0.356 0.000) 1.337 4.581 ( 8.242 6.670 0.000) 10.603 4.895 ( -7.108 0.025 0.000) 7.108 4.929 ( -2.665 0.887 0.000) 2.809 5.018 ( -0.228 -2.152 0.000) 2.164 5.170 ( 5.878 -4.719 0.000) 7.538 5.319 ( 8.715 7.722 0.000) 11.644 5.486 ( 1.359 7.992 0.000) 8.106 5.501 ( 8.783 -0.364 0.000) 8.791 5.905 ( -5.993 0.942 0.000) 6.067 6.180 ( -2.552 -5.438 0.000) 6.007 6.243 ( 1.373 0.002 0.000) 1.373 6.553 ( -5.909 -6.591 0.000) 8.852 6.690 ( 0.425 0.385 0.000) 0.574 7.114 ( 5.250 5.300 0.000) 7.460 7.220 ( -11.946 -11.120 0.000) 16.321 7.509 ( -12.338 -12.453 0.000) 17.530 7.649 ( -6.444 -2.598 0.000) 6.948 7.736 ( -7.475 -10.180 0.000) 12.630 7.915 ( 2.175 -0.173 0.000) 2.181 8.080 ( -1.634 4.849 0.000) 5.117 8.160 ( 2.392 -0.056 0.000) 2.393 8.215 ( -2.221 -2.750 0.000) 3.535 8.296 ( -2.580 -4.961 0.000) 5.592 8.379 ( -1.620 -0.717 0.000) 1.772 8.571 ( 4.757 3.383 0.000) 5.838 8.617 ( 6.041 2.769 0.000) 6.646 8.743 ( 3.439 6.461 0.000) 7.319 8.757 ( 3.787 1.379 0.000) 4.030 8.775 ( -0.632 -0.599 0.000) 0.871 8.879 ( 1.231 -1.946 0.000) 2.303 9.008 ( 9.594 12.647 0.000) 15.874 9.059 ( 9.039 10.489 0.000) 13.847 9.305 ( -0.796 -1.538 0.000) 1.731 9.307 ( 4.808 8.173 0.000) 9.482 9.491 ( -0.523 -0.518 0.000) 0.736 9.776 ( 9.380 1.719 0.000) 9.536 9.909 ( -2.635 -1.134 0.000) 2.869 9.921 ( 8.060 9.739 0.000) 12.642 10.201 ( -1.288 12.610 0.000) 12.676 10.285 ( 14.002 5.409 0.000) 15.011 10.340 ( 3.035 5.265 0.000) 6.077 11.307 ( 0.110 0.138 0.000) 0.177 11.372 ( 3.068 -1.890 0.000) 3.603 11.436 ( -2.205 -1.979 0.000) 2.963 11.502 ( -1.614 -0.834 0.000) 1.817 11.797 ( -5.745 -6.466 0.000) 8.650 12.284 ( -20.112 -21.861 0.000) 29.705 12.317 ( -16.445 3.317 0.000) 16.776 12.970 ( -2.636 -13.534 0.000) 13.789 13.000 ( -3.171 -0.742 0.000) 3.257 13.111 ( -4.217 -25.122 0.000) 25.474 13.424 ( 6.996 4.787 0.000) 8.477 13.622 ( -15.406 -7.047 0.000) 16.941 13.679 ( 0.917 3.260 0.000) 3.386 14.241 ( 19.282 10.766 0.000) 22.084 14.683 ( 4.938 23.131 0.000) 23.652 14.940 ( 7.692 9.998 0.000) 12.615 15.321 ( 6.085 -2.482 0.000) 6.571 16.730 ( 0.558 0.548 0.000) 0.782 16.939 ( -2.515 -2.024 0.000) 3.228 17.579 ( -2.205 -1.768 0.000) 2.827 17.672 ( -3.322 -5.255 0.000) 6.217 17.944 ( 1.517 3.392 0.000) 3.716 18.136 ( 2.008 -1.084 0.000) 2.282 18.169 ( 0.180 2.637 0.000) 2.643 18.753 ( -12.106 3.041 0.000) 12.483 19.013 ( 3.711 -17.415 0.000) 17.806 19.291 ( -4.740 -4.212 0.000) 6.341 20.073 ( 5.390 10.201 0.000) 11.538 20.566 ( 3.819 5.603 0.000) 6.780 20.751 ( -2.852 -0.805 0.000) 2.963 21.107 ( -6.127 -10.945 0.000) 12.544 21.380 ( 1.910 4.458 0.000) 4.850 21.561 ( -0.301 -1.139 0.000) 1.178 23.011 ( 4.037 3.993 0.000) 5.679 23.256 ( -0.213 -0.196 0.000) 0.289 ======================= Grid point 9 (6/55) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 10.453 7.905 0.000) 13.106 1.188 ( 24.788 5.877 0.000) 25.475 1.715 ( -10.031 1.183 0.000) 10.100 2.028 ( 20.600 19.825 0.000) 28.590 2.327 ( -13.395 2.541 0.000) 13.634 2.349 ( 8.588 9.026 0.000) 12.459 2.731 ( -1.084 -12.890 0.000) 12.936 2.821 ( -0.314 -8.079 0.000) 8.086 3.075 ( -1.330 -6.934 0.000) 7.060 3.163 ( 1.246 -11.283 0.000) 11.352 3.236 ( -9.524 2.751 0.000) 9.914 3.253 ( 0.970 -2.740 0.000) 2.906 3.586 ( -3.844 -1.552 0.000) 4.145 3.645 ( 0.418 5.872 0.000) 5.887 3.800 ( -9.938 -7.475 0.000) 12.435 4.134 ( 3.526 -5.387 0.000) 6.439 4.152 ( 4.985 -0.881 0.000) 5.062 4.362 ( -11.382 0.524 0.000) 11.394 4.394 ( 10.004 0.433 0.000) 10.013 4.498 ( 2.828 4.275 0.000) 5.126 4.678 ( -11.000 -2.734 0.000) 11.334 4.758 ( 8.794 7.401 0.000) 11.494 4.821 ( -4.788 4.831 0.000) 6.802 5.066 ( -0.474 0.589 0.000) 0.756 5.259 ( 3.269 7.887 0.000) 8.538 5.484 ( 7.533 -0.235 0.000) 7.536 5.609 ( 0.619 11.637 0.000) 11.654 5.614 ( 11.717 3.073 0.000) 12.114 5.761 ( -6.284 -2.347 0.000) 6.708 6.126 ( -4.793 -9.058 0.000) 10.248 6.279 ( 2.443 -0.445 0.000) 2.483 6.410 ( -7.792 -3.663 0.000) 8.610 6.728 ( 3.351 -5.763 0.000) 6.666 6.952 ( -13.265 -9.916 0.000) 16.562 7.249 ( 8.037 3.846 0.000) 8.910 7.303 ( -6.464 -8.064 0.000) 10.335 7.504 ( -7.671 -1.081 0.000) 7.747 7.552 ( -9.958 -8.412 0.000) 13.035 7.980 ( 3.610 2.587 0.000) 4.441 8.015 ( -3.511 4.171 0.000) 5.452 8.188 ( -0.631 -1.972 0.000) 2.070 8.193 ( 0.312 -0.907 0.000) 0.959 8.298 ( 1.859 -4.633 0.000) 4.992 8.338 ( -2.355 -1.973 0.000) 3.072 8.656 ( 3.583 2.455 0.000) 4.344 8.707 ( 3.251 3.244 0.000) 4.593 8.748 ( -0.348 0.743 0.000) 0.820 8.807 ( 0.573 0.902 0.000) 1.069 8.817 ( 1.919 5.497 0.000) 5.822 8.897 ( 0.310 1.016 0.000) 1.062 9.179 ( 6.237 6.864 0.000) 9.274 9.247 ( 9.320 11.372 0.000) 14.703 9.302 ( 0.362 -0.572 0.000) 0.677 9.477 ( -1.302 0.645 0.000) 1.453 9.480 ( 12.818 8.197 0.000) 15.215 9.837 ( -1.036 13.857 0.000) 13.896 9.845 ( -3.412 1.643 0.000) 3.787 10.071 ( -3.373 10.149 0.000) 10.695 10.333 ( 20.435 -1.770 0.000) 20.512 10.476 ( 10.889 0.668 0.000) 10.909 10.644 ( 20.126 2.734 0.000) 20.311 11.312 ( 0.231 0.072 0.000) 0.242 11.377 ( -3.415 -1.867 0.000) 3.892 11.380 ( -4.043 3.513 0.000) 5.356 11.434 ( -5.548 -1.469 0.000) 5.739 11.620 ( -12.933 -2.957 0.000) 13.266 11.900 ( -18.650 -6.435 0.000) 19.729 11.902 ( -13.988 -16.707 0.000) 21.789 12.887 ( -5.630 -1.617 0.000) 5.857 12.903 ( -5.508 1.796 0.000) 5.794 13.210 ( 8.541 -37.331 0.000) 38.296 13.306 ( -13.476 -19.905 0.000) 24.037 13.609 ( 7.737 2.272 0.000) 8.064 13.727 ( 2.436 -0.462 0.000) 2.479 14.616 ( 17.732 17.906 0.000) 25.200 14.649 ( -4.600 29.796 0.000) 30.149 15.086 ( 5.944 8.617 0.000) 10.469 15.401 ( 0.772 6.009 0.000) 6.058 16.753 ( 1.941 -0.712 0.000) 2.068 16.873 ( -3.827 -2.258 0.000) 4.443 17.535 ( -1.759 -3.121 0.000) 3.583 17.612 ( -2.801 -6.231 0.000) 6.831 17.988 ( 2.767 3.308 0.000) 4.312 18.145 ( -1.434 3.925 0.000) 4.179 18.225 ( 5.808 -0.864 0.000) 5.872 18.532 ( -10.261 1.027 0.000) 10.313 19.035 ( 0.683 -10.551 0.000) 10.573 19.159 ( -8.107 -6.860 0.000) 10.620 20.290 ( 14.195 -0.341 0.000) 14.199 20.643 ( -7.468 -0.129 0.000) 7.469 20.657 ( 4.891 2.209 0.000) 5.366 21.025 ( -3.255 -11.369 0.000) 11.826 21.387 ( -0.328 7.434 0.000) 7.442 21.517 ( -3.214 3.158 0.000) 4.506 23.106 ( 5.055 2.688 0.000) 5.726 23.241 ( -1.478 0.451 0.000) 1.545 ======================= Grid point 10 (7/55) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 7.733 -4.523 0.000) 8.958 1.399 ( -14.920 -3.440 0.000) 15.312 1.733 ( 22.970 11.712 0.000) 25.784 1.918 ( -13.782 11.126 0.000) 17.713 2.327 ( 0.151 11.457 0.000) 11.458 2.444 ( 0.493 11.810 0.000) 11.820 2.763 ( 3.629 -14.348 0.000) 14.800 2.852 ( -0.737 -10.577 0.000) 10.603 3.084 ( 0.042 0.091 0.000) 0.100 3.101 ( -2.706 -7.305 0.000) 7.790 3.134 ( -7.386 -4.475 0.000) 8.636 3.254 ( 5.605 -4.420 0.000) 7.138 3.575 ( -9.020 -6.284 0.000) 10.993 3.579 ( 0.528 3.047 0.000) 3.092 3.911 ( 22.709 -2.994 0.000) 22.906 3.976 ( -12.639 1.859 0.000) 12.775 4.235 ( 4.555 -6.598 0.000) 8.018 4.291 ( 0.939 -3.274 0.000) 3.406 4.480 ( -10.606 0.232 0.000) 10.608 4.487 ( 2.487 9.354 0.000) 9.679 4.670 ( 11.546 -4.056 0.000) 12.238 4.727 ( -5.132 3.602 0.000) 6.270 4.900 ( 5.122 7.096 0.000) 8.751 4.947 ( -9.747 5.531 0.000) 11.207 5.343 ( 4.824 9.963 0.000) 11.069 5.488 ( -10.498 8.592 0.000) 13.566 5.665 ( 9.837 -2.218 0.000) 10.084 5.700 ( -2.366 2.705 0.000) 3.594 5.866 ( 13.303 -2.130 0.000) 13.472 5.938 ( -14.103 -3.794 0.000) 14.605 6.286 ( -4.271 -2.381 0.000) 4.890 6.339 ( 3.164 -2.645 0.000) 4.124 6.763 ( -5.253 -11.021 0.000) 12.209 6.810 ( 5.531 -9.038 0.000) 10.596 7.298 ( 5.917 -6.006 0.000) 8.432 7.352 ( -6.559 -2.006 0.000) 6.859 7.386 ( -6.959 -2.399 0.000) 7.360 7.418 ( 8.526 1.087 0.000) 8.595 7.952 ( -2.645 2.818 0.000) 3.864 8.048 ( 3.228 4.715 0.000) 5.714 8.185 ( 0.369 -1.850 0.000) 1.887 8.192 ( -0.217 -1.851 0.000) 1.864 8.286 ( -3.038 -4.094 0.000) 5.098 8.339 ( 1.864 -2.959 0.000) 3.497 8.708 ( 1.592 0.560 0.000) 1.687 8.717 ( -1.889 4.413 0.000) 4.801 8.775 ( 2.269 -0.253 0.000) 2.283 8.780 ( -2.903 4.100 0.000) 5.024 8.827 ( -0.509 4.777 0.000) 4.804 8.894 ( -0.792 4.406 0.000) 4.476 9.246 ( 1.667 0.530 0.000) 1.750 9.301 ( -1.111 0.841 0.000) 1.393 9.408 ( 6.190 7.618 0.000) 9.816 9.413 ( -5.867 4.498 0.000) 7.393 9.742 ( 9.198 11.367 0.000) 14.623 9.767 ( -6.527 12.770 0.000) 14.341 9.798 ( 1.867 2.282 0.000) 2.948 9.962 ( -5.763 9.138 0.000) 10.804 10.618 ( 1.387 -3.723 0.000) 3.973 10.690 ( 4.943 -1.272 0.000) 5.104 10.996 ( 14.801 -0.312 0.000) 14.804 11.100 ( -22.383 6.083 0.000) 23.195 11.328 ( 2.229 -2.808 0.000) 3.585 11.351 ( 0.433 -0.479 0.000) 0.646 11.371 ( 5.144 1.619 0.000) 5.393 11.402 ( -5.379 -0.169 0.000) 5.382 11.723 ( 0.761 -14.587 0.000) 14.607 11.802 ( 4.202 -12.348 0.000) 13.044 12.822 ( -1.612 1.846 0.000) 2.451 12.849 ( 2.020 1.286 0.000) 2.394 13.065 ( -11.071 -28.709 0.000) 30.770 13.345 ( 5.304 -29.330 0.000) 29.806 13.723 ( 3.298 0.835 0.000) 3.402 13.729 ( -2.802 -2.606 0.000) 3.826 14.548 ( -5.539 27.642 0.000) 28.191 14.913 ( 11.408 27.278 0.000) 29.567 15.154 ( 1.323 2.412 0.000) 2.751 15.345 ( -6.244 9.312 0.000) 11.212 16.801 ( -3.203 -2.017 0.000) 3.785 16.807 ( 3.464 -1.877 0.000) 3.940 17.527 ( 1.127 -4.898 0.000) 5.027 17.564 ( -1.766 -4.735 0.000) 5.054 18.047 ( 3.069 3.177 0.000) 4.418 18.099 ( -3.170 4.045 0.000) 5.139 18.356 ( -7.362 0.644 0.000) 7.390 18.386 ( 10.638 1.169 0.000) 10.702 18.993 ( -8.171 -10.045 0.000) 12.949 19.082 ( 4.178 -8.360 0.000) 9.346 20.481 ( -8.763 -1.415 0.000) 8.877 20.569 ( 13.030 -0.278 0.000) 13.033 20.743 ( 3.876 -5.301 0.000) 6.567 20.921 ( -7.900 -4.997 0.000) 9.348 21.409 ( 3.078 6.268 0.000) 6.983 21.463 ( -1.972 5.122 0.000) 5.489 23.192 ( -3.544 1.432 0.000) 3.822 23.193 ( 3.521 1.440 0.000) 3.804 ======================= Grid point 12 (8/55) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -18.061 6.228 0.000) 19.105 1.053 ( -12.440 4.678 0.000) 13.290 1.815 ( 2.912 -0.052 0.000) 2.912 2.020 ( -14.551 18.962 0.000) 23.902 2.243 ( -6.610 12.171 0.000) 13.850 2.341 ( 5.840 3.407 0.000) 6.761 2.827 ( -3.362 -12.486 0.000) 12.931 2.845 ( 4.909 -12.143 0.000) 13.098 2.989 ( 4.836 -8.384 0.000) 9.679 3.024 ( -2.531 -0.380 0.000) 2.559 3.179 ( 3.318 -1.505 0.000) 3.643 3.455 ( 12.996 -11.848 0.000) 17.586 3.586 ( 1.177 7.914 0.000) 8.001 3.607 ( 8.757 -4.396 0.000) 9.799 3.790 ( -6.539 3.351 0.000) 7.348 4.136 ( 0.603 -6.480 0.000) 6.508 4.224 ( -10.704 -2.886 0.000) 11.086 4.293 ( -4.805 2.433 0.000) 5.386 4.439 ( 7.069 -5.490 0.000) 8.951 4.610 ( -6.775 2.621 0.000) 7.264 4.637 ( 18.023 3.234 0.000) 18.311 4.743 ( -9.872 7.457 0.000) 12.372 4.881 ( 9.275 -0.449 0.000) 9.286 4.954 ( 0.628 2.780 0.000) 2.850 5.262 ( -11.255 5.807 0.000) 12.665 5.436 ( 4.541 11.254 0.000) 12.136 5.578 ( -12.798 6.134 0.000) 14.193 5.656 ( -10.383 -1.002 0.000) 10.432 5.842 ( 7.253 -1.044 0.000) 7.328 6.085 ( 6.998 -7.335 0.000) 10.138 6.240 ( -0.522 0.035 0.000) 0.523 6.411 ( 5.605 -4.388 0.000) 7.119 6.710 ( -1.455 -6.599 0.000) 6.758 6.980 ( 11.553 -9.562 0.000) 14.997 7.241 ( -6.823 3.624 0.000) 7.725 7.327 ( 4.025 -7.466 0.000) 8.481 7.492 ( 12.354 -6.282 0.000) 13.859 7.568 ( 6.248 -3.794 0.000) 7.310 7.918 ( -0.771 3.006 0.000) 3.103 8.102 ( 1.937 5.896 0.000) 6.206 8.189 ( 0.178 -2.161 0.000) 2.168 8.199 ( -1.147 -1.567 0.000) 1.942 8.228 ( -0.219 -6.174 0.000) 6.178 8.365 ( 0.853 -1.953 0.000) 2.131 8.654 ( -4.256 4.444 0.000) 6.153 8.688 ( -4.073 4.115 0.000) 5.790 8.745 ( 0.719 1.647 0.000) 1.798 8.785 ( -1.245 1.894 0.000) 2.266 8.838 ( 1.975 1.203 0.000) 2.312 8.857 ( -3.357 4.062 0.000) 5.269 9.233 ( -7.380 4.470 0.000) 8.628 9.247 ( -9.429 9.444 0.000) 13.345 9.273 ( 1.427 -0.435 0.000) 1.492 9.480 ( 1.357 1.961 0.000) 2.385 9.548 ( -14.463 9.420 0.000) 17.260 9.762 ( 0.621 11.087 0.000) 11.104 9.899 ( -0.623 2.161 0.000) 2.249 9.966 ( 6.306 7.230 0.000) 9.594 10.483 ( -8.955 -0.534 0.000) 8.971 10.538 ( -15.575 -0.648 0.000) 15.589 10.592 ( -26.211 6.152 0.000) 26.924 11.247 ( 9.375 1.406 0.000) 9.479 11.333 ( -1.305 0.562 0.000) 1.421 11.388 ( 2.535 -1.786 0.000) 3.101 11.477 ( 2.293 -0.645 0.000) 2.382 11.578 ( 16.592 -3.855 0.000) 17.034 11.872 ( 14.993 -15.893 0.000) 21.848 12.095 ( 21.329 -2.985 0.000) 21.537 12.861 ( 1.364 -5.401 0.000) 5.571 12.881 ( -1.760 -27.028 0.000) 27.085 12.933 ( 5.140 0.826 0.000) 5.206 13.435 ( 3.874 -18.699 0.000) 19.096 13.627 ( -6.192 -4.328 0.000) 7.554 13.736 ( -1.635 0.086 0.000) 1.638 14.421 ( -7.585 23.935 0.000) 25.108 14.969 ( -6.919 23.054 0.000) 24.070 15.167 ( -11.300 8.656 0.000) 14.235 15.221 ( 6.281 3.903 0.000) 7.395 16.751 ( -1.774 -0.743 0.000) 1.923 16.881 ( 3.659 -2.302 0.000) 4.323 17.552 ( 0.580 -3.203 0.000) 3.255 17.578 ( 3.898 -5.500 0.000) 6.741 18.024 ( -4.209 2.801 0.000) 5.056 18.101 ( 2.321 2.897 0.000) 3.713 18.241 ( -4.555 0.120 0.000) 4.557 18.653 ( 16.406 3.520 0.000) 16.780 18.851 ( -6.103 -11.877 0.000) 13.353 19.186 ( 5.855 -6.677 0.000) 8.881 20.294 ( -10.442 -0.770 0.000) 10.471 20.728 ( 2.401 3.319 0.000) 4.097 20.731 ( -10.232 0.667 0.000) 10.253 20.880 ( 11.096 -12.335 0.000) 16.591 21.434 ( -1.449 4.902 0.000) 5.112 21.494 ( 4.727 3.753 0.000) 6.036 23.105 ( -5.003 2.701 0.000) 5.686 23.242 ( 1.430 0.447 0.000) 1.499 ======================= Grid point 16 (9/55) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.881 10.554 0.000) 10.591 1.204 ( 8.260 -4.484 0.000) 9.399 1.832 ( 2.993 10.707 0.000) 11.118 2.259 ( -1.115 -10.341 0.000) 10.401 2.496 ( 5.208 3.701 0.000) 6.389 2.541 ( 12.634 22.708 0.000) 25.986 2.577 ( -6.914 2.820 0.000) 7.467 2.714 ( 7.195 -1.103 0.000) 7.279 2.904 ( 0.325 -10.474 0.000) 10.479 2.965 ( -6.390 -3.281 0.000) 7.183 3.197 ( 2.933 -2.503 0.000) 3.856 3.214 ( -8.665 -4.588 0.000) 9.805 3.477 ( -4.940 -8.408 0.000) 9.751 3.693 ( -3.582 -2.172 0.000) 4.189 3.794 ( -0.896 7.380 0.000) 7.435 4.012 ( -4.402 -7.010 0.000) 8.278 4.161 ( -2.672 1.329 0.000) 2.984 4.266 ( -9.222 -10.192 0.000) 13.745 4.442 ( 10.322 3.981 0.000) 11.063 4.608 ( -3.419 -1.904 0.000) 3.914 4.636 ( 0.646 8.261 0.000) 8.286 4.894 ( -3.073 -2.860 0.000) 4.198 4.919 ( 9.040 8.864 0.000) 12.661 5.056 ( 7.087 -0.477 0.000) 7.103 5.401 ( 8.427 8.150 0.000) 11.724 5.586 ( -3.662 9.528 0.000) 10.207 5.655 ( 6.468 -3.588 0.000) 7.396 5.730 ( 7.620 7.378 0.000) 10.606 5.785 ( -2.244 -2.612 0.000) 3.443 5.937 ( -7.613 -5.988 0.000) 9.686 6.253 ( 0.443 -1.524 0.000) 1.587 6.314 ( -4.765 -4.997 0.000) 6.905 6.594 ( -3.327 -6.477 0.000) 7.281 6.749 ( -12.655 -9.560 0.000) 15.860 7.198 ( -4.197 -1.634 0.000) 4.504 7.334 ( 5.294 4.208 0.000) 6.763 7.350 ( -6.989 -10.324 0.000) 12.467 7.483 ( -4.350 -1.551 0.000) 4.618 8.010 ( 5.336 0.909 0.000) 5.413 8.108 ( -3.967 4.572 0.000) 6.053 8.159 ( -0.774 -0.751 0.000) 1.079 8.171 ( -1.366 -1.651 0.000) 2.143 8.216 ( 3.698 -3.000 0.000) 4.762 8.311 ( -3.494 -1.213 0.000) 3.699 8.727 ( 2.350 4.194 0.000) 4.807 8.732 ( 2.151 0.507 0.000) 2.210 8.795 ( 1.440 2.894 0.000) 3.233 8.812 ( 0.821 -0.732 0.000) 1.100 8.904 ( 4.338 0.791 0.000) 4.410 8.921 ( 2.012 3.947 0.000) 4.430 9.267 ( -0.436 2.010 0.000) 2.056 9.274 ( 0.329 -1.830 0.000) 1.859 9.446 ( 9.001 6.496 0.000) 11.100 9.512 ( 0.838 2.310 0.000) 2.457 9.755 ( 10.123 15.981 0.000) 18.917 9.947 ( 3.071 9.487 0.000) 9.972 10.012 ( 6.975 1.801 0.000) 7.203 10.140 ( 10.841 -3.766 0.000) 11.477 10.504 ( 0.745 16.148 0.000) 16.165 10.532 ( 6.884 5.046 0.000) 8.535 10.810 ( 13.664 16.412 0.000) 21.356 11.261 ( -1.581 -11.868 0.000) 11.972 11.319 ( -4.937 -5.227 0.000) 7.190 11.339 ( -0.292 -0.118 0.000) 0.315 11.422 ( -3.430 -0.353 0.000) 3.448 11.504 ( -3.186 -14.837 0.000) 15.175 11.545 ( -13.851 -8.706 0.000) 16.360 11.795 ( -25.079 -8.456 0.000) 26.467 12.586 ( 0.191 -17.326 0.000) 17.327 12.873 ( 1.308 -1.348 0.000) 1.878 12.880 ( -8.593 -6.290 0.000) 10.650 13.003 ( -16.908 -8.980 0.000) 19.145 13.674 ( 4.663 4.039 0.000) 6.169 13.749 ( 0.668 1.290 0.000) 1.453 14.870 ( 19.688 8.895 0.000) 21.604 15.072 ( -2.038 12.763 0.000) 12.924 15.331 ( 7.060 13.408 0.000) 15.153 15.470 ( 10.362 0.343 0.000) 10.368 16.741 ( -0.027 -0.223 0.000) 0.224 16.816 ( -3.723 -3.202 0.000) 4.910 17.476 ( -3.717 -2.410 0.000) 4.430 17.485 ( -3.361 -5.201 0.000) 6.193 18.081 ( 2.979 5.397 0.000) 6.165 18.193 ( 4.215 -2.006 0.000) 4.668 18.247 ( 2.488 6.123 0.000) 6.610 18.599 ( -10.410 5.103 0.000) 11.593 18.737 ( 2.863 -16.105 0.000) 16.358 18.998 ( -11.522 -8.796 0.000) 14.496 20.335 ( 5.150 4.371 0.000) 6.755 20.618 ( -10.059 -4.193 0.000) 10.898 20.760 ( 2.009 6.570 0.000) 6.871 20.839 ( 3.243 -5.667 0.000) 6.529 21.484 ( 0.711 2.673 0.000) 2.766 21.530 ( -0.022 -1.423 0.000) 1.423 23.169 ( 3.367 3.294 0.000) 4.710 23.245 ( -0.296 -0.246 0.000) 0.385 ======================= Grid point 17 (10/55) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 3.500 3.752 0.000) 5.131 1.257 ( -4.451 -8.441 0.000) 9.543 1.982 ( 12.897 10.930 0.000) 16.905 2.088 ( -13.369 4.928 0.000) 14.248 2.484 ( 1.195 -4.704 0.000) 4.853 2.562 ( 5.734 -3.493 0.000) 6.714 2.724 ( 1.723 19.222 0.000) 19.299 2.765 ( -8.066 0.231 0.000) 8.069 2.952 ( 1.528 -12.217 0.000) 12.312 3.003 ( 1.911 2.590 0.000) 3.219 3.095 ( 0.915 2.002 0.000) 2.201 3.161 ( -2.768 -1.424 0.000) 3.113 3.460 ( -12.051 -5.951 0.000) 13.440 3.604 ( 10.811 -8.914 0.000) 14.012 3.834 ( 7.299 0.790 0.000) 7.342 3.924 ( -5.770 -4.697 0.000) 7.440 4.131 ( 0.989 -3.896 0.000) 4.019 4.178 ( -0.710 -7.139 0.000) 7.174 4.530 ( -4.509 4.326 0.000) 6.249 4.587 ( 1.883 -0.130 0.000) 1.887 4.722 ( 10.063 7.531 0.000) 12.569 4.789 ( -6.859 1.696 0.000) 7.066 5.046 ( 3.028 7.827 0.000) 8.392 5.079 ( -5.488 6.827 0.000) 8.759 5.577 ( 3.657 9.362 0.000) 10.051 5.578 ( -8.686 0.666 0.000) 8.712 5.600 ( 10.798 -1.659 0.000) 10.925 5.769 ( -7.916 -1.545 0.000) 8.065 5.833 ( -1.100 -0.261 0.000) 1.131 5.862 ( 5.185 1.162 0.000) 5.314 6.247 ( -1.483 -2.362 0.000) 2.789 6.258 ( 0.786 -4.513 0.000) 4.581 6.555 ( -4.554 -7.969 0.000) 9.179 6.606 ( 4.332 -10.255 0.000) 11.132 7.196 ( 4.289 -3.523 0.000) 5.551 7.233 ( -4.483 -6.341 0.000) 7.766 7.408 ( -3.425 1.815 0.000) 3.876 7.430 ( 3.943 0.031 0.000) 3.943 8.040 ( -2.542 5.373 0.000) 5.944 8.107 ( 4.204 1.464 0.000) 4.452 8.155 ( 0.082 -1.386 0.000) 1.388 8.156 ( -0.285 -1.466 0.000) 1.494 8.232 ( -4.049 -1.169 0.000) 4.214 8.277 ( 2.405 -3.347 0.000) 4.121 8.742 ( -0.367 2.796 0.000) 2.820 8.777 ( 1.668 0.460 0.000) 1.731 8.793 ( -1.159 2.775 0.000) 3.007 8.825 ( 0.013 0.519 0.000) 0.520 8.929 ( -1.053 4.752 0.000) 4.867 8.959 ( 0.497 2.345 0.000) 2.397 9.252 ( -0.085 -0.050 0.000) 0.099 9.281 ( 0.155 -2.162 0.000) 2.168 9.511 ( -1.074 4.463 0.000) 4.591 9.539 ( 0.542 3.048 0.000) 3.096 9.948 ( 8.427 9.635 0.000) 12.800 9.981 ( -7.091 6.836 0.000) 9.850 10.021 ( 4.992 16.903 0.000) 17.625 10.175 ( -9.019 9.842 0.000) 13.350 10.618 ( 1.874 5.790 0.000) 6.085 10.692 ( 2.810 2.483 0.000) 3.749 10.983 ( 8.948 -1.251 0.000) 9.035 11.173 ( -0.964 -8.770 0.000) 8.823 11.256 ( -23.650 2.554 0.000) 23.788 11.353 ( 0.506 -0.006 0.000) 0.506 11.384 ( -4.184 -1.408 0.000) 4.415 11.392 ( 8.301 0.259 0.000) 8.305 11.443 ( 3.101 -9.130 0.000) 9.643 11.500 ( 9.598 -16.093 0.000) 18.738 12.586 ( -12.617 -15.962 0.000) 20.346 12.698 ( 8.996 -21.710 0.000) 23.500 12.879 ( -2.056 0.765 0.000) 2.193 12.913 ( 2.760 -4.710 0.000) 5.459 13.740 ( -2.018 1.899 0.000) 2.771 13.746 ( 2.000 1.422 0.000) 2.454 15.003 ( -4.972 16.519 0.000) 17.251 15.141 ( 6.150 2.686 0.000) 6.711 15.430 ( 3.387 16.731 0.000) 17.070 15.522 ( -4.495 7.573 0.000) 8.806 16.756 ( -1.983 -2.157 0.000) 2.931 16.760 ( 2.096 -2.449 0.000) 3.223 17.433 ( -0.042 -3.908 0.000) 3.908 17.451 ( -0.117 -5.415 0.000) 5.416 18.141 ( 3.004 5.269 0.000) 6.065 18.174 ( -3.553 2.948 0.000) 4.617 18.399 ( -9.179 4.313 0.000) 10.141 18.426 ( 12.905 3.836 0.000) 13.463 18.772 ( -10.370 -11.646 0.000) 15.594 18.837 ( 6.948 -14.854 0.000) 16.399 20.448 ( -7.085 -1.675 0.000) 7.280 20.477 ( 8.367 -4.778 0.000) 9.635 20.792 ( 1.080 5.221 0.000) 5.331 20.857 ( -2.175 -1.102 0.000) 2.438 21.496 ( 1.223 2.249 0.000) 2.560 21.515 ( -1.053 0.547 0.000) 1.187 23.223 ( -2.001 1.451 0.000) 2.471 23.224 ( 1.994 1.391 0.000) 2.431 ======================= Grid point 27 (11/55) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.000 0.000 0.000) 0.000 1.156 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 3.039 ( -0.000 0.000 0.000) 0.000 3.039 ( -0.000 0.000 0.000) 0.000 3.280 ( -0.000 -0.000 0.000) 0.000 3.280 ( -0.000 -0.000 0.000) 0.000 3.288 ( -0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 -0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 8.128 ( 0.000 -0.000 0.000) 0.000 8.128 ( -0.000 -0.000 0.000) 0.000 8.129 ( -0.000 0.000 0.000) 0.000 8.129 ( -0.000 0.000 0.000) 0.000 8.226 ( 0.000 0.000 0.000) 0.000 8.226 ( 0.000 0.000 0.000) 0.000 8.783 ( 0.000 -0.000 0.000) 0.000 8.783 ( 0.000 0.000 0.000) 0.000 8.820 ( 0.000 0.000 0.000) 0.000 8.820 ( 0.000 0.000 0.000) 0.000 8.985 ( 0.000 0.000 0.000) 0.000 8.985 ( 0.000 0.000 0.000) 0.000 9.250 ( 0.000 0.000 0.000) 0.000 9.250 ( 0.000 -0.000 0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 10.043 ( 0.000 0.000 0.000) 0.000 10.043 ( 0.000 0.000 0.000) 0.000 10.265 ( 0.000 0.000 0.000) 0.000 10.265 ( 0.000 0.000 0.000) 0.000 10.771 ( -0.000 0.000 0.000) 0.000 10.771 ( -0.000 0.000 0.000) 0.000 10.937 ( -0.000 0.000 0.000) 0.000 10.937 ( 0.000 0.000 0.000) 0.000 11.298 ( 0.000 0.000 0.000) 0.000 11.298 ( 0.000 0.000 0.000) 0.000 11.364 ( 0.000 0.000 0.000) 0.000 11.364 ( 0.000 0.000 0.000) 0.000 11.391 ( 0.000 0.000 0.000) 0.000 11.391 ( 0.000 0.000 0.000) 0.000 12.427 ( 0.000 0.000 0.000) 0.000 12.427 ( 0.000 0.000 0.000) 0.000 12.885 ( 0.000 0.000 0.000) 0.000 12.885 ( 0.000 0.000 0.000) 0.000 13.764 ( 0.000 0.000 0.000) 0.000 13.764 ( 0.000 0.000 0.000) 0.000 15.168 ( 0.000 0.000 0.000) 0.000 15.168 ( 0.000 0.000 0.000) 0.000 15.604 ( 0.000 0.000 0.000) 0.000 15.604 ( 0.000 0.000 0.000) 0.000 16.732 ( 0.000 0.000 0.000) 0.000 16.732 ( 0.000 0.000 0.000) 0.000 17.392 ( 0.000 0.000 0.000) 0.000 17.392 ( 0.000 0.000 0.000) 0.000 18.202 ( 0.000 0.000 0.000) 0.000 18.202 ( 0.000 0.000 0.000) 0.000 18.554 ( -0.000 0.000 0.000) 0.000 18.554 ( 0.000 0.000 0.000) 0.000 18.563 ( -0.000 -0.000 0.000) 0.000 18.563 ( -0.000 -0.000 0.000) 0.000 20.430 ( 0.000 0.000 0.000) 0.000 20.430 ( 0.000 0.000 0.000) 0.000 20.853 ( 0.000 0.000 0.000) 0.000 20.853 ( 0.000 0.000 0.000) 0.000 21.514 ( 0.000 0.000 0.000) 0.000 21.514 ( 0.000 0.000 0.000) 0.000 23.239 ( 0.000 0.000 0.000) 0.000 23.239 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 49 (12/55) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.000 0.000 30.312) 30.312 0.610 ( 0.000 -0.000 30.312) 30.312 1.042 ( 0.000 0.000 50.311) 50.311 1.984 ( 0.000 0.000 2.937) 2.937 1.984 ( 0.000 0.000 2.937) 2.937 2.816 ( -0.000 0.000 5.144) 5.144 2.868 ( 0.000 -0.000 -3.937) 3.937 2.868 ( 0.000 0.000 -3.937) 3.937 3.451 ( 0.000 0.000 -1.986) 1.986 3.451 ( -0.000 0.000 -1.986) 1.986 3.526 ( 0.000 -0.000 1.561) 1.561 3.649 ( 0.000 0.000 -2.117) 2.117 3.740 ( 0.000 0.000 0.824) 0.824 3.844 ( 0.000 0.000 3.847) 3.847 3.844 ( 0.000 0.000 3.847) 3.847 3.957 ( 0.000 0.000 12.074) 12.074 4.178 ( 0.000 -0.000 -7.954) 7.954 4.178 ( 0.000 0.000 -7.954) 7.954 4.358 ( 0.000 0.000 2.041) 2.041 4.574 ( 0.000 0.000 5.116) 5.116 4.574 ( 0.000 0.000 5.116) 5.116 4.837 ( -0.000 0.000 5.878) 5.878 4.925 ( -0.000 0.000 -1.794) 1.794 4.925 ( 0.000 0.000 -1.794) 1.794 5.165 ( 0.000 0.000 -1.939) 1.939 5.284 ( -0.000 0.000 -3.894) 3.894 5.284 ( 0.000 -0.000 -3.894) 3.894 5.477 ( 0.000 0.000 3.555) 3.555 5.477 ( 0.000 -0.000 3.555) 3.555 5.653 ( -0.000 0.000 -20.925) 20.925 6.454 ( 0.000 0.000 14.266) 14.266 6.662 ( -0.000 0.000 -3.753) 3.753 6.674 ( 0.000 0.000 0.426) 0.426 6.989 ( 0.000 0.000 -0.792) 0.792 7.466 ( -0.000 0.000 -4.203) 4.203 7.715 ( 0.000 0.000 -1.249) 1.249 7.715 ( 0.000 0.000 -1.249) 1.249 7.933 ( 0.000 -0.000 -12.249) 12.249 7.983 ( 0.000 0.000 -4.123) 4.123 7.983 ( 0.000 0.000 -4.123) 4.123 8.004 ( 0.000 -0.000 -2.060) 2.060 8.353 ( 0.000 0.000 -2.102) 2.102 8.429 ( -0.000 0.000 -0.047) 0.047 8.469 ( -0.000 -0.000 2.964) 2.964 8.469 ( -0.000 0.000 2.964) 2.964 8.522 ( 0.000 -0.000 2.948) 2.948 8.542 ( 0.000 -0.000 5.107) 5.107 8.542 ( 0.000 0.000 5.107) 5.107 8.708 ( 0.000 0.000 2.457) 2.457 8.708 ( 0.000 0.000 2.457) 2.457 8.806 ( -0.000 0.000 -2.881) 2.881 8.808 ( 0.000 0.000 -1.058) 1.058 8.958 ( -0.000 0.000 0.468) 0.468 9.351 ( 0.000 -0.000 -1.786) 1.786 9.656 ( 0.000 0.000 0.076) 0.076 9.656 ( -0.000 0.000 0.076) 0.076 10.031 ( 0.000 0.000 4.964) 4.964 10.031 ( 0.000 0.000 -5.018) 5.018 10.031 ( -0.000 0.000 -5.018) 5.018 10.134 ( 0.000 0.000 9.259) 9.259 10.234 ( 0.000 0.000 -0.025) 0.025 10.234 ( -0.000 0.000 -0.025) 0.025 11.488 ( 0.000 0.000 -3.907) 3.907 11.496 ( -0.000 0.000 18.429) 18.429 11.868 ( 0.000 -0.000 -5.887) 5.887 12.428 ( 0.000 0.000 2.892) 2.892 12.428 ( 0.000 -0.000 2.892) 2.892 13.022 ( 0.000 0.000 0.712) 0.712 13.025 ( -0.000 0.000 -1.605) 1.605 13.025 ( 0.000 0.000 -1.605) 1.605 13.375 ( -0.000 0.000 -2.829) 2.829 13.713 ( -0.000 0.000 11.251) 11.251 13.786 ( 0.000 0.000 -1.653) 1.653 13.864 ( 0.000 0.000 -1.603) 1.603 13.864 ( -0.000 0.000 -1.603) 1.603 14.191 ( 0.000 0.000 0.644) 0.644 14.191 ( 0.000 0.000 0.644) 0.644 14.751 ( 0.000 -0.000 1.959) 1.959 16.719 ( -0.000 0.000 -8.173) 8.173 16.875 ( 0.000 0.000 -10.070) 10.070 17.687 ( 0.000 -0.000 5.800) 5.800 17.804 ( 0.000 0.000 3.923) 3.923 17.804 ( 0.000 -0.000 3.923) 3.923 17.933 ( 0.000 0.000 3.652) 3.652 18.248 ( -0.000 0.000 11.004) 11.004 18.248 ( 0.000 0.000 11.004) 11.004 19.155 ( 0.000 0.000 -3.693) 3.693 19.155 ( 0.000 0.000 -3.693) 3.693 19.328 ( 0.000 0.000 -4.206) 4.206 19.826 ( 0.000 0.000 -3.576) 3.576 20.541 ( 0.000 0.000 7.741) 7.741 21.210 ( -0.000 0.000 -8.584) 8.584 21.210 ( 0.000 0.000 -8.584) 8.584 21.758 ( 0.000 0.000 -1.231) 1.231 22.899 ( 0.000 0.000 -5.476) 5.476 23.241 ( 0.000 -0.000 -1.948) 1.948 ======================= Grid point 50 (13/55) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 12.455 -4.063 24.489) 27.773 0.760 ( 16.196 1.318 19.861) 25.661 1.424 ( 28.777 0.907 31.826) 42.916 1.956 ( -3.324 -2.859 3.881) 5.855 2.067 ( 7.948 3.015 3.383) 9.149 2.676 ( -12.441 -0.116 3.879) 13.033 2.854 ( -0.992 -0.809 -4.208) 4.398 2.960 ( 5.536 0.090 -0.556) 5.565 3.201 ( -14.567 6.231 -1.630) 15.927 3.316 ( -8.066 -7.845 -1.324) 11.330 3.362 ( -10.316 5.351 9.087) 14.752 3.535 ( -2.441 -3.962 5.766) 7.410 3.694 ( -8.479 1.917 5.259) 10.160 3.820 ( -1.392 -7.237 3.136) 8.010 3.923 ( 0.215 6.013 0.819) 6.072 3.986 ( 8.562 0.786 0.835) 8.638 4.147 ( -2.550 -0.586 -4.212) 4.959 4.266 ( 4.268 -1.874 -5.000) 6.836 4.342 ( -2.532 10.640 -0.133) 10.937 4.424 ( 2.491 -11.416 2.538) 11.957 4.623 ( 3.779 0.980 6.117) 7.257 4.868 ( -1.018 -1.267 -0.858) 1.838 4.918 ( -2.719 -1.939 -2.958) 4.461 5.070 ( 5.647 -0.383 4.464) 7.209 5.131 ( 1.975 -0.325 0.449) 2.052 5.302 ( -2.629 10.963 -1.493) 11.373 5.361 ( 5.200 -2.000 -1.279) 5.716 5.483 ( 2.617 -2.298 2.812) 4.476 5.670 ( 1.768 -1.116 -17.317) 17.443 5.964 ( 15.680 -1.375 -18.603) 24.368 6.442 ( -1.514 1.531 12.544) 12.728 6.593 ( -6.685 -0.085 -2.964) 7.313 6.691 ( 2.472 -0.179 0.116) 2.481 7.038 ( 4.916 0.154 -1.885) 5.268 7.325 ( -11.939 -0.180 -2.274) 12.155 7.633 ( -15.447 0.378 -4.728) 16.159 7.674 ( -5.275 -1.673 -1.563) 5.751 7.785 ( 1.088 2.041 -3.049) 3.827 7.875 ( -8.123 0.624 -2.946) 8.663 8.057 ( 3.201 -3.758 -1.775) 5.246 8.150 ( 4.963 2.149 -0.502) 5.431 8.227 ( -5.634 -0.099 -3.259) 6.510 8.344 ( -3.891 0.068 -1.886) 4.325 8.449 ( -2.098 -0.555 3.962) 4.517 8.529 ( 2.802 -0.606 2.376) 3.723 8.556 ( 3.986 6.057 0.229) 7.255 8.638 ( 5.435 -3.891 -3.266) 7.440 8.726 ( 9.393 -2.210 -0.520) 9.664 8.746 ( 1.770 1.920 -3.451) 4.328 8.794 ( 1.662 -0.694 -2.279) 2.905 8.881 ( 6.071 1.634 -0.641) 6.320 8.929 ( 2.447 -1.418 1.341) 3.130 9.024 ( 17.370 -0.435 -3.503) 17.725 9.325 ( -0.710 0.349 -0.265) 0.834 9.663 ( 0.486 1.221 0.738) 1.508 9.786 ( -0.615 0.850 10.701) 10.753 9.870 ( 7.023 -0.784 0.507) 7.085 9.974 ( -3.660 -0.523 4.007) 5.452 10.085 ( 4.387 -1.162 0.795) 4.607 10.210 ( 12.610 -1.870 -2.065) 12.914 10.327 ( 9.197 0.386 1.247) 9.289 10.771 ( 22.503 1.529 -19.008) 29.496 11.458 ( -2.771 -0.089 -2.922) 4.028 11.497 ( 0.257 0.244 17.766) 17.770 11.796 ( -7.053 0.276 -5.482) 8.937 12.157 ( -16.113 4.932 25.322) 30.416 12.306 ( -11.171 -9.246 2.899) 14.788 12.547 ( -26.757 0.332 1.362) 26.793 12.948 ( -5.532 -0.299 -2.526) 6.089 13.195 ( -15.317 -4.004 4.174) 16.372 13.322 ( 11.712 -0.597 -3.160) 12.145 13.490 ( 2.777 16.164 4.719) 17.067 13.790 ( 0.714 9.452 -1.625) 9.617 13.813 ( -4.257 -6.851 0.120) 8.067 14.004 ( 11.485 7.555 -0.532) 13.757 14.240 ( 4.417 -22.034 0.958) 22.493 14.844 ( 8.329 -0.644 0.353) 8.362 14.977 ( 22.869 5.301 -21.377) 31.750 16.663 ( -1.618 -0.012 -6.773) 6.964 16.846 ( -2.783 -0.150 -10.477) 10.842 17.675 ( -1.053 -0.160 6.251) 6.341 17.775 ( -2.480 0.728 4.243) 4.968 17.965 ( 2.788 -0.613 4.211) 5.088 18.222 ( -0.599 -1.347 8.059) 8.193 18.249 ( 1.568 1.246 8.670) 8.898 18.601 ( 19.486 -3.790 -17.482) 26.452 19.040 ( -5.759 12.055 -4.249) 14.020 19.296 ( -3.218 0.041 -3.890) 5.049 19.501 ( 39.619 -10.931 -43.145) 59.587 20.011 ( 14.922 2.660 -4.695) 15.868 20.579 ( 3.450 0.064 4.694) 5.826 21.123 ( -7.954 2.449 -7.721) 11.352 21.196 ( -0.892 -2.513 -8.975) 9.363 21.680 ( -7.167 0.147 0.729) 7.206 22.937 ( 4.013 0.023 -4.071) 5.717 23.236 ( -0.599 -0.007 -2.040) 2.126 ======================= Grid point 51 (14/55) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 18.091 -6.568 16.298) 25.220 1.171 ( 22.918 2.293 9.222) 24.809 1.808 ( -7.716 2.687 4.762) 9.457 1.896 ( 9.238 -5.035 8.435) 13.485 2.251 ( 6.487 3.090 4.364) 8.407 2.366 ( -13.742 1.198 7.955) 15.924 2.850 ( 0.750 -1.323 -5.438) 5.647 2.921 ( -6.084 1.368 -3.609) 7.205 3.164 ( 7.180 3.916 -0.113) 8.180 3.200 ( -4.072 -3.653 -1.236) 5.608 3.256 ( -0.799 3.315 9.815) 10.390 3.429 ( -6.756 -0.290 10.059) 12.121 3.606 ( -1.890 -5.287 -0.881) 5.684 3.717 ( -5.800 -3.458 3.907) 7.801 3.810 ( -3.564 8.508 3.785) 9.971 4.144 ( 8.163 -4.384 -3.774) 10.004 4.213 ( 4.476 -1.998 -0.173) 4.905 4.299 ( 0.180 3.663 -5.157) 6.328 4.343 ( -2.826 1.055 -4.053) 5.052 4.569 ( 5.380 -6.175 2.440) 8.546 4.643 ( -7.156 -3.999 4.397) 9.303 4.743 ( 0.846 4.725 5.626) 7.395 4.857 ( -2.619 -3.958 -0.844) 4.820 5.035 ( -7.278 4.818 2.059) 8.968 5.188 ( 5.143 0.626 2.448) 5.730 5.346 ( -0.045 4.737 -2.591) 5.399 5.473 ( 9.703 -0.014 -3.548) 10.332 5.622 ( 9.423 -3.397 -0.958) 10.062 5.699 ( 0.347 -1.054 -8.900) 8.969 6.052 ( -3.791 -0.104 -9.874) 10.577 6.398 ( -2.692 3.880 7.723) 9.053 6.446 ( -5.897 -1.339 -0.351) 6.057 6.771 ( 5.151 -0.623 -1.187) 5.322 7.075 ( -11.173 -0.186 -0.490) 11.185 7.174 ( 7.537 0.844 -2.877) 8.112 7.385 ( -7.606 -0.753 -2.995) 8.209 7.529 ( -8.703 -2.324 -0.892) 9.052 7.605 ( -12.137 1.556 -2.172) 12.428 7.897 ( 4.377 3.444 -0.305) 5.578 8.060 ( -2.385 -4.494 3.618) 6.243 8.172 ( -0.485 -0.102 -4.164) 4.194 8.201 ( -0.261 0.300 -0.593) 0.714 8.324 ( 2.068 2.247 -2.251) 3.794 8.418 ( -1.262 -1.085 2.848) 3.298 8.585 ( 2.583 1.206 0.385) 2.876 8.624 ( 2.300 1.598 -1.870) 3.367 8.723 ( 2.499 -2.811 -4.472) 5.843 8.731 ( 0.044 3.711 -1.311) 3.936 8.791 ( 1.049 -2.494 0.219) 2.714 8.847 ( -1.901 0.046 -0.693) 2.024 8.976 ( 6.682 -0.409 -8.157) 10.552 9.039 ( 4.544 -0.738 -6.169) 7.697 9.358 ( 12.436 0.160 0.014) 12.437 9.371 ( 7.866 0.563 3.871) 8.784 9.658 ( -2.080 2.658 2.469) 4.181 9.709 ( -3.739 -3.751 9.114) 10.541 9.907 ( -2.150 -1.432 5.109) 5.724 9.938 ( -1.908 3.951 3.382) 5.539 10.398 ( 20.572 -3.898 -2.279) 21.062 10.473 ( 14.554 -2.506 -1.400) 14.834 10.624 ( 19.183 1.234 1.126) 19.256 11.026 ( 4.589 2.556 -11.198) 12.368 11.388 ( -4.276 0.021 -2.077) 4.753 11.509 ( -0.237 0.289 15.881) 15.885 11.592 ( -12.299 0.784 -1.611) 12.429 11.883 ( -13.162 2.225 24.594) 27.983 12.047 ( -13.545 -4.113 1.250) 14.211 12.075 ( -17.050 -2.345 1.745) 17.299 12.831 ( -5.183 -0.569 -2.831) 5.933 12.938 ( -10.116 -0.175 2.104) 10.334 13.524 ( 8.806 -1.027 -3.520) 9.539 13.569 ( 4.155 17.347 3.007) 18.089 13.730 ( -3.520 -14.359 1.893) 14.905 13.781 ( -2.001 12.030 -3.047) 12.570 14.225 ( 9.440 13.684 0.582) 16.634 14.329 ( 3.546 -26.242 1.604) 26.529 15.018 ( 8.297 -3.051 -1.739) 9.010 15.175 ( 2.259 6.327 -8.957) 11.197 16.662 ( 1.246 -0.072 -9.377) 9.460 16.778 ( -3.822 -0.157 -11.082) 11.724 17.658 ( -0.373 -0.760 6.773) 6.826 17.719 ( -2.939 1.461 5.206) 6.154 18.031 ( 3.789 -1.235 5.512) 6.801 18.179 ( -3.060 0.594 8.586) 9.134 18.300 ( 3.656 0.099 6.267) 7.256 18.569 ( -9.382 -4.080 0.332) 10.236 19.029 ( 2.644 8.624 -3.114) 9.542 19.209 ( -5.248 -1.092 -3.228) 6.258 20.157 ( 21.796 -13.389 -37.338) 45.260 20.303 ( 12.638 8.471 -6.105) 16.393 20.650 ( 3.290 0.833 -7.551) 8.279 20.934 ( -10.417 2.218 -8.826) 13.832 21.207 ( 2.792 -2.039 -7.113) 7.909 21.506 ( -9.823 0.326 0.977) 9.877 23.042 ( 5.940 0.075 -3.252) 6.772 23.211 ( -2.082 -0.037 -2.312) 3.111 ======================= Grid point 52 (15/55) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 11.664 -10.165 10.754) 18.842 1.395 ( -11.664 10.165 10.754) 18.842 1.757 ( -10.248 3.225 3.552) 11.315 1.757 ( 10.248 -3.225 3.552) 11.315 2.288 ( 4.591 -7.030 4.520) 9.536 2.288 ( -4.591 7.030 4.520) 9.536 2.876 ( 0.570 -7.573 -6.570) 10.042 2.876 ( -0.570 7.573 -6.570) 10.042 3.175 ( 0.631 -7.287 0.258) 7.319 3.175 ( -0.631 7.287 0.258) 7.319 3.324 ( 1.135 -3.762 11.294) 11.958 3.324 ( -1.135 3.762 11.294) 11.958 3.620 ( 0.752 -5.940 -2.369) 6.439 3.620 ( -0.752 5.940 -2.369) 6.439 4.001 ( -19.435 -1.722 8.759) 21.387 4.001 ( 19.435 1.722 8.759) 21.387 4.271 ( -0.107 -7.036 -5.106) 8.694 4.271 ( 0.107 7.036 -5.106) 8.694 4.396 ( 3.119 -7.631 -0.806) 8.283 4.396 ( -3.119 7.631 -0.806) 8.283 4.776 ( -6.292 -2.152 0.853) 6.704 4.776 ( 6.292 2.152 0.853) 6.704 4.860 ( 7.762 -5.288 4.514) 10.421 4.860 ( -7.762 5.288 4.514) 10.421 5.295 ( 4.095 -5.240 -0.851) 6.704 5.295 ( -4.095 5.240 -0.851) 6.704 5.639 ( -5.527 -0.040 -4.694) 7.251 5.639 ( 5.527 0.040 -4.694) 7.251 5.861 ( -9.387 -0.218 -5.626) 10.946 5.861 ( 9.387 0.218 -5.626) 10.946 6.382 ( -1.539 -2.952 3.285) 4.677 6.382 ( 1.539 2.952 3.285) 4.677 6.890 ( -5.971 -0.749 -1.102) 6.117 6.890 ( 5.971 0.749 -1.102) 6.117 7.324 ( -4.476 -3.139 -3.141) 6.305 7.324 ( 4.476 3.139 -3.141) 6.305 7.416 ( 2.360 -2.172 -0.806) 3.307 7.416 ( -2.360 2.172 -0.806) 3.307 7.987 ( -4.462 -4.263 2.907) 6.822 7.987 ( 4.462 4.263 2.907) 6.822 8.181 ( -0.897 0.124 -3.036) 3.168 8.181 ( 0.897 -0.124 -3.036) 3.168 8.381 ( -1.854 -3.492 1.084) 4.099 8.381 ( 1.854 3.492 1.084) 4.099 8.626 ( -1.143 -2.329 -2.254) 3.437 8.626 ( 1.143 2.329 -2.254) 3.437 8.747 ( -0.579 -3.512 -2.364) 4.273 8.747 ( 0.579 3.512 -2.364) 4.273 8.808 ( 1.275 -3.060 0.466) 3.348 8.808 ( -1.275 3.060 0.466) 3.348 9.062 ( -0.256 -0.850 -10.189) 10.227 9.062 ( 0.256 0.850 -10.189) 10.227 9.501 ( -4.855 2.297 5.708) 7.838 9.501 ( 4.855 -2.297 5.708) 7.838 9.630 ( -4.329 0.013 1.396) 4.549 9.630 ( 4.329 -0.013 1.396) 4.549 9.897 ( 0.665 -4.135 7.168) 8.302 9.897 ( -0.665 4.135 7.168) 8.302 10.670 ( -2.868 -2.958 -1.830) 4.509 10.670 ( 2.868 2.958 -1.830) 4.509 10.956 ( -10.086 0.492 -3.091) 10.561 10.956 ( 10.086 -0.492 -3.091) 10.561 11.334 ( -3.073 0.690 -1.848) 3.651 11.334 ( 3.073 -0.690 -1.848) 3.651 11.635 ( -9.807 -0.095 20.253) 22.503 11.635 ( 9.807 0.095 20.253) 22.503 11.905 ( -0.786 -2.815 -0.039) 2.923 11.905 ( 0.786 2.815 -0.039) 2.923 12.804 ( -1.868 -1.844 0.020) 2.625 12.804 ( 1.868 1.844 0.020) 2.625 13.627 ( -0.896 -6.252 2.436) 6.769 13.627 ( 0.896 6.252 2.436) 6.769 13.714 ( 2.533 -17.216 -3.265) 17.705 13.714 ( -2.533 17.216 -3.265) 17.705 14.345 ( -2.304 -21.945 1.522) 22.118 14.345 ( 2.304 21.945 1.522) 22.118 15.147 ( 4.345 -5.565 -4.309) 8.272 15.147 ( -4.345 5.565 -4.309) 8.272 16.706 ( -2.808 -0.348 -10.903) 11.264 16.706 ( 2.808 0.348 -10.903) 11.264 17.670 ( 0.665 -1.813 6.342) 6.630 17.670 ( -0.665 1.813 6.342) 6.630 18.109 ( -1.189 -1.606 7.107) 7.382 18.109 ( 1.189 1.606 7.107) 7.382 18.402 ( -6.247 -1.873 3.754) 7.525 18.402 ( 6.247 1.873 3.754) 7.525 19.106 ( -4.841 -3.715 -2.634) 6.647 19.106 ( 4.841 3.715 -2.634) 6.647 20.409 ( 3.871 -9.017 -12.796) 16.125 20.409 ( -3.871 9.017 -12.796) 16.125 20.743 ( -2.431 -13.565 -15.024) 20.388 20.743 ( 2.431 13.565 -15.024) 20.388 21.320 ( -3.953 -5.634 -1.827) 7.121 21.320 ( 3.953 5.634 -1.827) 7.121 23.148 ( -4.413 -0.074 -2.706) 5.177 23.148 ( 4.413 0.074 -2.706) 5.177 ======================= Grid point 57 (16/55) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 10.978 15.331 14.582) 23.836 0.912 ( 10.250 11.531 16.992) 22.951 1.643 ( 17.369 15.547 19.567) 30.435 1.960 ( -0.625 5.187 9.543) 10.879 2.144 ( 10.253 4.221 1.925) 11.254 2.612 ( -7.106 -7.633 3.510) 11.004 2.788 ( -5.395 -3.126 -1.860) 6.507 2.963 ( -4.089 -2.922 -0.661) 5.069 3.103 ( 0.576 -7.546 3.478) 8.329 3.151 ( -6.648 -9.008 -1.580) 11.306 3.378 ( -5.613 -4.401 8.630) 11.196 3.495 ( -7.262 1.315 1.620) 7.556 3.674 ( -3.165 -3.967 3.056) 5.924 3.792 ( -10.305 -1.224 2.884) 10.770 3.885 ( 4.590 -11.003 0.849) 11.952 4.020 ( 3.124 6.732 -2.641) 7.878 4.105 ( -5.386 1.730 -0.470) 5.676 4.223 ( 6.500 -3.298 2.140) 7.597 4.375 ( 4.497 6.665 -4.494) 9.212 4.555 ( -2.567 7.728 1.637) 8.307 4.585 ( 4.159 0.005 2.472) 4.838 4.907 ( -3.100 2.421 -2.926) 4.902 4.933 ( 1.356 1.145 0.149) 1.782 5.020 ( -5.865 -4.852 3.421) 8.345 5.198 ( 5.365 -0.107 1.507) 5.573 5.298 ( 10.214 3.130 -1.285) 10.760 5.482 ( 5.813 5.005 -0.028) 7.671 5.511 ( 1.957 2.785 -0.973) 3.540 5.716 ( 1.726 4.213 -12.030) 12.863 5.974 ( 0.108 2.941 -14.096) 14.400 6.428 ( -0.504 -4.234 10.066) 10.932 6.538 ( -5.203 -5.119 -1.114) 7.384 6.680 ( -0.545 0.074 -0.704) 0.893 7.086 ( 4.793 4.388 -2.635) 7.012 7.209 ( -10.645 -10.221 -1.053) 14.795 7.484 ( -11.453 -11.605 -3.206) 16.617 7.636 ( -6.203 -2.517 -1.395) 6.838 7.731 ( -6.482 -9.138 -0.716) 11.226 7.864 ( 3.398 0.011 -3.394) 4.803 8.080 ( -1.255 5.118 -2.706) 5.923 8.162 ( -2.097 -2.187 -1.589) 3.421 8.185 ( 1.716 -0.488 0.230) 1.799 8.275 ( -3.150 -4.866 -2.288) 6.232 8.441 ( -2.291 -0.865 5.309) 5.846 8.578 ( 4.431 4.639 -0.864) 6.473 8.592 ( 4.333 0.563 -2.471) 5.020 8.691 ( 2.762 -0.256 -2.649) 3.835 8.756 ( 1.013 6.947 0.366) 7.030 8.766 ( 0.789 -0.541 -1.379) 1.679 8.890 ( 6.852 7.481 -6.930) 12.286 8.904 ( 1.983 1.263 0.089) 2.353 9.010 ( 5.847 6.569 -3.711) 9.545 9.171 ( 13.287 14.756 -0.685) 19.869 9.335 ( 2.490 1.439 1.975) 3.489 9.735 ( -2.850 1.026 11.021) 11.430 9.797 ( 11.052 0.276 2.339) 11.300 9.921 ( 5.172 7.335 0.179) 8.976 9.952 ( -2.018 -0.659 3.869) 4.413 10.209 ( 0.299 12.282 1.152) 12.340 10.244 ( 10.545 8.009 -2.867) 13.548 10.354 ( 5.686 3.331 0.822) 6.641 10.933 ( 12.521 9.683 -17.149) 23.337 11.436 ( -1.955 -1.927 -1.744) 3.252 11.498 ( 0.318 -0.183 16.213) 16.217 11.738 ( -5.288 -6.094 -4.942) 9.462 11.985 ( -9.464 -11.785 20.640) 25.582 12.294 ( -20.219 -21.351 1.261) 29.432 12.363 ( -13.952 1.803 4.839) 14.877 12.943 ( -5.246 -4.184 -4.400) 8.024 13.033 ( -7.441 -10.189 5.329) 13.696 13.183 ( -1.612 -17.698 6.639) 18.971 13.453 ( 8.797 -0.738 3.461) 9.482 13.624 ( -11.186 -6.513 0.457) 12.952 13.685 ( -2.671 3.650 0.676) 4.573 14.224 ( 18.813 10.531 -1.388) 21.605 14.647 ( 1.596 24.474 -3.885) 24.832 14.937 ( 7.046 9.296 -0.157) 11.666 15.099 ( 16.875 4.215 -17.790) 24.880 16.650 ( -0.843 -0.780 -7.919) 8.002 16.821 ( -2.766 -2.479 -10.713) 11.338 17.654 ( -2.089 -1.638 6.231) 6.773 17.735 ( -2.249 -3.668 5.915) 7.314 17.981 ( 1.804 3.104 3.684) 5.144 18.225 ( -0.106 0.236 7.986) 7.991 18.259 ( 0.907 0.361 9.078) 9.130 18.675 ( -4.313 6.862 -7.534) 11.066 18.987 ( 4.804 -16.874 -2.777) 17.763 19.251 ( -4.386 -3.926 -3.924) 7.075 19.679 ( 11.347 25.047 -38.660) 47.441 20.247 ( 19.226 15.977 -15.890) 29.621 20.596 ( 1.352 1.185 1.552) 2.375 21.043 ( -4.760 -8.296 -5.437) 11.002 21.200 ( -1.451 1.974 -10.279) 10.567 21.637 ( -4.250 -4.570 -0.107) 6.242 22.976 ( 3.873 3.807 -3.668) 6.553 23.233 ( -0.345 -0.321 -2.143) 2.194 ======================= Grid point 58 (17/55) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 9.009 4.894 13.645) 17.067 1.266 ( 22.807 6.431 6.059) 24.458 1.737 ( -6.857 -3.833 3.823) 8.736 2.073 ( 6.162 15.310 5.001) 17.244 2.321 ( -7.382 3.779 0.515) 8.309 2.448 ( 4.444 5.233 8.700) 11.082 2.703 ( -1.764 -8.446 -0.765) 8.662 2.910 ( 0.331 -5.373 0.763) 5.437 3.053 ( -2.696 -4.763 -3.110) 6.295 3.207 ( 2.061 -8.504 9.011) 12.560 3.233 ( -4.252 -2.684 2.361) 5.555 3.378 ( -3.089 -2.545 7.803) 8.770 3.592 ( -6.004 3.303 -1.583) 7.033 3.635 ( 1.180 -2.877 2.686) 4.110 3.857 ( -7.324 -4.531 5.515) 10.226 4.087 ( 4.719 -7.621 -5.131) 10.329 4.098 ( 4.148 0.068 -4.434) 6.072 4.396 ( -4.831 2.719 2.646) 6.143 4.412 ( -1.312 3.960 0.884) 4.265 4.486 ( 8.005 1.663 1.077) 8.247 4.629 ( -2.680 2.117 -1.643) 3.790 4.845 ( -3.084 3.254 0.799) 4.554 4.859 ( -0.406 3.321 6.624) 7.421 5.023 ( 0.513 -0.360 -3.065) 3.129 5.294 ( 2.855 6.946 2.769) 8.005 5.461 ( 5.238 -1.460 -3.736) 6.597 5.541 ( 4.700 9.458 -3.196) 11.034 5.622 ( 5.821 3.900 -1.835) 7.243 5.700 ( -2.185 2.819 -4.529) 5.764 6.001 ( 1.271 -4.822 -7.623) 9.109 6.370 ( -5.339 -5.523 1.252) 7.783 6.427 ( -4.645 -1.795 5.198) 7.198 6.697 ( 2.186 -5.887 -2.463) 6.746 6.973 ( -11.370 -9.210 1.489) 14.708 7.214 ( 7.420 2.761 -3.362) 8.601 7.290 ( -6.113 -6.618 -1.480) 9.130 7.497 ( -7.136 -0.716 -1.008) 7.242 7.545 ( -10.257 -7.503 -0.631) 12.724 7.966 ( 5.483 1.938 -1.295) 5.958 8.038 ( -3.037 2.902 1.495) 4.458 8.135 ( -0.141 -2.895 -4.438) 5.300 8.187 ( -1.585 -1.437 -0.729) 2.260 8.275 ( 1.856 -3.942 -2.066) 4.822 8.395 ( -1.678 -1.553 4.768) 5.288 8.648 ( 1.955 2.327 -0.599) 3.098 8.678 ( 4.112 1.416 -5.357) 6.900 8.708 ( -0.327 1.618 -3.586) 3.947 8.768 ( 0.442 2.586 -0.939) 2.787 8.806 ( 1.948 3.670 -0.716) 4.217 8.909 ( -0.553 3.204 -0.326) 3.267 9.009 ( 4.869 3.585 -8.174) 10.168 9.107 ( 2.611 5.369 -7.923) 9.921 9.438 ( 7.174 6.669 6.631) 11.828 9.469 ( 15.536 10.791 1.967) 19.018 9.684 ( -2.847 1.239 10.824) 11.261 9.847 ( -2.132 10.936 2.135) 11.345 9.897 ( -2.728 3.816 4.088) 6.223 10.087 ( -0.917 9.438 2.104) 9.713 10.329 ( 19.052 -0.888 -0.054) 19.073 10.456 ( 11.292 1.461 -1.854) 11.536 10.638 ( 19.180 0.892 -0.354) 19.204 11.112 ( 4.297 4.418 -9.976) 11.726 11.385 ( -3.730 -0.151 -1.430) 3.998 11.502 ( -1.941 -1.456 12.496) 12.729 11.579 ( -9.645 -1.982 0.109) 9.847 11.793 ( -9.339 -11.753 15.070) 21.271 11.898 ( -14.709 -14.171 0.261) 20.427 11.962 ( -21.047 -3.820 9.275) 23.315 12.832 ( -3.755 -0.176 -3.256) 4.973 12.928 ( -6.424 -1.365 1.057) 6.652 13.265 ( 7.161 -28.248 5.774) 29.708 13.359 ( -12.314 -17.362 5.550) 21.998 13.633 ( 7.004 -0.704 2.590) 7.501 13.715 ( 2.541 -0.713 -1.278) 2.932 14.582 ( 7.841 22.061 -3.766) 23.714 14.601 ( 5.406 22.998 -3.980) 23.958 15.070 ( 5.243 8.761 -1.383) 10.303 15.317 ( 4.504 7.095 -7.575) 11.314 16.644 ( 0.541 -1.538 -10.218) 10.347 16.751 ( -3.833 -2.435 -10.946) 11.851 17.611 ( -1.852 -3.861 6.354) 7.662 17.696 ( -1.764 -3.278 7.390) 8.274 18.034 ( 3.290 2.250 4.795) 6.235 18.218 ( -1.327 3.092 6.829) 7.613 18.293 ( 3.546 -0.933 6.692) 7.631 18.534 ( -7.870 0.722 0.451) 7.916 19.027 ( 0.767 -9.982 -0.980) 10.059 19.127 ( -7.845 -6.725 -3.162) 10.806 19.989 ( 17.116 0.448 -27.745) 32.602 20.536 ( 8.812 11.087 -8.370) 16.451 20.588 ( -3.545 -4.930 -8.454) 10.409 20.974 ( -1.312 -0.966 -5.454) 5.693 21.190 ( 1.184 2.785 -9.623) 10.087 21.520 ( -6.917 -0.204 -2.789) 7.461 23.072 ( 5.263 2.729 -3.156) 6.716 23.216 ( -1.658 0.365 -2.382) 2.926 ======================= Grid point 59 (18/55) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 8.292 -5.546 12.556) 16.037 1.487 ( -14.014 -4.129 8.254) 16.780 1.762 ( 23.292 9.082 0.672) 25.009 1.922 ( -16.098 8.746 -0.232) 18.322 2.259 ( 4.647 3.612 -0.517) 5.909 2.498 ( -5.189 11.981 5.544) 14.184 2.719 ( 2.379 -5.805 -2.265) 6.670 2.924 ( -0.119 -6.934 -0.606) 6.961 3.029 ( -2.300 -1.229 -1.349) 2.936 3.165 ( 0.597 -5.141 4.902) 7.129 3.200 ( -2.603 -10.223 6.739) 12.518 3.363 ( 2.839 -4.163 8.104) 9.543 3.536 ( -0.601 3.458 -4.069) 5.374 3.608 ( -6.013 -3.098 2.781) 7.314 3.995 ( 17.155 -5.683 8.133) 19.818 4.024 ( -10.489 -2.290 3.684) 11.350 4.187 ( 6.090 -3.514 -3.319) 7.775 4.241 ( -1.115 -3.174 -3.310) 4.720 4.458 ( -0.521 10.450 -1.233) 10.535 4.496 ( -4.917 2.957 0.533) 5.762 4.694 ( 9.436 -3.627 1.579) 10.232 4.763 ( -5.255 2.411 2.718) 6.389 4.911 ( 0.727 6.203 0.254) 6.251 4.969 ( -3.480 3.803 2.972) 5.950 5.347 ( 3.467 9.892 0.558) 10.497 5.446 ( -7.466 6.370 -3.408) 10.389 5.616 ( 1.449 -1.075 -5.225) 5.528 5.673 ( 0.504 3.168 -3.067) 4.439 5.795 ( 8.585 -1.472 -4.564) 9.833 5.940 ( -5.918 2.040 -2.215) 6.641 6.283 ( -2.163 -5.948 1.347) 6.471 6.381 ( 0.018 -2.833 3.180) 4.259 6.756 ( 1.135 -9.700 -0.562) 9.782 6.820 ( -0.424 -8.481 0.572) 8.511 7.267 ( 1.035 -2.969 -2.966) 4.323 7.336 ( 2.879 -3.590 -2.665) 5.319 7.352 ( -5.731 -3.169 -0.649) 6.581 7.436 ( 2.720 1.726 0.121) 3.224 7.960 ( -4.137 1.866 1.020) 4.651 8.069 ( 4.516 1.784 1.041) 4.966 8.143 ( 0.930 -2.430 -3.794) 4.600 8.161 ( -0.856 -0.946 -2.356) 2.679 8.284 ( -1.812 -4.476 -0.638) 4.871 8.387 ( 0.980 -2.175 4.118) 4.759 8.656 ( -0.752 1.048 -5.095) 5.256 8.688 ( -1.308 3.335 -1.867) 4.040 8.742 ( 1.917 0.749 -2.927) 3.578 8.764 ( -1.453 3.933 -1.942) 4.620 8.837 ( 1.513 3.509 1.289) 4.033 8.891 ( -1.327 4.559 -0.788) 4.813 9.078 ( 2.111 2.084 -8.781) 9.269 9.118 ( -1.234 3.220 -10.122) 10.694 9.552 ( 1.136 6.420 7.106) 9.644 9.589 ( -4.314 7.401 7.835) 11.609 9.748 ( 7.451 10.186 1.298) 12.687 9.793 ( -0.602 12.973 2.947) 13.317 9.849 ( -1.123 0.882 5.540) 5.722 10.015 ( -4.312 8.369 5.424) 10.865 10.590 ( 0.551 -3.729 -2.312) 4.422 10.685 ( 5.601 -0.700 -0.394) 5.658 10.936 ( 7.271 0.161 -3.367) 8.014 11.052 ( -11.117 6.420 -2.811) 13.142 11.305 ( 0.583 -2.276 -1.811) 2.967 11.336 ( -1.998 -0.589 -1.471) 2.550 11.607 ( 3.046 -3.145 16.006) 16.594 11.616 ( -6.106 -2.711 16.967) 18.234 11.720 ( 1.459 -14.060 0.958) 14.168 11.807 ( 5.884 -11.590 1.115) 13.046 12.801 ( -0.553 1.034 -1.292) 1.745 12.856 ( 1.275 1.442 0.742) 2.063 13.138 ( -9.945 -24.822 7.950) 27.897 13.392 ( 5.332 -24.687 4.779) 25.704 13.679 ( -2.383 1.230 -2.572) 3.715 13.764 ( 1.724 -3.267 1.757) 4.091 14.510 ( -4.502 25.910 -3.291) 26.503 14.880 ( 11.349 23.912 -3.460) 26.694 15.117 ( -0.632 4.316 -3.306) 5.473 15.306 ( -4.925 9.708 -3.692) 11.495 16.667 ( 0.104 -3.050 -11.689) 12.081 16.695 ( 0.091 -1.796 -10.747) 10.896 17.595 ( 0.372 -5.374 6.276) 8.271 17.668 ( -0.817 -1.976 8.481) 8.747 18.097 ( 2.138 1.491 5.002) 5.640 18.176 ( -2.026 4.003 7.521) 8.757 18.368 ( -1.838 -0.580 1.682) 2.558 18.444 ( 5.043 1.705 5.057) 7.342 18.961 ( -8.261 -9.831 -3.127) 13.216 19.068 ( 3.417 -7.854 -1.448) 8.687 20.272 ( 7.957 -4.441 -16.691) 19.017 20.452 ( -6.493 -11.022 -19.880) 23.640 20.633 ( 1.632 10.206 -0.913) 10.376 20.952 ( -2.496 4.972 -5.863) 8.082 21.234 ( 1.516 0.066 -7.702) 7.850 21.426 ( -0.160 2.935 -5.393) 6.142 23.162 ( -3.773 1.411 -2.727) 4.864 23.164 ( 3.740 1.425 -2.697) 4.827 ======================= Grid point 61 (19/55) ======================= q-point: (-0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -14.083 2.754 12.220) 18.848 1.201 ( -15.123 5.043 11.674) 19.759 1.756 ( 0.390 -1.189 -1.892) 2.269 2.134 ( 4.522 15.263 4.499) 16.542 2.267 ( -10.333 5.036 5.562) 12.769 2.390 ( 6.752 2.739 5.750) 9.282 2.749 ( 1.240 -5.114 -2.429) 5.796 2.896 ( -0.302 -5.561 -1.246) 5.707 3.013 ( 3.549 -7.169 2.869) 8.498 3.097 ( -4.807 -5.717 5.966) 9.560 3.253 ( 6.335 -4.074 4.908) 8.989 3.506 ( 8.818 -10.473 6.167) 15.016 3.533 ( 1.264 6.338 -3.565) 7.381 3.631 ( 7.409 -3.048 2.360) 8.352 3.856 ( -4.322 1.223 4.996) 6.718 4.127 ( -0.003 -7.076 -0.832) 7.125 4.182 ( -7.155 -4.469 -4.754) 9.683 4.260 ( -4.796 6.173 -1.285) 7.923 4.421 ( 2.579 2.333 -1.071) 3.639 4.633 ( -4.238 -1.295 1.777) 4.775 4.698 ( 16.411 3.121 5.197) 17.495 4.732 ( -7.221 1.690 -1.314) 7.532 4.909 ( 5.270 -0.288 2.120) 5.688 4.969 ( -0.557 4.405 1.690) 4.751 5.267 ( -8.692 5.795 1.071) 10.501 5.420 ( 2.596 10.041 -1.482) 10.477 5.511 ( -9.373 3.029 -6.822) 11.982 5.650 ( -5.498 0.120 -1.086) 5.606 5.770 ( -2.807 5.615 -4.063) 7.478 5.997 ( 3.203 -5.883 -8.256) 10.631 6.314 ( 5.190 -3.655 4.312) 7.675 6.424 ( 4.736 -3.120 2.069) 6.037 6.708 ( -2.388 -6.360 0.131) 6.795 6.980 ( 11.625 -8.983 -0.162) 14.692 7.194 ( -5.890 2.920 -4.204) 7.803 7.315 ( 3.742 -6.216 -1.218) 7.357 7.501 ( 11.732 -7.281 -0.166) 13.809 7.553 ( 6.056 -1.621 -1.145) 6.373 7.890 ( -2.587 3.324 -1.538) 4.484 8.129 ( 0.740 -2.912 -3.038) 4.273 8.157 ( 0.770 3.159 2.010) 3.823 8.182 ( 2.635 -1.184 -3.057) 4.207 8.214 ( -3.752 -5.351 -0.859) 6.591 8.416 ( 1.511 -1.926 4.187) 4.850 8.627 ( -2.123 3.698 -2.887) 5.150 8.664 ( -1.792 0.289 -1.975) 2.683 8.701 ( -3.407 4.209 -3.687) 6.551 8.760 ( 0.113 2.425 -1.112) 2.670 8.853 ( -2.864 2.737 -0.530) 3.997 8.870 ( 1.724 1.826 2.317) 3.417 9.052 ( -5.420 4.059 -11.159) 13.053 9.093 ( -1.328 3.995 -7.559) 8.652 9.418 ( -7.700 6.278 6.803) 12.041 9.485 ( -12.948 12.030 0.075) 17.674 9.732 ( 0.475 3.730 11.929) 12.508 9.797 ( -0.939 7.738 4.122) 8.817 9.953 ( 3.280 5.641 1.295) 6.653 9.959 ( 0.271 4.394 3.253) 5.474 10.447 ( -9.248 1.725 -2.414) 9.713 10.528 ( -16.032 1.193 -0.970) 16.106 10.606 ( -23.829 1.971 0.498) 23.916 11.051 ( -1.271 4.379 -9.564) 10.595 11.383 ( 3.472 -0.355 -1.854) 3.952 11.496 ( 2.428 -1.233 12.529) 12.822 11.553 ( 10.751 -2.968 -0.486) 11.164 11.769 ( 10.043 -9.370 16.464) 21.441 11.881 ( 15.508 -14.524 1.515) 21.301 12.134 ( 21.479 -4.089 4.227) 22.270 12.835 ( 4.143 -0.129 -2.500) 4.840 12.920 ( 1.628 -8.381 2.528) 8.904 13.009 ( 0.794 -17.816 10.351) 20.620 13.479 ( 2.944 -15.179 4.345) 16.061 13.586 ( -4.966 -1.965 -3.514) 6.393 13.756 ( -2.441 -2.046 1.481) 3.513 14.399 ( -7.132 22.502 -1.866) 23.678 14.952 ( -7.122 22.277 -1.609) 23.443 15.107 ( 2.046 3.979 -10.611) 11.516 15.148 ( -10.418 8.713 -1.782) 13.697 16.646 ( -0.586 -1.546 -9.860) 9.997 16.754 ( 3.879 -2.506 -11.345) 12.249 17.619 ( 1.770 -4.699 6.020) 7.840 17.675 ( 1.803 -1.965 8.257) 8.677 18.062 ( -4.257 1.967 3.756) 6.009 18.195 ( 2.520 2.054 9.069) 9.634 18.297 ( -3.111 -0.105 5.427) 6.257 18.661 ( 14.556 4.028 0.628) 15.116 18.810 ( -6.986 -11.221 -3.792) 13.751 19.156 ( 5.131 -6.417 -2.838) 8.693 20.107 ( -17.204 -4.685 -21.735) 28.113 20.477 ( -2.555 6.510 -15.948) 17.414 20.615 ( -1.914 3.178 -10.830) 11.448 20.916 ( 2.084 -0.539 2.576) 3.358 21.230 ( -1.007 1.368 -12.788) 12.900 21.516 ( 6.875 0.052 -1.793) 7.105 23.070 ( -5.198 2.749 -3.176) 6.683 23.216 ( 1.599 0.361 -2.371) 2.882 ======================= Grid point 65 (20/55) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -3.415 3.309 6.924) 8.400 1.340 ( 6.999 0.145 11.679) 13.616 1.782 ( 5.071 10.872 -4.560) 12.834 2.280 ( 0.130 -4.820 -7.008) 8.507 2.335 ( -4.677 -2.032 4.678) 6.920 2.506 ( 6.172 5.160 -1.118) 8.122 2.681 ( 0.784 5.532 2.558) 6.145 2.850 ( 2.773 -0.291 3.028) 4.117 2.957 ( -3.314 -8.353 3.796) 9.755 2.987 ( -0.697 -0.373 4.256) 4.329 3.229 ( 3.148 -1.303 3.597) 4.955 3.327 ( -7.256 -0.562 12.596) 14.547 3.510 ( -2.279 -9.280 3.107) 10.049 3.652 ( 0.915 0.697 -4.689) 4.828 3.830 ( -5.683 3.583 4.507) 8.090 3.961 ( -3.469 -5.098 -4.979) 7.925 4.112 ( -3.182 1.206 -3.964) 5.224 4.296 ( -9.706 -11.325 3.743) 15.378 4.479 ( 10.563 3.790 3.894) 11.879 4.631 ( 1.156 8.380 0.126) 8.460 4.665 ( -2.411 0.717 4.185) 4.883 4.854 ( 3.908 -1.805 -3.783) 5.731 4.954 ( 3.387 5.685 2.515) 7.079 5.057 ( 4.506 1.832 0.153) 4.866 5.397 ( 6.884 4.261 -0.362) 8.104 5.521 ( -0.586 7.142 -5.821) 9.232 5.623 ( 7.208 -1.886 -2.806) 7.961 5.691 ( 3.898 5.812 -0.978) 7.066 5.840 ( -6.022 6.077 -2.294) 8.858 5.889 ( 3.161 -4.967 -0.067) 5.887 6.241 ( -4.039 -6.342 -1.818) 7.735 6.353 ( -3.764 -4.540 4.157) 7.215 6.588 ( -3.738 -3.977 -0.028) 5.458 6.767 ( -11.231 -10.247 1.584) 15.285 7.202 ( -3.867 -1.197 0.161) 4.051 7.270 ( 3.953 2.247 -4.894) 6.680 7.356 ( -6.874 -9.679 0.371) 11.877 7.490 ( -3.238 -0.505 -0.509) 3.317 7.991 ( 5.206 1.515 -1.813) 5.717 8.083 ( -1.054 -1.511 -5.137) 5.457 8.130 ( -3.374 4.235 1.446) 5.604 8.137 ( -1.244 -2.659 -3.640) 4.676 8.231 ( 2.415 -1.124 0.277) 2.678 8.355 ( -3.552 -2.390 3.743) 5.686 8.682 ( 2.894 0.181 -4.932) 5.721 8.698 ( 1.326 3.099 -2.273) 4.065 8.773 ( 2.794 0.511 -3.288) 4.345 8.792 ( 0.018 2.552 -0.519) 2.604 8.895 ( 1.754 3.893 -0.973) 4.380 8.930 ( 3.523 0.387 1.323) 3.783 9.101 ( 1.305 4.073 -10.189) 11.050 9.153 ( 1.524 -0.502 -7.506) 7.675 9.593 ( 9.413 6.889 9.548) 15.074 9.694 ( 2.537 3.988 11.402) 12.343 9.782 ( 8.423 13.013 3.770) 15.953 9.936 ( 2.369 5.175 0.881) 5.759 10.057 ( 4.413 3.554 2.502) 6.194 10.165 ( 13.064 -0.890 2.543) 13.339 10.500 ( 2.663 12.684 0.282) 12.963 10.540 ( 4.864 7.712 0.543) 9.134 10.764 ( 12.525 15.634 -4.070) 20.442 11.141 ( 3.594 -2.887 -5.055) 6.842 11.379 ( -0.317 -1.353 -1.708) 2.202 11.413 ( -10.441 -12.912 4.934) 17.323 11.478 ( -4.518 -9.435 -2.363) 10.724 11.542 ( -7.982 -5.348 10.724) 14.398 11.606 ( -11.475 -9.497 5.481) 15.872 11.837 ( -21.516 -12.524 4.152) 25.240 12.738 ( -1.621 -9.477 14.538) 17.430 12.846 ( -0.038 -3.786 -0.253) 3.795 12.906 ( -2.696 -4.571 2.974) 6.083 13.098 ( -17.085 -9.418 9.278) 21.603 13.665 ( 5.429 3.187 -1.053) 6.382 13.744 ( -0.123 1.675 -0.605) 1.785 14.826 ( 18.725 8.380 -4.145) 20.929 15.011 ( -2.037 12.690 -6.130) 14.240 15.311 ( 7.148 12.900 -1.888) 14.868 15.416 ( 11.812 2.197 -4.963) 12.999 16.613 ( -1.419 -1.314 -11.552) 11.713 16.689 ( -3.502 -3.383 -11.385) 12.382 17.523 ( -4.035 -3.994 6.136) 8.360 17.637 ( -1.768 -2.124 10.775) 11.124 18.108 ( 2.490 4.207 2.848) 5.658 18.266 ( 4.492 -1.526 6.781) 8.276 18.297 ( 0.852 4.939 5.025) 7.097 18.592 ( -9.076 4.757 -0.591) 10.264 18.743 ( 3.056 -15.265 0.288) 15.571 18.974 ( -11.269 -8.086 -2.372) 14.071 20.103 ( 3.999 8.388 -19.691) 21.774 20.417 ( -6.438 -9.239 -14.954) 18.720 20.779 ( 6.533 9.711 -2.961) 12.073 20.930 ( 2.781 -1.327 6.597) 7.281 21.267 ( 1.896 3.113 -16.239) 16.643 21.477 ( -3.646 -3.694 -6.700) 8.475 23.136 ( 3.512 3.413 -2.957) 5.720 23.218 ( -0.415 -0.348 -2.523) 2.581 ======================= Grid point 66 (21/55) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 2.000 -7.194 4.346) 8.640 1.383 ( -2.561 -2.175 10.412) 10.941 1.994 ( 15.528 12.242 -1.296) 19.816 2.085 ( -16.834 7.465 -1.167) 18.452 2.306 ( 2.738 -0.672 -5.166) 5.886 2.550 ( 2.173 -6.053 -2.662) 6.960 2.757 ( -3.906 0.362 -0.191) 3.927 2.823 ( 0.903 3.573 1.047) 3.831 2.910 ( 1.201 -11.848 -0.451) 11.917 3.117 ( -1.872 5.615 4.970) 7.729 3.159 ( -1.791 6.357 9.319) 11.422 3.268 ( 5.271 -2.957 8.144) 10.141 3.502 ( -8.286 -2.907 4.065) 9.677 3.672 ( -2.863 -0.593 1.955) 3.517 3.783 ( 12.865 -10.661 0.953) 16.735 3.948 ( -4.589 -2.618 1.656) 5.537 4.074 ( 4.112 -4.704 -4.462) 7.678 4.160 ( -2.587 -8.258 -0.113) 8.654 4.557 ( -3.058 4.002 3.619) 6.202 4.643 ( 0.561 4.154 3.901) 5.726 4.736 ( 8.467 7.082 0.759) 11.065 4.801 ( -6.412 1.284 0.302) 6.546 5.051 ( 3.190 6.703 0.680) 7.454 5.068 ( -3.881 6.332 -0.879) 7.479 5.467 ( -0.566 -2.342 -5.751) 6.235 5.566 ( 3.401 10.027 -0.831) 10.621 5.634 ( -3.144 2.549 -1.632) 4.364 5.749 ( -1.691 1.213 -2.533) 3.278 5.796 ( 4.279 2.111 -3.457) 5.892 5.923 ( -1.217 -2.329 5.359) 5.969 6.181 ( -0.836 -4.384 -3.896) 5.924 6.302 ( -0.246 -3.924 2.921) 4.898 6.574 ( -1.345 -7.163 1.664) 7.476 6.622 ( 1.530 -9.872 1.588) 10.115 7.201 ( 3.924 -2.787 0.325) 4.824 7.240 ( -4.289 -5.953 0.643) 7.366 7.309 ( -0.359 -0.012 -5.412) 5.424 7.470 ( 1.030 1.011 -0.365) 1.489 8.038 ( -3.028 2.699 -1.216) 4.235 8.051 ( 1.427 1.127 -3.765) 4.181 8.109 ( 0.425 -1.009 -5.084) 5.200 8.156 ( 2.348 -0.871 1.093) 2.733 8.240 ( -2.025 0.012 -0.145) 2.030 8.316 ( 0.747 -4.757 3.218) 5.792 8.695 ( -0.969 3.315 -3.950) 5.247 8.741 ( 2.487 0.554 -3.349) 4.208 8.760 ( -2.482 2.030 -2.152) 3.861 8.815 ( 0.825 0.296 -2.794) 2.929 8.918 ( 0.569 4.458 0.986) 4.601 8.965 ( -1.023 2.609 -0.256) 2.814 9.122 ( 1.557 1.980 -8.221) 8.599 9.154 ( -1.280 0.133 -8.243) 8.343 9.672 ( -1.482 4.884 11.577) 12.652 9.717 ( 0.997 1.778 12.918) 13.078 9.954 ( -1.838 11.848 -0.733) 12.012 9.962 ( 6.610 9.209 1.332) 11.413 10.054 ( -1.414 10.262 2.480) 10.651 10.237 ( -6.057 11.411 5.042) 13.868 10.598 ( 1.048 6.722 -1.485) 6.963 10.691 ( 3.465 2.555 0.041) 4.305 10.950 ( 7.696 1.112 -2.418) 8.143 11.161 ( -1.468 -2.609 -0.423) 3.024 11.219 ( -17.430 -3.160 -2.442) 17.882 11.322 ( 4.945 -0.094 -1.490) 5.165 11.420 ( 0.040 -9.975 -1.198) 10.046 11.464 ( 0.864 -11.668 1.598) 11.808 11.539 ( 7.738 -10.567 7.604) 15.144 11.567 ( -1.930 -6.208 9.732) 11.703 12.731 ( -7.072 -9.982 14.547) 19.007 12.775 ( 3.975 -8.732 6.623) 11.658 12.894 ( -3.882 -1.424 1.820) 4.518 12.958 ( 5.356 -12.153 7.176) 15.096 13.723 ( -1.851 2.645 -1.552) 3.582 13.746 ( 1.726 0.385 -0.406) 1.814 14.949 ( -4.434 16.208 -5.131) 17.569 15.081 ( 5.631 3.113 -5.842) 8.691 15.406 ( 2.534 16.176 -2.344) 16.541 15.491 ( -3.615 7.904 -3.008) 9.198 16.601 ( 0.044 -3.113 -12.619) 12.998 16.646 ( 0.030 -2.685 -11.408) 11.720 17.481 ( -0.002 -5.221 6.311) 8.190 17.617 ( -0.080 -2.525 11.646) 11.917 18.148 ( 0.845 2.519 1.908) 3.271 18.262 ( -1.436 4.729 7.362) 8.867 18.401 ( -1.939 4.386 0.809) 4.863 18.475 ( 6.117 2.159 4.254) 7.757 18.752 ( -9.839 -10.675 -1.958) 14.649 18.831 ( 5.841 -14.407 -0.702) 15.561 20.228 ( 5.884 -0.635 -17.041) 18.040 20.280 ( -5.449 -5.737 -16.864) 18.628 20.844 ( 1.263 9.756 3.079) 10.308 20.968 ( -1.596 -0.859 6.070) 6.335 21.292 ( 0.403 3.313 -16.217) 16.556 21.424 ( -0.009 -2.535 -10.086) 10.400 23.193 ( -2.143 1.456 -2.724) 3.760 23.194 ( 2.133 1.376 -2.709) 3.713 ======================= Grid point 76 (22/55) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 0.000 -1.588) 1.588 1.384 ( 0.000 0.000 11.773) 11.773 2.161 ( 0.000 -0.000 5.039) 5.039 2.161 ( 0.000 0.000 5.039) 5.039 2.284 ( 0.000 0.000 -11.520) 11.520 2.471 ( -0.000 0.000 -9.260) 9.260 2.724 ( 0.000 0.000 -0.654) 0.654 2.724 ( 0.000 0.000 -0.654) 0.654 2.903 ( 0.000 0.000 -4.526) 4.526 3.199 ( 0.000 0.000 4.078) 4.078 3.330 ( -0.000 -0.000 3.765) 3.765 3.330 ( 0.000 0.000 3.765) 3.765 3.449 ( 0.000 0.000 14.469) 14.469 3.454 ( 0.000 0.000 15.576) 15.576 3.743 ( 0.000 0.000 -6.064) 6.064 3.955 ( 0.000 0.000 3.849) 3.849 4.026 ( 0.000 0.000 -4.796) 4.796 4.026 ( 0.000 0.000 -4.796) 4.796 4.594 ( 0.000 0.000 3.525) 3.525 4.684 ( 0.000 0.000 7.061) 7.061 4.818 ( 0.000 -0.000 0.311) 0.311 4.818 ( 0.000 0.000 0.311) 0.311 5.140 ( 0.000 0.000 -1.333) 1.333 5.140 ( 0.000 0.000 -1.333) 1.333 5.434 ( 0.000 0.000 -4.270) 4.270 5.686 ( 0.000 0.000 -2.851) 2.851 5.686 ( 0.000 0.000 -2.851) 2.851 5.703 ( 0.000 0.000 4.595) 4.595 5.829 ( 0.000 0.000 -3.717) 3.717 5.908 ( 0.000 0.000 4.154) 4.154 6.126 ( 0.000 0.000 -5.345) 5.345 6.263 ( 0.000 0.000 3.083) 3.083 6.504 ( 0.000 0.000 2.307) 2.307 6.504 ( 0.000 0.000 2.307) 2.307 7.174 ( 0.000 0.000 0.998) 0.998 7.174 ( 0.000 0.000 0.998) 0.998 7.311 ( 0.000 0.000 -5.824) 5.824 7.478 ( 0.000 0.000 -0.905) 0.905 8.026 ( 0.000 0.000 -6.247) 6.247 8.095 ( 0.000 0.000 -6.285) 6.285 8.142 ( 0.000 -0.000 1.405) 1.405 8.142 ( 0.000 0.000 1.405) 1.405 8.234 ( 0.000 0.000 1.329) 1.329 8.247 ( 0.000 0.000 0.459) 0.459 8.751 ( 0.000 -0.000 -3.006) 3.006 8.751 ( 0.000 0.000 -3.006) 3.006 8.765 ( -0.000 0.000 -0.806) 0.806 8.808 ( 0.000 0.000 -6.431) 6.431 8.968 ( 0.000 0.000 2.942) 2.942 8.998 ( 0.000 0.000 -1.146) 1.146 9.143 ( 0.000 -0.000 -7.376) 7.376 9.143 ( 0.000 0.000 -7.376) 7.376 9.723 ( 0.000 0.000 12.774) 12.774 9.723 ( 0.000 0.000 12.774) 12.774 10.043 ( 0.000 0.000 0.990) 0.990 10.081 ( 0.000 0.000 2.482) 2.482 10.196 ( 0.000 0.000 -1.063) 1.063 10.379 ( 0.000 0.000 5.665) 5.665 10.741 ( -0.000 0.000 -1.462) 1.462 10.787 ( -0.000 0.000 0.555) 0.555 10.946 ( 0.000 0.000 0.878) 0.878 10.946 ( 0.000 0.000 0.878) 0.878 11.276 ( 0.000 -0.000 -2.138) 2.138 11.276 ( 0.000 0.000 -2.138) 2.138 11.315 ( 0.000 0.000 -2.166) 2.166 11.398 ( 0.000 0.000 0.601) 0.601 11.398 ( 0.000 0.000 0.601) 0.601 11.464 ( 0.000 0.000 4.410) 4.410 12.627 ( 0.000 0.000 20.291) 20.291 12.633 ( 0.000 0.000 20.442) 20.442 12.882 ( -0.000 0.000 -0.105) 0.105 12.882 ( 0.000 0.000 -0.105) 0.105 13.754 ( 0.000 0.000 -1.155) 1.155 13.754 ( 0.000 0.000 -1.155) 1.155 15.112 ( 0.000 0.000 -5.428) 5.428 15.112 ( 0.000 0.000 -5.428) 5.428 15.576 ( 0.000 0.000 -2.679) 2.679 15.576 ( 0.000 0.000 -2.679) 2.679 16.566 ( 0.000 0.000 -13.056) 13.056 16.615 ( 0.000 0.000 -12.034) 12.034 17.424 ( 0.000 0.000 6.319) 6.319 17.589 ( 0.000 0.000 12.809) 12.809 18.171 ( 0.000 0.000 0.535) 0.535 18.325 ( 0.000 0.000 8.663) 8.663 18.539 ( 0.000 0.000 -1.336) 1.336 18.562 ( 0.000 -0.000 0.568) 0.568 18.562 ( 0.000 0.000 0.568) 0.568 18.588 ( -0.000 -0.000 1.576) 1.576 20.225 ( 0.000 0.000 -16.439) 16.439 20.225 ( 0.000 0.000 -16.439) 16.439 20.958 ( 0.000 0.000 7.499) 7.499 20.958 ( 0.000 0.000 7.499) 7.499 21.326 ( 0.000 0.000 -16.473) 16.473 21.381 ( 0.000 0.000 -14.340) 14.340 23.209 ( 0.000 0.000 -2.713) 2.713 23.209 ( 0.000 0.000 -2.713) 2.713 ======================= Grid point 98 (23/55) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 0.000 28.076) 28.076 1.194 ( 0.000 0.000 28.076) 28.076 1.959 ( 0.000 0.000 40.957) 40.957 2.071 ( 0.000 0.000 5.785) 5.785 2.071 ( -0.000 0.000 5.785) 5.785 2.768 ( 0.000 0.000 -5.665) 5.665 2.768 ( 0.000 0.000 -5.665) 5.665 2.956 ( 0.000 0.000 8.564) 8.564 3.383 ( 0.000 -0.000 -5.565) 5.565 3.383 ( 0.000 0.000 -5.565) 5.565 3.561 ( -0.000 0.000 1.912) 1.912 3.673 ( -0.000 0.000 4.598) 4.598 3.757 ( -0.000 0.000 0.741) 0.741 3.885 ( -0.000 -0.000 -0.239) 0.239 3.885 ( 0.000 0.000 -0.239) 0.239 4.069 ( 0.000 -0.000 -2.416) 2.416 4.069 ( 0.000 0.000 -2.416) 2.416 4.206 ( 0.000 -0.000 12.112) 12.112 4.408 ( 0.000 0.000 2.627) 2.627 4.629 ( -0.000 0.000 -0.654) 0.654 4.629 ( -0.000 0.000 -0.654) 0.654 4.885 ( -0.000 0.000 -0.812) 0.812 4.885 ( 0.000 0.000 -0.812) 0.812 4.949 ( -0.000 0.000 2.503) 2.503 5.175 ( 0.000 0.000 6.062) 6.062 5.232 ( -0.000 0.000 -20.441) 20.441 5.245 ( -0.000 0.000 -0.111) 0.111 5.245 ( 0.000 0.000 -0.111) 0.111 5.530 ( -0.000 0.000 1.894) 1.894 5.530 ( 0.000 0.000 1.894) 1.894 6.522 ( 0.000 0.000 -10.345) 10.345 6.697 ( 0.000 0.000 1.751) 1.751 6.707 ( -0.000 0.000 10.960) 10.960 6.971 ( 0.000 0.000 -0.748) 0.748 7.363 ( -0.000 0.000 -6.085) 6.085 7.640 ( 0.000 0.000 -16.139) 16.139 7.693 ( -0.000 0.000 -0.813) 0.813 7.693 ( 0.000 0.000 -0.813) 0.813 7.889 ( -0.000 0.000 -4.944) 4.944 7.889 ( 0.000 0.000 -4.944) 4.944 7.940 ( -0.000 0.000 -4.410) 4.410 8.264 ( -0.000 0.000 -6.029) 6.029 8.389 ( -0.000 0.000 -3.381) 3.381 8.530 ( 0.000 0.000 3.189) 3.189 8.530 ( -0.000 0.000 3.189) 3.189 8.618 ( 0.000 0.000 5.039) 5.039 8.635 ( 0.000 0.000 3.347) 3.347 8.635 ( -0.000 0.000 3.347) 3.347 8.764 ( 0.000 0.000 -0.911) 0.911 8.795 ( 0.000 0.000 0.468) 0.468 8.818 ( 0.000 0.000 8.564) 8.564 8.818 ( 0.000 0.000 8.564) 8.564 8.971 ( -0.000 0.000 0.706) 0.706 9.289 ( 0.000 0.000 -4.429) 4.429 9.643 ( -0.000 0.000 -1.830) 1.830 9.643 ( 0.000 0.000 -1.830) 1.830 9.918 ( 0.000 0.000 -5.771) 5.771 9.918 ( 0.000 0.000 -5.771) 5.771 10.170 ( 0.000 0.000 8.737) 8.737 10.219 ( 0.000 0.000 -1.431) 1.431 10.219 ( 0.000 0.000 -1.431) 1.431 10.357 ( -0.000 0.000 12.162) 12.162 11.387 ( 0.000 0.000 -5.866) 5.866 11.703 ( 0.000 0.000 -10.366) 10.366 11.978 ( -0.000 0.000 28.101) 28.101 12.505 ( 0.000 0.000 4.553) 4.553 12.505 ( 0.000 0.000 4.553) 4.553 12.974 ( -0.000 0.000 -3.527) 3.527 12.974 ( 0.000 0.000 -3.527) 3.527 13.045 ( 0.000 0.000 1.702) 1.702 13.301 ( 0.000 0.000 -4.389) 4.389 13.737 ( -0.000 0.000 -3.302) 3.302 13.850 ( 0.000 0.000 0.626) 0.626 13.850 ( 0.000 -0.000 0.626) 0.626 14.027 ( 0.000 -0.000 19.728) 19.728 14.190 ( 0.000 0.000 -0.897) 0.897 14.190 ( 0.000 0.000 -0.897) 0.897 14.821 ( -0.000 0.000 5.562) 5.562 16.492 ( 0.000 0.000 -14.264) 14.264 16.612 ( 0.000 0.000 -16.004) 16.004 17.819 ( 0.000 0.000 6.918) 6.918 17.917 ( 0.000 0.000 7.274) 7.274 17.917 ( 0.000 0.000 7.274) 7.274 18.030 ( -0.000 0.000 5.688) 5.688 18.550 ( 0.000 0.000 18.682) 18.682 18.550 ( -0.000 0.000 18.682) 18.682 19.050 ( -0.000 0.000 -6.662) 6.662 19.050 ( 0.000 0.000 -6.662) 6.662 19.220 ( 0.000 0.000 -6.162) 6.162 19.725 ( 0.000 0.000 -6.298) 6.298 20.736 ( 0.000 0.000 11.001) 11.001 20.968 ( 0.000 -0.000 -15.348) 15.348 20.968 ( 0.000 0.000 -15.348) 15.348 21.708 ( 0.000 0.000 -3.961) 3.961 22.788 ( -0.000 0.000 -4.489) 4.489 23.181 ( 0.000 0.000 -4.106) 4.106 ======================= Grid point 99 (24/55) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 3.261 1.242 23.563) 23.820 1.260 ( 6.585 -2.916 26.123) 27.097 2.016 ( 2.024 4.927 17.456) 18.251 2.070 ( 0.044 -5.718 8.529) 10.268 2.221 ( 13.341 1.242 17.837) 22.309 2.720 ( -6.943 0.159 -1.604) 7.128 2.761 ( -1.474 0.361 -4.554) 4.800 2.978 ( 4.153 -1.321 3.915) 5.859 3.164 ( -14.875 2.214 -2.009) 15.172 3.301 ( -6.350 -0.928 -1.917) 6.697 3.484 ( -9.020 2.722 4.975) 10.655 3.582 ( 0.103 -2.353 0.158) 2.360 3.799 ( -4.208 2.187 2.856) 5.536 3.852 ( -1.523 0.233 -0.418) 1.597 3.996 ( -2.957 -1.612 1.684) 3.765 4.006 ( 4.748 -1.279 0.394) 4.933 4.098 ( -0.731 0.514 2.974) 3.106 4.188 ( 3.424 -2.571 0.715) 4.341 4.376 ( -3.102 7.574 1.624) 8.345 4.499 ( -2.898 -6.922 3.861) 8.439 4.716 ( 6.634 -0.844 1.969) 6.972 4.811 ( -3.159 1.499 -3.948) 5.273 4.863 ( -2.757 0.707 -0.947) 3.000 5.084 ( 8.465 -0.703 -4.532) 9.628 5.180 ( 1.254 -4.087 3.523) 5.540 5.264 ( 3.527 -0.402 -7.559) 8.351 5.331 ( -0.569 6.819 2.102) 7.158 5.420 ( 10.026 0.825 -3.611) 10.688 5.525 ( 1.261 -2.568 1.468) 3.215 5.700 ( 13.938 -0.031 -7.529) 15.841 6.482 ( -3.724 -0.149 -8.155) 8.966 6.648 ( -4.858 1.575 6.213) 8.043 6.721 ( 1.610 -1.220 4.516) 4.947 6.995 ( 2.723 0.258 -2.028) 3.405 7.265 ( -8.752 0.132 -4.085) 9.660 7.477 ( -11.457 -0.092 -10.224) 15.356 7.637 ( -5.973 -1.104 -2.102) 6.428 7.739 ( -0.421 1.486 -1.933) 2.474 7.801 ( -1.943 0.717 -3.484) 4.053 7.970 ( 6.355 -2.476 -5.345) 8.665 8.084 ( 5.804 1.460 -6.903) 9.137 8.147 ( -4.395 -0.106 -3.636) 5.705 8.300 ( -4.889 0.081 -2.811) 5.640 8.527 ( -3.993 -0.180 3.818) 5.528 8.578 ( -0.868 0.476 2.591) 2.774 8.592 ( 2.716 -0.375 3.414) 4.379 8.642 ( 1.623 -3.078 2.076) 4.052 8.676 ( 1.785 2.773 -1.587) 3.660 8.759 ( 2.176 0.016 1.386) 2.580 8.791 ( 1.809 0.502 1.523) 2.417 8.880 ( 1.941 -1.825 1.071) 2.872 8.957 ( -0.577 0.414 0.591) 0.924 9.049 ( 17.097 0.812 4.893) 17.802 9.314 ( 3.950 0.653 -0.605) 4.049 9.666 ( 1.639 0.576 -0.791) 1.909 9.818 ( 11.323 0.710 -2.718) 11.666 9.894 ( 0.481 -2.267 -0.820) 2.458 10.018 ( 7.896 -0.546 -1.278) 8.017 10.157 ( 0.561 2.118 5.263) 5.700 10.242 ( 5.727 -2.697 5.229) 8.211 10.356 ( 10.649 0.472 2.288) 10.902 10.544 ( 16.107 0.986 -5.101) 16.925 11.369 ( -1.788 0.020 -5.525) 5.807 11.639 ( -6.000 0.260 -9.854) 11.540 11.952 ( -2.168 0.105 25.124) 25.218 12.345 ( -14.104 -1.770 3.115) 14.552 12.511 ( -1.439 1.022 10.788) 10.931 12.594 ( -24.475 0.061 3.498) 24.723 12.900 ( -7.215 -1.523 -2.750) 7.870 13.212 ( -8.992 -0.312 -1.414) 9.108 13.233 ( 6.125 0.878 -5.509) 8.284 13.595 ( -1.754 1.747 0.819) 2.607 13.835 ( -1.827 -2.162 4.244) 5.102 13.891 ( -3.051 9.210 13.128) 16.324 14.004 ( 12.079 6.305 1.003) 13.662 14.260 ( 5.886 -20.881 1.397) 21.739 14.654 ( 23.785 7.714 -10.776) 27.228 14.880 ( 5.235 -0.448 3.202) 6.153 16.453 ( -2.880 -0.153 -13.913) 14.209 16.577 ( -3.285 0.020 -16.127) 16.458 17.813 ( -0.455 -0.301 7.081) 7.102 17.890 ( -2.082 -0.906 7.021) 7.379 18.072 ( 4.333 3.123 5.466) 7.642 18.218 ( 19.281 -2.804 -2.602) 19.657 18.527 ( -2.124 1.294 17.782) 17.955 18.589 ( 5.059 -0.509 14.586) 15.446 18.946 ( -6.092 6.086 -4.982) 9.949 19.101 ( 7.133 -6.225 -10.415) 14.075 19.197 ( -2.459 -0.359 -5.880) 6.384 19.886 ( 13.587 0.535 -7.876) 15.714 20.650 ( -8.730 1.033 -1.484) 8.915 20.904 ( -6.302 -2.470 -14.502) 16.004 21.006 ( 4.054 1.619 -5.932) 7.365 21.647 ( -5.965 -0.065 -3.329) 6.831 22.844 ( 5.263 0.017 -4.039) 6.634 23.176 ( -0.617 -0.006 -3.978) 4.025 ======================= Grid point 100 (25/55) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 13.878 -1.049 11.680) 18.169 1.444 ( 11.691 -4.887 21.237) 24.730 1.947 ( -8.276 4.624 8.352) 12.634 2.063 ( -5.362 -0.399 5.454) 7.659 2.402 ( 1.479 -3.976 12.258) 12.971 2.582 ( -1.237 3.729 11.608) 12.254 2.739 ( -0.108 1.185 -4.808) 4.953 2.865 ( -11.326 -0.920 -2.129) 11.561 3.105 ( 3.444 -4.482 -2.151) 6.048 3.206 ( -2.704 4.939 -1.489) 5.825 3.415 ( 1.422 5.252 4.718) 7.202 3.566 ( -1.144 -8.753 -0.602) 8.848 3.633 ( -7.950 3.749 6.606) 10.995 3.765 ( -8.980 3.225 2.618) 9.894 3.970 ( 3.478 0.662 5.844) 6.832 4.083 ( 4.192 -2.869 -1.810) 5.393 4.179 ( 4.253 1.433 -2.638) 5.206 4.214 ( 3.123 -9.687 2.054) 10.383 4.326 ( -1.552 9.287 2.502) 9.743 4.610 ( 8.388 -3.177 0.201) 8.971 4.738 ( -7.596 -0.060 -1.003) 7.662 4.779 ( -1.500 -3.111 0.100) 3.455 4.850 ( 4.865 -1.184 4.088) 6.464 5.109 ( -5.053 -1.019 4.894) 7.108 5.250 ( 0.345 9.038 0.145) 9.045 5.303 ( 4.171 -2.180 0.553) 4.739 5.339 ( 4.350 0.762 -7.496) 8.701 5.572 ( 3.056 -0.159 -4.660) 5.575 5.580 ( 4.887 -4.333 -2.884) 7.140 5.868 ( 1.569 2.204 -7.159) 7.653 6.413 ( -1.617 -1.174 -1.937) 2.783 6.545 ( -4.951 3.253 5.675) 8.203 6.758 ( 2.580 -2.560 0.121) 3.636 7.039 ( -7.179 0.949 -3.572) 8.075 7.109 ( 2.681 1.274 -3.339) 4.467 7.312 ( -3.891 -1.183 -3.805) 5.569 7.478 ( -8.948 -0.857 -3.974) 9.828 7.566 ( -10.975 0.407 -1.507) 11.086 7.906 ( 7.288 2.538 0.377) 7.727 8.042 ( 0.018 -1.937 -5.428) 5.764 8.084 ( 2.082 -0.826 -3.998) 4.583 8.193 ( -2.305 0.218 -0.948) 2.502 8.275 ( 3.826 1.811 -2.360) 4.847 8.459 ( -1.514 -0.692 0.389) 1.710 8.547 ( -1.294 -2.942 -3.642) 4.857 8.624 ( 0.368 0.720 2.919) 3.029 8.672 ( -0.053 -3.091 -0.139) 3.094 8.699 ( 1.326 5.917 -1.451) 6.235 8.800 ( 1.251 -0.636 0.444) 1.472 8.828 ( 0.566 -2.942 0.468) 3.033 8.889 ( 1.227 0.168 -2.910) 3.162 8.950 ( -0.775 1.473 -2.184) 2.745 9.376 ( 14.110 1.756 2.209) 14.389 9.445 ( 8.154 0.652 2.971) 8.703 9.680 ( -0.704 -0.626 0.473) 1.054 9.779 ( -6.047 -1.978 -0.898) 6.425 10.054 ( 4.521 0.524 6.707) 8.106 10.091 ( 1.193 1.775 11.630) 11.825 10.368 ( 17.767 -1.792 -0.520) 17.865 10.444 ( 14.088 -2.956 -0.805) 14.417 10.644 ( 17.403 0.765 1.011) 17.450 10.848 ( 11.649 1.681 -7.581) 14.000 11.318 ( -3.475 0.008 -4.928) 6.030 11.469 ( -11.677 0.792 -7.728) 14.025 11.898 ( -3.939 1.520 14.506) 15.108 12.051 ( -12.199 -3.202 2.924) 12.947 12.129 ( -18.145 0.248 6.839) 19.392 12.366 ( -14.871 -0.440 17.501) 22.970 12.778 ( -1.801 -0.424 -1.882) 2.639 12.977 ( -9.953 -0.136 2.525) 10.269 13.409 ( 9.163 0.789 -7.236) 11.702 13.634 ( 1.541 2.239 -1.171) 2.960 13.789 ( -1.948 9.706 8.442) 13.010 13.847 ( -1.978 -3.577 10.750) 11.501 14.242 ( 10.593 9.845 1.120) 14.505 14.372 ( 4.222 -21.694 3.018) 22.307 14.967 ( 8.354 6.435 -8.397) 13.480 14.990 ( 5.093 -1.261 -2.962) 6.025 16.411 ( -0.895 -0.552 -15.455) 15.491 16.499 ( -4.238 0.243 -16.496) 17.033 17.806 ( -0.094 -0.797 7.584) 7.626 17.848 ( -2.039 0.236 7.316) 7.599 18.172 ( 5.752 1.704 7.517) 9.617 18.370 ( -0.854 -3.586 8.017) 8.824 18.486 ( -1.081 1.058 13.001) 13.088 18.602 ( -5.322 -1.411 4.458) 7.084 18.956 ( 4.119 10.584 -3.634) 11.924 19.124 ( -4.283 -1.486 -4.916) 6.687 19.474 ( 28.100 -9.272 -25.318) 38.944 20.179 ( 14.567 2.487 -8.603) 17.100 20.406 ( -15.223 3.216 -16.364) 22.580 20.730 ( -10.990 -3.632 -12.933) 17.356 21.125 ( 7.798 1.392 0.112) 7.922 21.491 ( -9.258 -0.422 -1.658) 9.415 22.968 ( 6.572 0.061 -3.574) 7.482 23.150 ( -2.191 -0.033 -3.725) 4.322 ======================= Grid point 101 (26/55) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -1.290 -3.449 11.817) 12.378 1.644 ( 1.290 3.449 11.817) 12.378 1.819 ( 3.435 -5.393 5.002) 8.118 1.819 ( -3.435 5.393 5.002) 8.118 2.491 ( 7.814 -9.428 13.885) 18.513 2.491 ( -7.814 9.428 13.885) 18.513 2.759 ( -0.984 -6.438 -4.644) 7.999 2.759 ( 0.984 6.438 -4.644) 7.999 3.156 ( 2.966 -8.858 -2.577) 9.690 3.156 ( -2.966 8.858 -2.577) 9.690 3.493 ( -5.591 -1.623 3.077) 6.585 3.493 ( 5.591 1.623 3.077) 6.585 3.604 ( 2.270 -6.671 3.410) 7.828 3.604 ( -2.270 6.671 3.410) 7.828 4.089 ( -3.997 -3.596 -3.648) 6.498 4.089 ( 3.997 3.596 -3.648) 6.498 4.228 ( 2.676 -5.972 1.126) 6.640 4.228 ( -2.676 5.972 1.126) 6.640 4.465 ( -11.654 -5.061 10.705) 16.614 4.465 ( 11.654 5.061 10.705) 16.614 4.752 ( -0.769 -2.285 -3.371) 4.144 4.752 ( 0.769 2.285 -3.371) 4.144 4.970 ( 5.473 -6.031 5.758) 9.975 4.970 ( -5.473 6.031 5.758) 9.975 5.293 ( -1.190 -3.613 0.783) 3.884 5.293 ( 1.190 3.613 0.783) 3.884 5.487 ( -7.150 -2.163 -9.677) 12.225 5.487 ( 7.150 2.163 -9.677) 12.225 5.764 ( -7.280 2.039 -3.749) 8.439 5.764 ( 7.280 -2.039 -3.749) 8.439 6.452 ( 0.364 -2.411 3.554) 4.310 6.452 ( -0.364 2.411 3.554) 4.310 6.856 ( -5.811 0.618 -2.418) 6.324 6.856 ( 5.811 -0.618 -2.418) 6.324 7.245 ( -7.044 -3.073 -4.342) 8.827 7.245 ( 7.044 3.073 -4.342) 8.827 7.395 ( -3.767 -2.287 -1.255) 4.582 7.395 ( 3.767 2.287 -1.255) 4.582 8.032 ( -3.083 -3.678 -0.694) 4.850 8.032 ( 3.083 3.678 -0.694) 4.850 8.110 ( -1.829 -0.497 -2.016) 2.766 8.110 ( 1.829 0.497 -2.016) 2.766 8.381 ( -2.707 -6.095 -1.603) 6.860 8.381 ( 2.707 6.095 -1.603) 6.860 8.593 ( 3.156 -3.689 -1.882) 5.207 8.593 ( -3.156 3.689 -1.882) 5.207 8.683 ( 0.955 -4.284 -2.015) 4.829 8.683 ( -0.955 4.284 -2.015) 4.829 8.823 ( -0.299 -1.429 0.830) 1.680 8.823 ( 0.299 1.429 0.830) 1.680 8.924 ( 0.033 -1.619 -3.563) 3.914 8.924 ( -0.033 1.619 -3.563) 3.914 9.558 ( -1.079 -4.740 1.292) 5.030 9.558 ( 1.079 4.740 1.292) 5.030 9.660 ( -2.436 -0.923 1.034) 2.802 9.660 ( 2.436 0.923 1.034) 2.802 10.098 ( 0.990 -2.654 11.963) 12.294 10.098 ( -0.990 2.654 11.963) 12.294 10.629 ( -2.736 -4.131 -2.021) 5.352 10.629 ( 2.736 4.131 -2.021) 5.352 10.914 ( -5.115 -1.516 -1.472) 5.535 10.914 ( 5.115 1.516 -1.472) 5.535 11.268 ( -2.166 0.454 -5.002) 5.469 11.268 ( 2.166 -0.454 -5.002) 5.469 11.859 ( -4.265 -2.249 0.158) 4.824 11.859 ( 4.265 2.249 0.158) 4.824 12.080 ( -9.179 0.502 16.334) 18.744 12.080 ( 9.179 -0.502 16.334) 18.744 12.825 ( -3.686 -2.435 3.011) 5.346 12.825 ( 3.686 2.435 3.011) 5.346 13.574 ( -6.086 -0.584 -6.145) 8.668 13.574 ( 6.086 0.584 -6.145) 8.668 13.801 ( -1.768 -17.787 11.524) 21.268 13.801 ( 1.768 17.787 11.524) 21.268 14.386 ( -3.000 -18.138 2.640) 18.573 14.386 ( 3.000 18.138 2.640) 18.573 15.042 ( 0.275 -5.817 -5.610) 8.086 15.042 ( -0.275 5.817 -5.610) 8.086 16.428 ( -1.359 -0.617 -16.633) 16.700 16.428 ( 1.359 0.617 -16.633) 16.700 17.815 ( 0.167 -2.642 7.719) 8.161 17.815 ( -0.167 2.642 7.719) 8.161 18.290 ( -4.409 -3.748 9.846) 11.421 18.290 ( 4.409 3.748 9.846) 11.421 18.508 ( -0.656 -4.312 7.201) 8.419 18.508 ( 0.656 4.312 7.201) 8.419 19.037 ( -4.299 -4.993 -3.955) 7.685 19.037 ( 4.299 4.993 -3.955) 7.685 20.004 ( -23.460 6.652 -23.691) 33.999 20.004 ( 23.460 -6.652 -23.691) 33.999 20.483 ( -12.235 -4.803 -11.967) 17.775 20.483 ( 12.235 4.803 -11.967) 17.775 21.301 ( -8.491 -2.279 0.044) 8.791 21.301 ( 8.491 2.279 0.044) 8.791 23.083 ( -4.708 -0.064 -3.529) 5.884 23.083 ( 4.708 0.064 -3.529) 5.884 ======================= Grid point 106 (27/55) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 4.498 4.633 21.040) 22.009 1.311 ( 1.664 6.352 21.345) 22.332 1.951 ( -2.074 -5.278 10.603) 12.024 2.182 ( 1.853 5.563 4.559) 7.428 2.324 ( 11.533 9.799 21.549) 26.332 2.656 ( -4.302 -5.986 0.117) 7.373 2.753 ( -1.792 -0.982 -2.712) 3.396 2.955 ( -5.140 -4.772 2.455) 7.431 3.107 ( -11.647 -3.328 -2.243) 12.319 3.178 ( 6.723 -6.186 1.607) 9.276 3.459 ( -4.955 -6.648 0.946) 8.345 3.549 ( -7.341 -1.946 4.924) 9.051 3.780 ( -2.125 -8.617 3.037) 9.381 3.842 ( 4.174 -1.692 -5.105) 6.808 3.919 ( -4.292 -6.496 1.849) 8.003 3.954 ( -6.475 7.608 4.560) 10.982 4.121 ( -3.917 1.107 4.217) 5.861 4.291 ( 0.873 1.061 -2.317) 2.693 4.312 ( 11.217 3.621 3.275) 12.233 4.610 ( -4.220 7.769 3.940) 9.680 4.629 ( 3.590 -5.736 1.384) 6.907 4.783 ( -2.795 1.657 -7.279) 7.972 4.947 ( 6.173 3.726 1.424) 7.349 5.114 ( -5.247 -1.790 2.780) 6.202 5.176 ( 4.872 4.316 -1.439) 6.666 5.275 ( 3.373 1.470 -5.888) 6.942 5.398 ( 5.482 1.166 -2.800) 6.265 5.489 ( 5.265 5.164 0.451) 7.388 5.628 ( 3.713 7.556 0.028) 8.419 5.733 ( 6.150 4.475 -8.314) 11.268 6.429 ( -4.746 -4.511 -6.074) 8.931 6.636 ( -0.388 -6.690 5.138) 8.444 6.690 ( -3.614 2.065 3.642) 5.531 7.024 ( 3.399 2.680 -2.994) 5.263 7.175 ( -8.045 -8.601 -2.907) 12.130 7.378 ( -7.934 -7.391 -6.713) 12.753 7.592 ( -6.243 -4.471 -3.112) 8.286 7.707 ( -4.938 -6.384 -1.587) 8.226 7.804 ( 3.790 1.533 -2.297) 4.690 7.990 ( 1.292 4.161 -5.629) 7.118 8.076 ( -3.116 -2.675 -5.900) 7.189 8.180 ( 5.599 3.888 -2.924) 7.417 8.219 ( -4.886 -4.985 -3.038) 7.613 8.503 ( -1.889 -1.702 -0.727) 2.644 8.546 ( -3.249 -1.273 3.960) 5.279 8.624 ( 3.032 2.636 2.413) 4.686 8.665 ( 1.093 -0.445 1.090) 1.606 8.739 ( 0.979 0.740 -1.263) 1.761 8.784 ( 0.313 3.343 1.428) 3.649 8.792 ( 5.583 4.922 -0.996) 7.509 8.933 ( 1.698 3.255 -3.718) 5.225 8.947 ( 1.016 -1.191 2.002) 2.541 9.225 ( 14.739 14.326 4.937) 21.138 9.372 ( 6.968 5.344 1.729) 8.950 9.807 ( 4.839 7.065 0.683) 8.590 9.848 ( 11.693 4.927 -0.923) 12.722 9.937 ( -0.670 2.877 0.706) 3.037 10.035 ( 0.508 4.606 1.945) 5.026 10.198 ( 8.623 4.632 0.859) 9.826 10.298 ( 0.738 8.805 6.659) 11.064 10.380 ( 6.165 2.807 2.680) 7.285 10.686 ( 13.193 11.061 -8.923) 19.391 11.356 ( -1.270 -1.338 -5.309) 5.620 11.592 ( -4.294 -5.067 -9.379) 11.493 11.911 ( -3.465 -3.803 21.267) 21.880 12.215 ( -13.858 -10.533 4.677) 18.024 12.357 ( -18.977 -20.092 5.812) 28.242 12.500 ( -5.086 -4.553 8.208) 10.676 12.849 ( -6.264 -4.386 -4.687) 8.969 13.105 ( -7.967 -7.594 1.770) 11.148 13.278 ( 5.450 3.132 -1.021) 6.369 13.600 ( 2.158 -6.377 2.673) 7.244 13.707 ( -0.680 -9.623 17.307) 19.814 13.737 ( -8.511 0.911 5.856) 10.371 14.206 ( 16.671 10.134 0.057) 19.509 14.516 ( -4.008 24.295 -8.616) 26.087 14.808 ( 24.251 6.826 -9.397) 26.889 14.947 ( 5.336 6.850 1.548) 8.820 16.424 ( -2.647 -2.189 -14.431) 14.835 16.550 ( -2.785 -2.878 -16.135) 16.625 17.788 ( -2.326 -1.557 6.790) 7.345 17.878 ( -1.530 -0.756 7.627) 7.816 18.085 ( 4.343 1.312 6.421) 7.862 18.344 ( 3.706 8.553 0.634) 9.342 18.522 ( -0.020 -2.640 16.360) 16.571 18.606 ( 1.669 3.314 7.122) 8.030 18.903 ( 2.822 -11.699 -4.973) 13.022 19.140 ( -1.244 3.311 -6.856) 7.714 19.197 ( 2.098 11.421 -11.044) 16.026 20.026 ( 13.054 11.637 -10.385) 20.339 20.548 ( -8.259 -10.599 -8.682) 15.998 20.922 ( -5.298 2.916 -13.884) 15.144 20.995 ( 4.750 -1.800 -0.962) 5.170 21.596 ( -5.128 -4.890 -3.189) 7.770 22.893 ( 4.554 4.503 -3.761) 7.427 23.173 ( -0.367 -0.346 -3.861) 3.894 ======================= Grid point 107 (28/55) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 5.802 -1.557 18.132) 19.101 1.405 ( 13.086 5.082 9.126) 16.744 1.878 ( -6.933 -8.438 8.621) 13.914 2.174 ( -2.477 6.137 3.587) 7.527 2.388 ( -9.361 1.941 6.681) 11.663 2.652 ( 6.591 2.318 10.097) 12.278 2.691 ( -2.701 -4.111 -0.787) 4.981 2.863 ( -2.368 -1.064 -2.389) 3.528 2.996 ( -1.635 -2.917 -2.293) 4.055 3.304 ( -7.444 -7.526 4.893) 11.662 3.338 ( 5.916 -3.535 0.660) 6.923 3.434 ( -2.292 -0.750 -1.560) 2.872 3.673 ( -11.449 0.268 8.172) 14.069 3.757 ( -3.919 -3.820 8.358) 9.991 3.916 ( 1.298 -7.668 -8.463) 11.494 3.988 ( 6.219 -3.605 -1.256) 7.298 4.080 ( 3.821 -2.424 9.622) 10.633 4.338 ( 3.280 11.288 -4.462) 12.574 4.505 ( -4.076 6.494 4.585) 8.933 4.564 ( 8.182 -0.198 5.760) 10.008 4.657 ( -1.866 -0.013 4.326) 4.711 4.758 ( 0.127 -0.168 -8.467) 8.469 4.977 ( -1.959 8.239 5.168) 9.921 5.041 ( -0.687 -4.710 4.307) 6.419 5.318 ( 5.561 3.948 -1.024) 6.897 5.354 ( 5.214 -0.019 -6.684) 8.477 5.454 ( 1.394 7.610 -4.673) 9.038 5.576 ( 4.358 3.125 -2.628) 5.972 5.615 ( -3.384 5.457 -3.965) 7.547 5.895 ( 5.342 0.542 -3.293) 6.299 6.342 ( -2.735 -5.314 -1.445) 6.149 6.566 ( -6.148 -2.635 6.819) 9.552 6.658 ( 1.227 -5.191 -1.093) 5.445 6.980 ( -9.798 -7.334 -1.509) 12.331 7.132 ( 6.172 1.382 -4.419) 7.716 7.252 ( -3.583 -3.558 -1.748) 5.344 7.455 ( -6.350 -1.323 -3.059) 7.171 7.528 ( -10.607 -5.089 -1.171) 11.823 7.920 ( 5.889 -0.105 -3.352) 6.777 8.025 ( 0.964 -4.548 -5.660) 7.325 8.052 ( 0.541 2.482 -1.637) 3.022 8.144 ( -1.648 -4.106 -3.333) 5.539 8.253 ( 0.303 -1.364 -0.143) 1.404 8.489 ( 1.185 3.379 0.254) 3.590 8.502 ( -1.605 -2.992 -4.155) 5.366 8.662 ( 1.029 0.123 0.021) 1.037 8.674 ( 0.555 4.137 1.237) 4.354 8.766 ( -1.792 1.190 0.202) 2.160 8.786 ( 2.745 2.376 -1.755) 4.033 8.858 ( 1.464 3.497 -1.617) 4.122 8.961 ( 1.658 3.452 -1.843) 4.250 8.977 ( 0.370 2.091 -3.218) 3.855 9.528 ( 13.992 11.490 3.502) 18.441 9.537 ( 8.428 9.729 3.757) 13.409 9.810 ( -1.873 8.786 2.943) 9.454 9.880 ( -3.754 13.034 0.059) 13.564 10.041 ( 0.683 -0.602 9.156) 9.201 10.164 ( 7.797 4.239 5.045) 10.209 10.348 ( 12.623 1.925 2.274) 12.970 10.427 ( 11.663 2.253 0.225) 11.881 10.636 ( 17.867 -1.195 0.221) 17.909 10.944 ( 10.197 6.683 -7.962) 14.562 11.316 ( -3.156 -0.146 -4.906) 5.835 11.460 ( -9.959 -1.945 -7.384) 12.550 11.819 ( -6.903 -10.285 9.272) 15.473 11.896 ( -14.670 -11.422 0.897) 18.614 11.985 ( -13.575 -12.062 10.452) 20.953 12.256 ( -16.937 -11.457 12.652) 24.046 12.788 ( 0.351 1.753 -0.418) 1.836 12.964 ( -6.154 -1.444 3.382) 7.169 13.394 ( 5.528 -3.214 3.653) 7.364 13.546 ( -6.923 -12.081 13.875) 19.657 13.664 ( -0.438 1.827 -3.411) 3.894 13.776 ( 5.373 -13.838 14.447) 20.714 14.467 ( -1.154 23.630 -6.315) 24.486 14.530 ( 15.218 13.015 -3.160) 20.272 15.043 ( 3.312 8.390 -1.040) 9.080 15.148 ( 9.798 9.288 -8.329) 15.864 16.376 ( -1.557 -2.626 -16.311) 16.595 16.478 ( -3.998 -2.435 -16.096) 16.762 17.747 ( -1.391 -4.126 6.913) 8.170 17.856 ( -0.751 0.008 7.835) 7.871 18.179 ( 4.587 -0.349 9.564) 10.613 18.361 ( 0.157 2.075 5.283) 5.678 18.468 ( -4.298 -1.577 9.393) 10.449 18.599 ( -1.868 0.146 8.933) 9.127 18.980 ( 2.251 -10.053 -4.240) 11.141 19.042 ( -7.373 -6.289 -5.042) 10.924 19.453 ( 21.382 10.145 -20.746) 31.472 20.296 ( 3.290 -0.978 -15.300) 15.680 20.362 ( -0.931 2.629 -13.322) 13.611 20.779 ( -8.612 6.992 -14.258) 18.065 21.116 ( 7.139 -2.279 1.227) 7.593 21.456 ( -8.552 -3.250 -2.643) 9.522 23.001 ( 5.735 2.967 -3.468) 7.329 23.154 ( -1.741 0.367 -3.612) 4.026 ======================= Grid point 108 (29/55) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 8.892 -8.666 16.517) 20.663 1.680 ( -11.293 -4.882 9.386) 15.475 1.729 ( 16.957 4.208 -1.994) 17.585 1.926 ( -16.974 4.153 2.478) 17.650 2.378 ( 8.034 -1.951 9.582) 12.656 2.638 ( -3.931 0.936 3.740) 5.506 2.727 ( 0.193 6.044 6.700) 9.025 2.842 ( -0.572 -2.764 -5.473) 6.158 3.000 ( 1.905 -3.399 -2.025) 4.391 3.227 ( -0.353 -4.737 3.457) 5.876 3.367 ( -5.244 -4.413 2.741) 7.381 3.442 ( 1.887 -1.154 -2.467) 3.314 3.512 ( 0.843 -5.326 7.262) 9.044 3.668 ( -2.384 0.084 3.154) 3.955 3.967 ( -0.020 -7.185 -8.210) 10.910 4.080 ( 0.519 -7.534 -2.057) 7.827 4.221 ( 7.670 3.901 5.489) 10.207 4.360 ( -5.542 -1.636 14.552) 15.657 4.444 ( 0.204 13.010 0.815) 13.037 4.536 ( 0.988 0.844 4.017) 4.222 4.698 ( 2.638 -1.390 -1.239) 3.229 4.779 ( -1.401 0.351 -0.692) 1.602 4.954 ( 0.916 5.592 4.551) 7.268 5.047 ( -0.236 0.896 3.892) 4.001 5.348 ( -0.610 6.939 -0.768) 7.008 5.392 ( -0.979 3.806 -2.506) 4.661 5.490 ( -7.468 3.683 -5.262) 9.850 5.558 ( 6.473 4.848 -8.499) 11.732 5.708 ( 7.619 -2.052 -4.086) 8.886 5.862 ( -7.046 5.746 -4.718) 10.243 6.345 ( 1.374 -7.004 4.468) 8.421 6.455 ( -3.433 -2.761 3.998) 5.949 6.743 ( 6.334 -7.396 -0.674) 9.761 6.821 ( -4.274 -5.863 -0.660) 7.286 7.198 ( -3.966 -1.210 -3.490) 5.420 7.271 ( 7.917 -1.560 -3.935) 8.977 7.337 ( -6.465 -3.061 -1.040) 7.228 7.419 ( 2.735 0.166 -1.435) 3.093 7.979 ( -1.753 -0.517 -0.824) 2.005 8.030 ( -0.834 -3.410 -6.259) 7.176 8.043 ( 0.224 -5.337 -3.206) 6.230 8.156 ( 2.822 3.168 1.268) 4.428 8.255 ( -0.089 -4.598 -1.806) 4.940 8.432 ( -2.801 -1.194 -2.961) 4.248 8.557 ( 3.011 0.612 -1.312) 3.341 8.669 ( -1.503 1.675 -0.193) 2.259 8.691 ( 0.474 -0.655 -1.271) 1.507 8.726 ( -0.379 8.108 -1.895) 8.335 8.838 ( 1.826 0.993 -1.521) 2.575 8.876 ( 1.002 2.790 0.637) 3.032 8.954 ( -2.130 3.885 -5.812) 7.309 8.982 ( -0.023 3.078 -1.842) 3.587 9.616 ( -0.315 10.667 0.876) 10.708 9.700 ( -7.636 9.032 3.570) 12.354 9.774 ( 8.018 10.625 1.257) 13.370 9.847 ( 0.821 16.471 2.442) 16.672 10.055 ( 0.290 -1.690 13.221) 13.332 10.169 ( -2.881 5.242 9.511) 11.235 10.545 ( -0.251 -3.334 -1.842) 3.817 10.681 ( 5.945 1.129 0.110) 6.053 10.891 ( 1.245 -0.103 -1.327) 1.823 11.002 ( -3.923 6.323 -2.646) 7.897 11.247 ( 0.283 -1.432 -4.276) 4.518 11.276 ( -2.254 -0.129 -4.933) 5.425 11.687 ( -3.007 -14.084 -0.496) 14.410 11.762 ( 3.564 -11.520 0.454) 12.068 11.942 ( 5.851 -11.730 9.083) 15.948 11.993 ( -4.876 -9.985 14.350) 18.149 12.812 ( 0.062 1.645 3.265) 3.656 12.892 ( 0.582 2.269 3.227) 3.987 13.409 ( -4.647 -12.836 18.653) 23.115 13.509 ( 4.273 -8.398 5.109) 10.719 13.616 ( -4.465 0.775 -3.524) 5.741 13.847 ( 1.102 -9.654 9.747) 13.763 14.446 ( -1.800 20.500 -2.425) 20.721 14.777 ( 9.105 14.990 -6.492) 18.701 15.047 ( -3.402 9.004 -3.283) 10.170 15.216 ( -2.026 10.623 -4.848) 11.852 16.377 ( 1.055 -3.711 -17.055) 17.486 16.420 ( -0.730 -1.976 -16.391) 16.526 17.738 ( 0.398 -5.118 7.480) 9.072 17.847 ( -0.104 0.532 8.785) 8.801 18.229 ( -0.959 -1.691 7.293) 7.547 18.380 ( 1.921 4.494 11.791) 12.764 18.420 ( 0.686 -3.369 3.988) 5.266 18.578 ( 0.776 2.239 8.653) 8.971 18.880 ( -8.242 -9.524 -4.533) 13.386 19.022 ( 2.484 -7.068 -3.253) 8.168 19.884 ( 20.631 -3.148 -20.046) 28.938 20.026 ( -18.160 -4.146 -20.587) 27.764 20.531 ( -4.825 9.973 -10.196) 15.057 20.659 ( 6.164 9.955 -18.155) 21.604 21.222 ( -2.949 -4.272 2.640) 5.824 21.326 ( 2.133 -1.203 -3.116) 3.963 23.098 ( -3.397 1.481 -3.415) 5.040 23.100 ( 3.373 1.498 -3.444) 5.048 ======================= Grid point 110 (30/55) ======================= q-point: (-0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -14.148 4.645 11.297) 18.691 1.476 ( -10.767 -2.418 16.628) 19.957 1.816 ( 8.004 -6.511 7.817) 12.944 2.103 ( 13.972 1.809 -3.150) 14.437 2.523 ( -6.758 5.302 11.138) 14.065 2.545 ( 4.907 0.337 12.508) 13.440 2.730 ( 1.177 1.647 0.794) 2.174 2.828 ( 1.953 -4.471 -4.901) 6.915 3.059 ( 3.732 -2.819 1.232) 4.837 3.194 ( -6.935 -8.044 2.512) 10.914 3.300 ( 6.351 0.986 0.102) 6.428 3.503 ( 2.800 -5.933 2.491) 7.017 3.628 ( 7.177 -3.382 1.046) 8.002 3.708 ( 6.703 -0.377 5.827) 8.890 3.916 ( -2.796 -3.616 -2.768) 5.343 4.062 ( -2.417 -10.530 -2.201) 11.026 4.199 ( -6.553 0.832 9.875) 11.880 4.280 ( -2.661 8.424 2.563) 9.199 4.409 ( 0.815 9.818 -0.546) 9.867 4.624 ( -6.465 -1.146 -4.148) 7.767 4.671 ( 0.862 -1.294 -2.357) 2.824 4.839 ( 5.056 -0.303 7.229) 8.827 4.957 ( 0.318 0.537 2.740) 2.810 5.030 ( 0.265 2.692 4.252) 5.039 5.292 ( -5.066 6.145 -0.379) 7.973 5.340 ( -5.860 1.631 -7.028) 9.294 5.401 ( 0.939 6.771 -0.964) 6.904 5.609 ( -3.826 2.941 -2.808) 5.583 5.720 ( -4.182 9.466 -2.342) 10.610 5.806 ( -0.132 -4.092 -9.009) 9.895 6.353 ( 1.726 -6.338 0.700) 6.606 6.495 ( 6.189 -1.874 3.758) 7.479 6.730 ( -2.160 -4.985 2.082) 5.818 6.964 ( 11.476 -6.918 -1.812) 13.522 7.102 ( -4.836 1.821 -4.406) 6.791 7.278 ( 1.378 -3.785 -2.318) 4.647 7.451 ( 9.275 -4.061 -4.361) 11.024 7.540 ( 8.234 -2.829 -0.455) 8.719 7.883 ( -5.548 1.700 0.758) 5.852 8.019 ( -0.142 -3.246 -7.237) 7.933 8.072 ( 1.216 -3.471 -6.818) 7.747 8.191 ( -2.631 -3.087 -0.999) 4.177 8.216 ( 0.003 2.429 1.466) 2.837 8.445 ( 3.181 -1.896 -3.125) 4.846 8.591 ( -4.446 -0.986 -1.231) 4.718 8.607 ( 2.440 -0.172 0.456) 2.488 8.682 ( -1.455 4.203 1.737) 4.775 8.746 ( 0.446 4.472 -1.039) 4.613 8.841 ( -1.352 0.709 -0.335) 1.563 8.892 ( -4.183 3.419 -4.638) 7.121 8.912 ( 2.070 1.368 1.567) 2.935 8.970 ( -0.972 3.840 -4.659) 6.116 9.505 ( -10.877 14.041 2.016) 17.875 9.522 ( -9.497 8.555 3.631) 13.288 9.835 ( 0.390 11.963 2.574) 12.243 9.916 ( 2.989 10.371 -0.088) 10.793 10.018 ( -5.741 -1.169 9.584) 11.233 10.095 ( -2.743 1.051 8.268) 8.774 10.413 ( -8.070 4.002 -0.761) 9.040 10.509 ( -16.722 3.175 -0.586) 17.031 10.613 ( -19.355 -1.857 0.927) 19.466 10.901 ( -8.897 6.502 -6.486) 12.786 11.315 ( 2.877 -0.146 -4.870) 5.658 11.438 ( 11.195 -2.191 -7.258) 13.521 11.780 ( 10.227 -10.543 7.436) 16.463 11.969 ( 13.402 -11.773 4.091) 18.302 11.993 ( 10.234 -10.900 11.945) 19.137 12.252 ( 18.442 -12.849 6.099) 23.290 12.795 ( -0.038 1.790 -0.602) 1.889 12.972 ( 5.804 -1.356 3.543) 6.934 13.341 ( -2.599 -6.664 14.619) 16.275 13.522 ( -2.141 0.113 3.271) 3.911 13.599 ( 4.183 -7.340 6.494) 10.656 13.816 ( -3.919 -7.686 6.792) 10.980 14.370 ( -6.162 18.374 -0.458) 19.385 14.855 ( -4.774 2.977 -13.221) 14.368 14.909 ( -7.650 20.121 -2.469) 21.667 15.106 ( -7.984 8.235 -2.038) 11.649 16.388 ( 1.076 -2.740 -15.624) 15.898 16.472 ( 4.388 -2.382 -16.525) 17.262 17.758 ( 1.430 -4.534 7.348) 8.752 17.856 ( 1.028 0.108 9.216) 9.274 18.156 ( -4.900 0.933 4.803) 6.925 18.428 ( -0.284 -3.290 9.655) 10.204 18.450 ( 3.525 2.949 13.094) 13.878 18.663 ( 5.257 3.619 -0.546) 6.406 18.741 ( -3.320 -9.256 -1.367) 9.927 19.084 ( 3.646 -5.741 -4.109) 7.946 19.612 ( -23.133 4.285 -21.285) 31.726 20.219 ( 5.871 -1.210 -12.558) 13.915 20.339 ( -2.799 5.266 -15.907) 16.988 20.848 ( 8.525 6.286 -14.208) 17.722 21.075 ( -7.725 -3.031 1.777) 8.486 21.466 ( 7.831 -3.253 -2.434) 8.822 22.999 ( -5.677 2.980 -3.424) 7.268 23.155 ( 1.688 0.365 -3.632) 4.021 ======================= Grid point 114 (31/55) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -7.228 -2.741 11.288) 13.681 1.598 ( 8.455 9.562 11.628) 17.267 1.722 ( -1.245 -0.404 1.781) 2.210 2.153 ( 3.772 -8.880 -5.507) 11.109 2.436 ( -12.364 1.390 4.060) 13.088 2.586 ( -2.879 -6.825 5.710) 9.352 2.698 ( 2.882 1.700 1.136) 3.534 2.816 ( -1.296 1.146 -2.419) 2.974 2.993 ( -8.176 -10.121 -0.193) 13.012 3.116 ( 7.466 6.188 6.841) 11.868 3.325 ( -2.440 -2.241 5.945) 6.806 3.440 ( 1.074 -0.626 -6.243) 6.365 3.576 ( -5.547 -6.997 -2.164) 9.187 3.692 ( 3.660 -1.998 13.507) 14.136 3.852 ( -7.857 -0.461 -3.865) 8.769 3.917 ( 2.387 -1.123 1.572) 3.070 4.118 ( -4.104 5.520 8.793) 11.164 4.426 ( -4.940 -10.105 8.612) 14.166 4.548 ( 8.100 6.875 -0.473) 10.635 4.633 ( 4.012 7.283 2.637) 8.723 4.738 ( 5.904 -0.250 -6.638) 8.887 4.774 ( -3.524 1.279 5.791) 6.899 4.989 ( 3.771 3.003 0.997) 4.923 5.094 ( 0.121 2.517 3.848) 4.600 5.351 ( 1.498 0.912 -3.914) 4.289 5.441 ( 7.388 7.083 -2.966) 10.656 5.541 ( 5.687 1.683 -4.990) 7.751 5.653 ( 1.238 3.292 -3.687) 5.095 5.713 ( -4.950 1.745 -7.004) 8.752 5.910 ( 7.736 1.995 -1.694) 8.167 6.232 ( -4.566 -4.451 3.326) 7.192 6.445 ( -3.355 -6.608 4.269) 8.552 6.614 ( -4.585 -0.395 2.848) 5.412 6.797 ( -8.835 -9.824 1.114) 13.259 7.165 ( 3.258 2.221 -4.597) 6.057 7.208 ( -1.963 -0.463 -0.322) 2.043 7.358 ( -4.880 -8.557 -0.577) 9.867 7.444 ( -5.240 -1.982 -3.543) 6.628 7.941 ( 0.475 1.194 -3.847) 4.056 7.957 ( -1.494 -1.693 -7.577) 7.906 8.029 ( 1.773 -1.997 -5.661) 6.259 8.162 ( -0.569 3.944 0.956) 4.098 8.244 ( -0.169 -0.391 1.184) 1.259 8.401 ( -2.974 -5.375 -1.112) 6.243 8.573 ( 1.397 3.346 -3.188) 4.829 8.649 ( 2.455 0.202 -1.964) 3.150 8.733 ( 0.596 0.479 -1.154) 1.384 8.788 ( -0.531 0.992 0.813) 1.388 8.871 ( 2.988 4.490 -1.340) 5.557 8.935 ( 1.434 3.825 -3.764) 5.554 8.964 ( 2.984 -0.588 -1.080) 3.228 9.029 ( 1.423 1.130 -4.354) 4.718 9.741 ( 11.817 10.670 4.477) 16.539 9.818 ( 14.134 12.948 4.249) 19.634 9.958 ( -1.916 5.660 9.249) 11.011 10.016 ( 4.138 0.559 6.392) 7.635 10.111 ( 2.581 4.158 4.851) 6.890 10.222 ( 13.872 3.710 2.484) 14.573 10.535 ( 5.877 5.846 3.204) 8.888 10.556 ( 0.078 13.514 1.691) 13.619 10.672 ( 13.639 12.416 -4.549) 18.996 11.057 ( 7.854 3.244 -4.522) 9.626 11.310 ( -1.173 -0.808 -4.937) 5.138 11.385 ( -3.597 -7.440 -6.582) 10.565 11.485 ( -16.448 -17.697 3.066) 24.354 11.657 ( -17.565 -11.586 1.068) 21.069 11.780 ( -9.405 -8.105 9.165) 15.432 11.927 ( -17.238 -19.651 3.807) 26.416 12.836 ( 1.820 2.476 1.083) 3.258 12.924 ( -2.583 -2.160 4.393) 5.535 13.271 ( -0.102 -6.272 28.510) 29.192 13.388 ( -10.345 -5.267 19.885) 23.025 13.634 ( 6.445 -0.605 -0.663) 6.507 13.721 ( -2.887 2.306 -1.513) 3.993 14.727 ( 15.641 7.163 -5.074) 17.936 14.845 ( -0.227 12.439 -9.677) 15.761 15.264 ( 6.844 11.495 -2.754) 13.658 15.300 ( 13.517 5.469 -6.019) 15.776 16.324 ( -3.011 -2.240 -17.003) 17.413 16.408 ( -3.713 -4.080 -16.444) 17.344 17.668 ( -3.750 -3.401 7.584) 9.118 17.848 ( -0.623 -0.598 9.391) 9.430 18.195 ( 2.144 1.705 5.677) 6.303 18.396 ( 0.489 0.742 5.389) 5.461 18.462 ( -1.585 1.293 9.307) 9.529 18.608 ( -2.802 1.446 4.742) 5.695 18.740 ( 2.982 -11.333 -0.463) 11.728 18.910 ( -10.996 -6.448 -3.823) 13.308 19.707 ( 6.522 12.992 -17.190) 22.513 20.099 ( -7.491 -11.743 -15.897) 21.136 20.580 ( 13.678 12.127 -16.134) 24.381 20.909 ( -2.105 3.143 -19.429) 19.794 21.064 ( 3.789 -0.606 6.029) 7.147 21.360 ( -7.238 -6.346 -3.244) 10.158 23.070 ( 3.735 3.648 -3.270) 6.160 23.157 ( -0.443 -0.380 -3.413) 3.462 ======================= Grid point 115 (32/55) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 1.437 -14.557 9.600) 17.497 1.622 ( -1.344 -0.941 12.978) 13.082 1.901 ( 13.912 12.713 -5.455) 19.619 2.031 ( -19.429 7.087 -2.796) 20.869 2.331 ( 7.882 -4.279 3.355) 9.576 2.552 ( -0.834 -11.966 1.297) 12.065 2.734 ( -3.492 -1.106 -1.427) 3.931 2.803 ( 5.582 -1.119 -0.840) 5.755 2.891 ( -3.041 -9.303 0.080) 9.788 3.241 ( -0.163 5.978 6.455) 8.799 3.306 ( 2.022 -1.434 1.284) 2.792 3.403 ( -3.635 -0.266 6.212) 7.202 3.490 ( 1.197 1.871 -6.243) 6.626 3.703 ( -3.140 3.794 4.679) 6.793 3.821 ( 3.198 -6.616 -0.615) 7.374 3.980 ( -4.694 -1.872 -0.249) 5.059 4.154 ( 13.753 -5.977 14.391) 20.784 4.262 ( -8.298 -10.433 11.987) 17.928 4.654 ( -1.973 7.685 2.014) 8.186 4.675 ( 2.041 8.047 -0.301) 8.307 4.720 ( 0.194 3.788 -2.267) 4.419 4.807 ( -1.367 2.525 2.437) 3.766 5.060 ( -0.561 3.606 0.272) 3.660 5.082 ( 2.052 3.161 2.639) 4.601 5.372 ( -0.207 -0.601 -3.872) 3.924 5.542 ( 1.432 7.280 -2.527) 7.838 5.567 ( -3.909 3.604 -3.853) 6.566 5.652 ( 1.106 1.748 -7.068) 7.364 5.692 ( 2.585 1.666 -6.451) 7.147 5.964 ( -1.776 3.848 -3.825) 5.709 6.194 ( 0.062 -7.484 7.542) 10.625 6.383 ( -1.099 -3.087 5.108) 6.069 6.614 ( 3.071 -4.838 2.378) 6.204 6.667 ( -1.940 -8.255 2.758) 8.917 7.195 ( 0.487 0.409 -1.857) 1.963 7.227 ( 3.228 -1.593 -2.064) 4.149 7.253 ( -4.949 -4.706 0.497) 6.847 7.407 ( 1.238 -1.339 -5.177) 5.488 7.929 ( 0.373 -4.211 -7.151) 8.307 7.948 ( 0.085 -2.663 -9.174) 9.553 8.057 ( -2.299 5.694 -0.135) 6.142 8.187 ( 3.827 -0.331 1.972) 4.318 8.227 ( -1.241 1.282 -1.233) 2.169 8.353 ( -1.033 -6.707 -0.749) 6.827 8.602 ( 0.280 3.931 -2.998) 4.952 8.675 ( -0.781 0.441 -3.466) 3.580 8.720 ( 0.208 0.426 -1.824) 1.884 8.792 ( 0.514 0.061 1.542) 1.627 8.925 ( 2.325 5.064 -1.113) 5.683 8.933 ( -1.653 3.876 -3.189) 5.285 9.002 ( -0.636 0.931 -5.236) 5.356 9.031 ( -0.055 1.402 -1.714) 2.215 9.882 ( -1.524 10.878 7.232) 13.151 9.922 ( 0.202 12.977 4.779) 13.830 10.003 ( 3.864 9.802 3.541) 11.116 10.032 ( -1.401 1.121 10.855) 11.002 10.126 ( -0.102 8.406 5.497) 10.044 10.343 ( -4.071 10.354 5.110) 12.243 10.573 ( 0.288 9.201 -0.940) 9.253 10.704 ( 4.497 2.341 1.636) 5.327 10.911 ( 5.576 2.588 -1.329) 6.289 11.132 ( -11.338 4.984 -4.156) 13.063 11.182 ( -0.979 -7.938 -0.438) 8.010 11.265 ( 1.807 -0.831 -4.846) 5.238 11.390 ( -0.459 -10.308 -1.516) 10.429 11.464 ( 5.341 -16.332 -0.619) 17.194 11.658 ( -0.093 -16.378 3.334) 16.715 11.720 ( -1.394 -15.751 4.317) 16.392 12.857 ( 0.232 2.459 3.201) 4.043 12.902 ( 0.245 -0.745 2.252) 2.385 13.237 ( -3.537 -4.675 31.164) 31.711 13.307 ( 3.036 -9.811 25.699) 27.675 13.668 ( -2.690 3.302 -4.354) 6.091 13.726 ( 2.239 -2.646 -0.955) 3.595 14.822 ( -2.657 14.643 -6.784) 16.355 14.930 ( 3.731 4.042 -8.574) 10.186 15.343 ( 0.920 14.979 -3.898) 15.505 15.416 ( -1.842 8.485 -4.109) 9.606 16.297 ( 0.382 -3.803 -17.582) 17.993 16.359 ( -0.224 -3.671 -16.933) 17.327 17.630 ( 0.107 -4.979 7.872) 9.315 17.841 ( 0.010 -0.863 9.686) 9.724 18.217 ( -0.073 -0.040 4.633) 4.634 18.401 ( -0.418 2.511 2.973) 3.914 18.472 ( 2.133 4.503 8.888) 10.190 18.596 ( 1.917 -0.231 8.409) 8.628 18.700 ( -8.214 -8.208 -2.858) 11.959 18.806 ( 3.881 -12.603 -1.816) 13.311 19.877 ( 10.301 1.161 -16.362) 19.369 19.933 ( -9.700 -3.911 -16.125) 19.220 20.777 ( -3.755 13.277 -13.144) 19.056 20.833 ( 4.691 7.146 -20.742) 22.434 21.143 ( -2.209 -3.614 3.961) 5.799 21.243 ( 1.320 -7.048 -4.067) 8.244 23.131 ( -1.972 1.520 -3.252) 4.096 23.132 ( 1.964 1.437 -3.265) 4.073 ======================= Grid point 125 (33/55) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.000 0.000 8.707) 8.707 1.616 ( 0.000 0.000 11.407) 11.407 2.099 ( 0.000 0.000 -6.213) 6.213 2.247 ( -0.000 -0.000 2.029) 2.029 2.247 ( 0.000 -0.000 2.029) 2.029 2.254 ( -0.000 0.000 -10.709) 10.709 2.743 ( 0.000 0.000 3.752) 3.752 2.743 ( 0.000 0.000 3.752) 3.752 2.793 ( 0.000 0.000 -6.638) 6.638 3.241 ( 0.000 0.000 -1.615) 1.615 3.407 ( 0.000 -0.000 2.998) 2.998 3.407 ( 0.000 0.000 2.998) 2.998 3.510 ( 0.000 0.000 -5.261) 5.261 3.665 ( 0.000 0.000 3.464) 3.464 3.929 ( -0.000 -0.000 20.785) 20.785 3.966 ( 0.000 -0.000 0.012) 0.012 3.966 ( 0.000 0.000 0.012) 0.012 4.145 ( 0.000 0.000 17.452) 17.452 4.707 ( 0.000 0.000 7.293) 7.293 4.771 ( 0.000 -0.000 -5.392) 5.392 4.771 ( 0.000 0.000 -5.392) 5.392 4.842 ( 0.000 0.000 8.242) 8.242 5.113 ( 0.000 0.000 -1.034) 1.034 5.113 ( 0.000 0.000 -1.034) 1.034 5.369 ( 0.000 0.000 -2.895) 2.895 5.618 ( 0.000 0.000 -3.813) 3.813 5.618 ( 0.000 0.000 -3.813) 3.813 5.647 ( 0.000 0.000 -8.513) 8.513 5.721 ( 0.000 0.000 -6.843) 6.843 5.995 ( 0.000 0.000 -5.469) 5.469 6.111 ( 0.000 0.000 12.219) 12.219 6.359 ( 0.000 0.000 6.785) 6.785 6.566 ( 0.000 0.000 3.708) 3.708 6.566 ( 0.000 0.000 3.708) 3.708 7.198 ( 0.000 0.000 1.387) 1.387 7.198 ( 0.000 0.000 1.387) 1.387 7.216 ( 0.000 0.000 -3.581) 3.581 7.388 ( 0.000 0.000 -7.479) 7.479 7.885 ( 0.000 0.000 -7.972) 7.972 7.923 ( 0.000 0.000 -10.556) 10.556 8.181 ( 0.000 0.000 2.472) 2.472 8.181 ( 0.000 0.000 2.472) 2.472 8.218 ( -0.000 -0.000 -3.556) 3.556 8.245 ( 0.000 0.000 -0.895) 0.895 8.681 ( 0.000 0.000 -3.503) 3.503 8.681 ( 0.000 0.000 -3.503) 3.503 8.684 ( -0.000 -0.000 -3.731) 3.731 8.795 ( 0.000 0.000 3.363) 3.363 8.965 ( 0.000 0.000 -1.597) 1.597 9.006 ( 0.000 0.000 -6.422) 6.422 9.006 ( 0.000 0.000 -6.422) 6.422 9.032 ( -0.000 0.000 2.676) 2.676 9.997 ( 0.000 0.000 14.149) 14.149 9.997 ( 0.000 0.000 14.149) 14.149 10.073 ( 0.000 0.000 1.789) 1.789 10.145 ( 0.000 0.000 3.971) 3.971 10.215 ( 0.000 0.000 2.306) 2.306 10.479 ( 0.000 0.000 4.058) 4.058 10.728 ( 0.000 0.000 0.644) 0.644 10.802 ( -0.000 0.000 1.122) 1.122 10.967 ( 0.000 0.000 0.978) 0.978 10.967 ( 0.000 0.000 0.978) 0.978 11.214 ( -0.000 -0.000 -4.067) 4.067 11.214 ( -0.000 0.000 -4.067) 4.067 11.254 ( 0.000 -0.000 -3.795) 3.795 11.408 ( -0.000 0.000 0.153) 0.153 11.408 ( 0.000 0.000 0.153) 0.153 11.490 ( 0.000 -0.000 -1.922) 1.922 12.890 ( 0.000 0.000 1.112) 1.112 12.890 ( 0.000 0.000 1.112) 1.112 13.195 ( 0.000 0.000 34.201) 34.201 13.198 ( 0.000 0.000 35.271) 35.271 13.706 ( 0.000 0.000 -4.016) 4.016 13.706 ( 0.000 0.000 -4.016) 4.016 14.972 ( 0.000 0.000 -7.954) 7.954 14.972 ( 0.000 0.000 -7.954) 7.954 15.507 ( 0.000 0.000 -3.949) 3.949 15.507 ( 0.000 0.000 -3.949) 3.949 16.253 ( 0.000 0.000 -18.098) 18.098 16.313 ( 0.000 0.000 -17.740) 17.740 17.575 ( 0.000 0.000 8.052) 8.052 17.829 ( 0.000 0.000 9.903) 9.903 18.217 ( 0.000 0.000 3.749) 3.749 18.489 ( 0.000 0.000 0.182) 0.182 18.560 ( 0.000 0.000 10.811) 10.811 18.566 ( -0.000 -0.000 -0.340) 0.340 18.566 ( 0.000 -0.000 -0.340) 0.340 18.644 ( -0.000 0.000 4.934) 4.934 19.893 ( 0.000 0.000 -15.108) 15.108 19.893 ( 0.000 0.000 -15.108) 15.108 20.910 ( 0.000 0.000 -23.917) 23.917 20.987 ( 0.000 -0.000 -23.945) 23.945 21.098 ( 0.000 0.000 6.324) 6.324 21.098 ( 0.000 0.000 6.324) 6.324 23.147 ( 0.000 0.000 -3.182) 3.182 23.147 ( 0.000 0.000 -3.182) 3.182 ======================= Grid point 147 (34/55) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -0.000 0.000 22.807) 22.807 1.706 ( 0.000 0.000 22.807) 22.807 2.203 ( 0.000 0.000 6.668) 6.668 2.203 ( 0.000 -0.000 6.668) 6.668 2.633 ( 0.000 0.000 26.183) 26.183 2.666 ( 0.000 -0.000 -3.605) 3.605 2.666 ( 0.000 0.000 -3.605) 3.605 3.133 ( 0.000 0.000 8.549) 8.549 3.218 ( 0.000 0.000 -10.844) 10.844 3.218 ( 0.000 -0.000 -10.844) 10.844 3.602 ( 0.000 -0.000 2.271) 2.271 3.761 ( 0.000 -0.000 -0.513) 0.513 3.822 ( 0.000 0.000 9.691) 9.691 3.873 ( 0.000 -0.000 -0.113) 0.113 3.873 ( 0.000 0.000 -0.113) 0.113 4.030 ( 0.000 0.000 -2.852) 2.852 4.030 ( 0.000 -0.000 -2.852) 2.852 4.390 ( 0.000 0.000 5.032) 5.032 4.449 ( 0.000 0.000 1.191) 1.191 4.572 ( 0.000 0.000 -3.167) 3.167 4.572 ( 0.000 0.000 -3.167) 3.167 4.877 ( 0.000 -0.000 -14.321) 14.321 4.902 ( -0.000 0.000 1.372) 1.372 4.902 ( 0.000 -0.000 1.372) 1.372 4.968 ( 0.000 0.000 3.110) 3.110 5.264 ( 0.000 0.000 1.621) 1.621 5.264 ( 0.000 -0.000 1.621) 1.621 5.384 ( 0.000 0.000 10.962) 10.962 5.559 ( 0.000 -0.000 1.161) 1.161 5.559 ( 0.000 0.000 1.161) 1.161 6.284 ( 0.000 0.000 -11.173) 11.173 6.734 ( 0.000 0.000 0.971) 0.971 6.860 ( 0.000 0.000 3.177) 3.177 6.993 ( 0.000 0.000 4.221) 4.221 7.175 ( 0.000 0.000 -14.304) 14.304 7.374 ( 0.000 0.000 -8.136) 8.136 7.684 ( 0.000 0.000 -0.077) 0.077 7.684 ( 0.000 0.000 -0.077) 0.077 7.798 ( -0.000 0.000 -3.943) 3.943 7.798 ( 0.000 0.000 -3.943) 3.943 7.835 ( 0.000 -0.000 -5.682) 5.682 8.154 ( 0.000 0.000 -4.413) 4.413 8.306 ( 0.000 0.000 -4.620) 4.620 8.587 ( 0.000 0.000 2.325) 2.325 8.587 ( -0.000 0.000 2.325) 2.325 8.677 ( 0.000 0.000 1.049) 1.049 8.691 ( 0.000 -0.000 2.571) 2.571 8.691 ( 0.000 0.000 2.571) 2.571 8.776 ( 0.000 0.000 2.249) 2.249 8.847 ( -0.000 0.000 4.233) 4.233 8.984 ( 0.000 0.000 0.493) 0.493 9.012 ( -0.000 0.000 10.254) 10.254 9.012 ( 0.000 0.000 10.254) 10.254 9.179 ( 0.000 0.000 -6.392) 6.392 9.568 ( 0.000 0.000 -5.806) 5.806 9.568 ( 0.000 -0.000 -5.806) 5.806 9.823 ( 0.000 0.000 -3.448) 3.448 9.823 ( 0.000 0.000 -3.448) 3.448 10.186 ( 0.000 0.000 -1.641) 1.641 10.186 ( 0.000 0.000 -1.641) 1.641 10.361 ( 0.000 0.000 9.859) 9.859 10.585 ( 0.000 0.000 10.148) 10.148 11.269 ( 0.000 -0.000 -5.651) 5.651 11.478 ( 0.000 0.000 -11.619) 11.619 12.525 ( 0.000 0.000 24.741) 24.741 12.600 ( 0.000 0.000 4.855) 4.855 12.600 ( -0.000 0.000 4.855) 4.855 12.891 ( -0.000 0.000 -4.603) 4.603 12.891 ( 0.000 0.000 -4.603) 4.603 13.091 ( 0.000 0.000 2.920) 2.920 13.215 ( 0.000 0.000 -3.803) 3.803 13.655 ( 0.000 0.000 -4.930) 4.930 13.893 ( 0.000 -0.000 3.532) 3.532 13.893 ( 0.000 0.000 3.532) 3.532 14.152 ( 0.000 0.000 -2.905) 2.905 14.152 ( 0.000 0.000 -2.905) 2.905 14.463 ( -0.000 0.000 23.036) 23.036 14.991 ( 0.000 0.000 11.900) 11.900 16.169 ( 0.000 0.000 -17.595) 17.595 16.251 ( 0.000 0.000 -20.072) 20.072 17.948 ( 0.000 0.000 5.769) 5.769 18.082 ( 0.000 0.000 8.870) 8.870 18.082 ( 0.000 0.000 8.870) 8.870 18.141 ( 0.000 -0.000 5.004) 5.004 18.868 ( 0.000 -0.000 -3.385) 3.385 18.868 ( 0.000 0.000 -3.385) 3.385 18.990 ( 0.000 0.000 16.767) 16.767 18.990 ( 0.000 0.000 16.767) 16.767 19.104 ( 0.000 0.000 -4.985) 4.985 19.590 ( 0.000 0.000 -6.727) 6.727 20.621 ( 0.000 0.000 -18.870) 18.870 20.621 ( 0.000 0.000 -18.870) 18.870 20.942 ( 0.000 0.000 8.980) 8.980 21.606 ( 0.000 -0.000 -5.758) 5.758 22.754 ( 0.000 0.000 1.281) 1.281 23.081 ( 0.000 0.000 -5.886) 5.886 ======================= Grid point 148 (35/55) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -3.793 0.245 20.541) 20.890 1.746 ( 3.890 -1.053 21.926) 22.293 2.191 ( -1.922 3.364 6.422) 7.500 2.215 ( 0.017 -2.696 5.102) 5.771 2.620 ( -2.111 -0.352 4.394) 4.888 2.663 ( 0.394 -1.010 -0.627) 1.252 2.723 ( 3.553 0.638 9.971) 10.604 3.066 ( -4.215 -0.796 0.725) 4.351 3.107 ( -7.104 2.681 -3.977) 8.572 3.235 ( -2.413 -4.074 -1.482) 4.961 3.561 ( -7.675 -0.419 0.823) 7.730 3.574 ( -3.775 5.990 0.356) 7.090 3.834 ( -4.265 3.339 0.319) 5.426 3.857 ( 2.045 -1.228 2.164) 3.221 3.986 ( 0.286 2.914 -0.365) 2.951 4.008 ( -1.221 -6.191 -1.243) 6.431 4.089 ( 6.700 -4.032 0.362) 7.828 4.342 ( -1.843 -2.206 3.159) 4.271 4.364 ( -1.387 3.599 1.202) 4.040 4.573 ( -2.201 3.566 3.368) 5.376 4.631 ( -0.768 -3.688 -7.404) 8.307 4.804 ( 3.714 5.335 0.482) 6.518 4.889 ( -2.774 -2.073 3.953) 5.256 4.986 ( 7.940 -2.686 -3.435) 9.058 5.089 ( 8.436 0.446 -2.332) 8.763 5.302 ( 4.044 -5.025 2.754) 7.013 5.375 ( 5.815 4.245 -0.111) 7.201 5.406 ( -1.265 1.648 1.710) 2.691 5.545 ( -1.174 -2.324 0.425) 2.638 5.647 ( 8.466 1.542 0.787) 8.642 6.305 ( 2.289 -0.158 -7.418) 7.764 6.700 ( -3.328 0.940 0.422) 3.484 6.826 ( -2.887 -0.726 2.992) 4.221 6.990 ( -0.027 0.039 2.289) 2.289 7.110 ( -5.944 -0.069 -11.713) 13.135 7.314 ( -4.219 0.231 -4.522) 6.189 7.591 ( -9.103 0.453 -2.316) 9.404 7.703 ( -3.698 -0.180 -1.516) 4.001 7.756 ( 3.593 -1.053 -1.603) 4.073 7.871 ( 6.290 -0.261 -4.609) 7.802 7.926 ( 2.978 1.362 -7.168) 7.881 8.087 ( -1.205 -0.314 -2.583) 2.868 8.234 ( -4.142 -0.618 -3.570) 5.503 8.601 ( -3.015 0.017 1.837) 3.531 8.614 ( -6.094 0.553 2.712) 6.693 8.638 ( 0.407 0.537 0.868) 1.099 8.666 ( 2.445 0.999 1.951) 3.283 8.715 ( 1.346 -1.278 3.452) 3.919 8.788 ( 2.041 -1.842 0.402) 2.779 8.834 ( 0.549 2.013 3.357) 3.953 8.908 ( -5.993 -2.501 0.317) 6.502 8.961 ( -1.541 0.875 0.097) 1.774 9.178 ( 13.515 0.835 7.597) 15.526 9.318 ( 9.273 1.392 1.338) 9.471 9.617 ( 4.175 0.195 -4.446) 6.102 9.752 ( 7.933 -0.918 -3.225) 8.613 9.857 ( 9.611 -0.840 -2.160) 9.886 9.976 ( 14.038 -1.254 -2.028) 14.239 10.193 ( 2.603 3.811 -1.244) 4.780 10.323 ( 12.857 -2.896 -1.189) 13.233 10.416 ( 5.365 0.362 7.496) 9.225 10.596 ( 1.607 0.217 7.812) 7.979 11.251 ( -1.728 0.043 -5.932) 6.179 11.423 ( -5.168 0.189 -11.307) 12.434 12.360 ( -12.890 0.653 12.504) 17.970 12.406 ( -15.916 -3.424 3.148) 16.582 12.680 ( -2.612 3.195 5.195) 6.635 12.708 ( -10.622 0.053 9.172) 14.034 12.852 ( -7.253 -0.419 -0.356) 7.274 13.111 ( 4.676 1.318 -5.803) 7.568 13.192 ( -5.369 -0.579 -0.147) 5.402 13.545 ( -1.018 0.198 -4.419) 4.539 13.936 ( 3.989 -3.493 5.827) 7.879 14.045 ( 11.085 2.777 3.361) 11.911 14.138 ( -0.317 2.926 3.975) 4.946 14.375 ( 11.996 -9.439 8.025) 17.245 14.538 ( 9.551 6.324 4.326) 12.245 15.001 ( 0.774 -0.063 9.544) 9.575 16.130 ( -3.551 -0.342 -17.994) 18.345 16.216 ( -3.318 0.161 -19.943) 20.218 17.944 ( -0.146 -0.270 5.878) 5.886 18.034 ( -2.463 -4.957 6.462) 8.508 18.147 ( 5.240 9.739 3.824) 11.702 18.298 ( 12.739 -4.714 7.844) 15.686 18.840 ( -2.762 4.866 -5.038) 7.530 18.852 ( -3.769 -2.545 2.096) 5.007 18.946 ( -1.662 0.623 19.096) 19.178 18.978 ( 0.837 -2.633 8.565) 9.000 19.087 ( -1.801 -0.355 -4.086) 4.480 19.715 ( 11.093 0.172 -8.652) 14.069 20.433 ( -15.838 1.567 -16.776) 23.124 20.572 ( -4.821 -1.734 -18.000) 18.715 21.039 ( 6.945 0.351 5.652) 8.961 21.564 ( -4.074 -0.055 -4.522) 6.087 22.807 ( 4.876 0.004 0.531) 4.905 23.081 ( -0.078 -0.003 -5.430) 5.430 ======================= Grid point 149 (36/55) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 2.880 -1.777 13.128) 13.557 1.854 ( 6.705 -1.665 18.993) 20.210 2.064 ( -11.302 -0.763 1.527) 11.431 2.168 ( -4.701 6.018 7.578) 10.758 2.572 ( -1.192 -0.052 -0.555) 1.316 2.694 ( 3.383 -6.323 2.378) 7.555 2.788 ( -0.167 3.087 5.100) 5.964 2.867 ( -8.720 -2.328 6.150) 10.921 3.095 ( 0.516 8.533 -4.477) 9.650 3.133 ( -5.069 -9.348 0.279) 10.638 3.469 ( -0.857 6.047 1.673) 6.332 3.554 ( -1.203 -3.584 0.117) 3.782 3.715 ( -4.771 7.547 1.427) 9.042 3.848 ( -4.993 -2.792 5.005) 7.601 3.922 ( -1.212 9.031 -4.717) 10.260 4.033 ( 1.201 -10.766 -2.735) 11.173 4.150 ( 0.802 -8.155 0.106) 8.195 4.339 ( -3.903 7.895 -0.888) 8.852 4.484 ( 13.799 -2.901 12.984) 19.168 4.553 ( 4.137 1.453 -6.147) 7.551 4.643 ( 1.627 1.847 0.073) 2.462 4.842 ( -1.109 3.147 2.693) 4.288 4.945 ( 6.523 -5.857 4.758) 9.974 5.154 ( 7.263 -0.086 -4.931) 8.779 5.185 ( 0.699 -2.948 1.557) 3.406 5.289 ( -5.019 3.709 0.976) 6.317 5.371 ( -0.409 0.312 3.080) 3.122 5.456 ( -3.563 0.179 -5.149) 6.264 5.544 ( 6.444 -2.969 -1.092) 7.179 5.773 ( 1.702 2.594 -3.648) 4.789 6.384 ( 5.854 -0.920 -0.067) 5.926 6.622 ( -4.224 3.947 1.665) 6.016 6.768 ( -2.068 -3.268 0.394) 3.887 6.931 ( -7.676 0.328 -6.982) 10.381 7.055 ( 3.396 0.121 -1.109) 3.575 7.260 ( -1.226 0.291 -1.257) 1.780 7.398 ( -8.679 1.082 -3.601) 9.458 7.541 ( -10.303 -1.286 -1.160) 10.448 7.854 ( 4.792 -1.448 -5.238) 7.245 7.952 ( 1.324 2.638 -4.987) 5.795 8.002 ( 6.220 0.742 -2.067) 6.597 8.147 ( 2.918 -2.872 -2.740) 4.927 8.232 ( 4.236 0.435 -1.962) 4.689 8.470 ( -4.989 -1.027 1.775) 5.394 8.490 ( -6.557 -0.701 -2.434) 7.029 8.666 ( -4.286 5.242 -0.586) 6.797 8.676 ( 1.648 -0.491 1.263) 2.133 8.715 ( -1.377 -0.877 2.419) 2.918 8.820 ( 1.872 -1.809 0.900) 2.755 8.839 ( 0.165 -2.098 0.349) 2.133 8.866 ( 1.232 -0.242 1.159) 1.709 8.930 ( -1.632 1.758 -0.317) 2.420 9.436 ( 10.845 3.595 3.556) 11.966 9.491 ( 7.631 1.020 1.670) 7.878 9.677 ( 0.717 -3.165 -0.772) 3.336 9.743 ( -3.518 -1.005 -2.024) 4.181 10.165 ( 14.846 0.171 4.556) 15.530 10.285 ( 9.329 0.807 6.291) 11.281 10.357 ( 16.545 0.260 -0.848) 16.569 10.494 ( 6.165 -1.839 6.604) 9.220 10.677 ( 14.379 -0.888 2.271) 14.584 10.708 ( 13.339 0.930 -6.186) 14.733 11.199 ( -3.680 0.278 -6.647) 7.603 11.285 ( -8.929 0.558 -10.325) 13.662 12.009 ( -17.794 2.027 1.927) 18.012 12.110 ( -15.939 -3.952 1.964) 16.539 12.343 ( -13.086 -1.931 9.062) 16.034 12.547 ( -18.905 3.302 1.181) 19.228 12.812 ( 6.462 1.365 5.679) 8.710 13.077 ( -5.731 -0.577 7.762) 9.666 13.262 ( 9.465 2.086 -7.000) 11.956 13.556 ( -1.790 -0.359 -5.149) 5.463 14.013 ( 3.844 -4.012 11.430) 12.709 14.149 ( -0.185 1.451 15.248) 15.318 14.271 ( 11.838 6.265 1.763) 13.509 14.500 ( 2.710 -12.676 12.578) 18.062 14.791 ( 11.710 8.117 -7.524) 16.113 15.007 ( -0.608 -0.673 4.160) 4.258 16.060 ( -2.582 -1.349 -19.555) 19.771 16.133 ( -4.607 0.734 -19.981) 20.518 17.946 ( 0.426 -0.563 6.307) 6.347 17.992 ( -1.798 -2.599 6.600) 7.318 18.270 ( 7.291 7.465 2.266) 10.678 18.526 ( 6.983 -6.398 9.166) 13.180 18.683 ( -8.501 -2.620 4.328) 9.893 18.802 ( -3.464 7.581 9.324) 12.506 18.923 ( 0.346 5.287 4.191) 6.755 19.031 ( -3.182 -1.887 -4.092) 5.516 19.167 ( 17.604 -8.033 -5.312) 20.066 19.965 ( 11.676 0.452 -12.226) 16.912 20.062 ( -19.546 3.547 -16.516) 25.834 20.437 ( -8.762 -2.519 -15.781) 18.225 21.176 ( 6.969 0.754 3.744) 7.947 21.455 ( -6.613 -0.329 -1.773) 6.854 22.920 ( 5.867 0.018 -1.047) 5.960 23.069 ( -1.379 -0.014 -4.256) 4.474 ======================= Grid point 150 (37/55) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -7.130 -1.614 4.464) 8.566 1.785 ( 7.130 1.614 4.464) 8.566 2.035 ( 7.926 -6.933 13.885) 17.427 2.035 ( -7.926 6.933 13.885) 17.427 2.618 ( -6.129 -2.905 -2.394) 7.193 2.618 ( 6.129 2.905 -2.394) 7.193 2.810 ( 3.934 -4.998 7.271) 9.661 2.810 ( -3.934 4.998 7.271) 9.661 3.090 ( 0.397 -10.936 -1.603) 11.060 3.090 ( -0.397 10.936 -1.603) 11.060 3.501 ( -3.133 -4.155 0.127) 5.206 3.501 ( 3.133 4.155 0.127) 5.206 3.714 ( -4.854 -4.585 5.190) 8.457 3.714 ( 4.854 4.585 5.190) 8.457 3.986 ( -4.739 -10.573 -4.599) 12.465 3.986 ( 4.739 10.573 -4.599) 12.465 4.225 ( 1.009 -11.238 -1.796) 11.425 4.225 ( -1.009 11.238 -1.796) 11.425 4.641 ( 2.206 -1.990 -0.987) 3.131 4.641 ( -2.206 1.990 -0.987) 3.131 4.755 ( -5.486 -6.543 8.920) 12.348 4.755 ( 5.486 6.543 8.920) 12.348 5.067 ( 2.712 -6.070 3.958) 7.737 5.067 ( -2.712 6.070 3.958) 7.737 5.294 ( -4.629 -3.234 -3.845) 6.832 5.294 ( 4.629 3.234 -3.845) 6.832 5.333 ( 3.354 -3.997 -1.567) 5.448 5.333 ( -3.354 3.997 -1.567) 5.448 5.704 ( -6.257 1.801 -2.451) 6.957 5.704 ( 6.257 -1.801 -2.451) 6.957 6.517 ( -6.217 2.705 2.752) 7.317 6.517 ( 6.217 -2.705 2.752) 7.317 6.793 ( -3.128 1.051 -3.621) 4.900 6.793 ( 3.128 -1.051 -3.621) 4.900 7.171 ( -7.296 -0.804 -2.805) 7.858 7.171 ( 7.296 0.804 -2.805) 7.858 7.371 ( -5.538 -2.407 -0.930) 6.109 7.371 ( 5.538 2.407 -0.930) 6.109 7.934 ( -1.310 0.079 -6.475) 6.607 7.934 ( 1.310 -0.079 -6.475) 6.607 8.127 ( -4.452 -3.103 1.253) 5.570 8.127 ( 4.452 3.103 1.253) 5.570 8.335 ( -2.781 -4.441 -2.035) 5.622 8.335 ( 2.781 4.441 -2.035) 5.622 8.529 ( 7.479 -6.619 -3.472) 10.574 8.529 ( -7.479 6.619 -3.472) 10.574 8.697 ( -0.351 -1.403 1.835) 2.336 8.697 ( 0.351 1.403 1.835) 2.336 8.847 ( -0.096 -2.665 1.574) 3.096 8.847 ( 0.096 2.665 1.574) 3.096 8.894 ( 1.826 -2.847 -0.195) 3.388 8.894 ( -1.826 2.847 -0.195) 3.388 9.578 ( -1.635 -5.638 0.843) 5.930 9.578 ( 1.635 5.638 0.843) 5.930 9.669 ( -0.805 -1.169 0.036) 1.420 9.669 ( 0.805 1.169 0.036) 1.420 10.341 ( -1.280 -0.382 12.045) 12.119 10.341 ( 1.280 0.382 12.045) 12.119 10.596 ( -1.922 -4.414 -1.172) 4.955 10.596 ( 1.922 4.414 -1.172) 4.955 10.888 ( -3.704 -1.421 -1.373) 4.199 10.888 ( 3.704 1.421 -1.373) 4.199 11.132 ( -0.835 0.124 -8.402) 8.445 11.132 ( 0.835 -0.124 -8.402) 8.445 11.854 ( -4.912 -2.239 -0.053) 5.398 11.854 ( 4.912 2.239 -0.053) 5.398 12.268 ( 3.482 -4.911 2.927) 6.694 12.268 ( -3.482 4.911 2.927) 6.694 12.949 ( -6.365 -1.665 8.609) 10.835 12.949 ( 6.365 1.665 8.609) 10.835 13.447 ( -8.347 -1.719 -6.395) 10.655 13.447 ( 8.347 1.719 -6.395) 10.655 14.099 ( -0.642 -12.560 15.676) 20.097 14.099 ( 0.642 12.560 15.676) 20.097 14.468 ( -5.642 -10.998 6.644) 14.033 14.468 ( 5.642 10.998 6.644) 14.033 14.955 ( -4.191 -5.215 -2.105) 7.013 14.955 ( 4.191 5.215 -2.105) 7.013 16.057 ( 0.595 -1.251 -20.397) 20.444 16.057 ( -0.595 1.251 -20.397) 20.444 17.962 ( -0.308 -3.368 6.708) 7.513 17.962 ( 0.308 3.368 6.708) 7.513 18.437 ( -9.010 -5.433 4.461) 11.428 18.437 ( 9.010 5.433 4.461) 11.428 18.705 ( 5.608 -5.393 11.572) 13.944 18.705 ( -5.608 5.393 11.572) 13.944 18.964 ( -3.173 -4.610 -2.698) 6.213 18.964 ( 3.173 4.610 -2.698) 6.213 19.600 ( -22.681 4.024 -15.627) 27.835 19.600 ( 22.681 -4.024 -15.627) 27.835 20.231 ( -11.981 -2.214 -13.214) 17.974 20.231 ( 11.981 2.214 -13.214) 17.974 21.316 ( -7.086 -0.809 1.233) 7.238 21.316 ( 7.086 0.809 1.233) 7.238 23.018 ( -3.868 -0.023 -2.719) 4.728 23.018 ( 3.868 0.023 -2.719) 4.728 ======================= Grid point 155 (38/55) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -1.626 -1.354 20.065) 20.176 1.712 ( -1.851 0.441 18.199) 18.298 2.116 ( -3.402 -5.203 6.122) 8.725 2.263 ( 0.347 -1.206 3.178) 3.417 2.616 ( -1.096 -0.320 3.336) 3.526 2.664 ( -3.099 0.884 -5.023) 5.968 2.751 ( 4.150 2.465 12.030) 12.962 3.012 ( -4.053 -8.635 -0.862) 9.578 3.103 ( -12.085 2.060 5.194) 13.314 3.151 ( 4.691 -1.788 -3.760) 6.272 3.467 ( -4.464 -9.793 0.209) 10.764 3.663 ( 4.922 -7.339 -3.744) 9.597 3.703 ( -10.967 -1.280 4.168) 11.802 3.835 ( 3.643 -3.567 -0.150) 5.101 3.902 ( -3.495 -1.602 1.511) 4.131 4.039 ( -4.886 0.725 1.503) 5.163 4.165 ( -1.041 6.717 -8.118) 10.588 4.280 ( -0.468 2.118 4.924) 5.381 4.403 ( 6.319 1.129 3.413) 7.270 4.610 ( 1.651 0.489 -1.064) 2.024 4.668 ( 4.867 -7.561 2.599) 9.360 4.775 ( -2.697 11.913 6.460) 13.818 4.960 ( 9.134 0.901 -0.765) 9.210 5.081 ( 2.643 6.796 -2.738) 7.789 5.116 ( 3.659 6.060 -3.992) 8.127 5.246 ( -2.177 -0.496 3.963) 4.548 5.400 ( 0.065 -2.323 -1.304) 2.665 5.483 ( 5.806 4.919 -0.845) 7.656 5.595 ( -2.808 4.830 -0.891) 5.658 5.678 ( 8.920 1.478 -1.299) 9.134 6.314 ( 1.113 1.614 -3.327) 3.862 6.667 ( -1.972 -4.941 -0.301) 5.329 6.792 ( -4.032 -1.532 3.366) 5.471 6.996 ( 0.896 0.725 0.901) 1.463 7.051 ( -5.516 -5.422 -9.182) 12.005 7.278 ( -2.495 -3.107 -2.579) 4.747 7.519 ( -6.512 -7.294 -3.779) 10.483 7.671 ( -5.114 -4.263 -1.949) 6.937 7.783 ( 2.399 4.433 0.064) 5.041 7.871 ( 1.617 0.488 -6.014) 6.247 7.944 ( 0.038 -1.744 -6.360) 6.595 8.104 ( 3.508 4.254 -3.890) 6.748 8.162 ( -4.658 -3.171 -2.567) 6.192 8.542 ( -5.695 -5.481 3.449) 8.624 8.581 ( -1.489 -3.796 0.731) 4.143 8.675 ( 2.027 1.780 2.288) 3.538 8.707 ( 2.925 2.917 0.802) 4.208 8.764 ( -3.594 0.831 4.707) 5.981 8.775 ( 4.496 2.324 -0.548) 5.090 8.823 ( -1.316 -0.482 1.063) 1.759 8.866 ( 0.538 0.510 -2.797) 2.894 8.971 ( -0.511 -1.012 0.249) 1.161 9.345 ( 13.196 12.531 6.477) 19.316 9.407 ( 9.885 6.898 2.076) 12.231 9.775 ( 11.794 6.309 -4.755) 14.196 9.827 ( 5.119 12.135 0.444) 13.178 9.932 ( 5.628 5.110 -0.593) 7.625 10.015 ( 4.925 11.638 -1.833) 12.769 10.239 ( 8.744 -1.534 1.314) 8.974 10.399 ( 5.181 12.969 -0.994) 14.001 10.468 ( 5.314 4.160 6.455) 9.339 10.611 ( 2.942 1.895 3.952) 5.279 11.239 ( -1.120 -1.289 -6.062) 6.298 11.382 ( -3.712 -4.283 -11.156) 12.513 12.210 ( -12.484 -12.461 7.964) 19.353 12.267 ( -16.388 -11.994 1.615) 20.373 12.515 ( -15.479 -17.047 8.417) 24.516 12.682 ( -5.537 -9.258 9.224) 14.193 12.771 ( -2.887 -1.836 -2.397) 4.178 13.123 ( -0.535 -1.568 -1.772) 2.426 13.209 ( 4.987 3.482 -1.257) 6.210 13.566 ( 2.276 1.739 -3.657) 4.645 13.904 ( -2.021 4.270 9.800) 10.879 14.131 ( 4.287 -4.828 15.826) 17.092 14.243 ( 11.584 9.749 3.358) 15.508 14.395 ( -2.284 12.964 0.936) 13.197 14.698 ( 16.669 8.571 -1.702) 18.821 15.025 ( 2.144 2.369 7.000) 7.695 16.092 ( -3.903 -2.891 -18.470) 19.098 16.191 ( -2.482 -2.908 -19.745) 20.111 17.917 ( -2.712 -1.269 6.037) 6.739 18.008 ( -2.882 0.990 4.947) 5.810 18.212 ( 10.589 -3.088 5.669) 12.401 18.376 ( 2.595 11.847 4.950) 13.099 18.736 ( -3.406 -4.793 -1.410) 6.047 18.849 ( -4.085 -7.867 7.659) 11.715 18.938 ( -0.213 -3.178 16.763) 17.063 19.039 ( 3.311 7.921 -3.441) 9.249 19.061 ( -1.765 1.783 -0.296) 2.526 19.814 ( 9.455 8.905 -10.497) 16.700 20.283 ( -11.347 -13.913 -15.756) 23.887 20.568 ( -3.593 -0.863 -19.319) 19.669 21.078 ( 4.090 3.202 5.705) 7.716 21.525 ( -3.892 -3.693 -3.606) 6.464 22.853 ( 4.266 4.252 0.010) 6.023 23.084 ( 0.146 0.155 -5.002) 5.007 ======================= Grid point 156 (39/55) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 0.112 -0.279 10.420) 10.424 1.745 ( 3.510 -7.727 17.310) 19.279 2.017 ( -7.261 -3.485 5.502) 9.754 2.235 ( -3.134 -2.059 3.150) 4.897 2.540 ( -7.150 -3.869 6.998) 10.727 2.609 ( -0.385 -0.337 -5.647) 5.670 2.787 ( -3.975 -3.837 1.850) 5.827 2.921 ( 0.714 8.676 4.655) 9.872 2.951 ( -3.122 -7.441 -0.183) 8.071 3.251 ( 3.925 4.311 -5.220) 7.825 3.399 ( -2.076 -12.348 3.570) 13.020 3.500 ( -7.752 -2.687 6.734) 10.614 3.677 ( -2.522 -12.666 -8.995) 15.739 3.835 ( -5.793 3.453 5.513) 8.710 3.908 ( -5.136 -3.055 4.946) 7.757 3.949 ( 6.360 -0.586 -1.701) 6.609 4.141 ( 0.531 7.002 -6.349) 9.467 4.390 ( 10.881 -0.961 1.149) 10.983 4.557 ( -0.995 10.811 4.317) 11.683 4.621 ( 6.834 0.934 1.031) 6.974 4.716 ( 2.611 2.928 7.446) 8.416 4.779 ( 0.038 -0.252 7.254) 7.259 5.070 ( -0.257 9.860 3.255) 10.387 5.121 ( -0.737 -4.305 3.206) 5.418 5.187 ( 8.456 4.307 -8.716) 12.885 5.301 ( 3.003 -0.330 0.173) 3.026 5.374 ( -1.818 1.408 -3.909) 4.535 5.514 ( -1.098 1.389 -2.765) 3.283 5.567 ( 0.596 4.932 -1.143) 5.098 5.808 ( 2.149 0.939 -6.388) 6.805 6.367 ( 4.223 -0.293 4.218) 5.976 6.644 ( 0.211 -6.375 -0.298) 6.385 6.682 ( -6.350 -0.024 3.920) 7.463 6.906 ( -7.521 -3.123 -5.094) 9.606 7.057 ( 4.778 0.383 -2.661) 5.483 7.236 ( -2.299 -2.386 0.018) 3.314 7.386 ( -5.254 -2.412 -3.689) 6.858 7.496 ( -10.364 -3.616 -1.856) 11.133 7.843 ( 2.504 0.616 -4.101) 4.844 7.907 ( 0.294 -6.579 -5.568) 8.624 7.971 ( 3.986 -4.184 -5.012) 7.650 8.107 ( 1.447 0.838 -1.201) 2.059 8.217 ( 3.975 0.506 -3.112) 5.074 8.420 ( -5.525 -1.600 -0.058) 5.752 8.544 ( -2.463 2.476 1.339) 3.740 8.677 ( -0.374 -1.853 0.410) 1.934 8.729 ( -0.424 0.483 4.290) 4.338 8.740 ( -1.597 2.151 -1.987) 3.336 8.782 ( 0.769 1.782 0.524) 2.010 8.854 ( 2.559 2.084 0.662) 3.366 8.899 ( 0.574 3.405 -1.796) 3.892 8.965 ( 0.373 1.080 -0.718) 1.350 9.567 ( 6.967 7.887 0.677) 10.545 9.629 ( 11.599 13.950 5.171) 18.865 9.840 ( -1.559 12.052 -0.351) 12.158 9.871 ( -1.306 17.294 -0.088) 17.343 10.176 ( 13.584 1.240 5.076) 14.554 10.247 ( 16.296 -2.567 1.996) 16.618 10.427 ( 5.769 4.038 6.245) 9.412 10.505 ( 7.014 4.609 6.316) 10.504 10.648 ( 14.646 -1.895 1.196) 14.816 10.779 ( 12.363 5.907 -8.326) 16.033 11.204 ( -2.796 0.158 -5.967) 6.592 11.276 ( -7.460 -1.630 -10.696) 13.142 11.907 ( -17.105 -12.989 2.072) 21.578 11.921 ( -15.164 -12.682 1.628) 19.835 12.178 ( -15.876 -13.125 6.185) 21.507 12.390 ( -16.877 -17.568 1.953) 24.439 12.832 ( 5.037 1.313 4.521) 6.895 13.074 ( -4.248 -0.706 6.907) 8.139 13.366 ( 8.750 6.069 -4.704) 11.641 13.572 ( -2.894 1.733 -5.536) 6.482 13.895 ( 1.324 -2.196 19.725) 19.891 14.205 ( 2.496 -10.890 23.049) 25.614 14.380 ( 2.956 16.222 -0.726) 16.505 14.496 ( 10.428 9.353 1.289) 14.067 14.972 ( 7.594 9.195 -6.575) 13.618 15.082 ( 4.320 7.507 2.813) 9.107 16.008 ( -3.411 -3.300 -20.381) 20.926 16.121 ( -4.126 -2.247 -19.534) 20.091 17.875 ( -0.883 -4.049 5.791) 7.121 17.989 ( 0.121 0.239 5.278) 5.284 18.384 ( 3.465 -2.381 9.550) 10.435 18.411 ( 3.133 0.383 1.614) 3.545 18.638 ( -5.067 -0.600 6.978) 8.644 18.848 ( 2.241 -7.200 -0.346) 7.549 18.898 ( -2.570 -2.431 9.345) 9.993 18.950 ( -6.794 -5.347 -1.577) 8.788 19.221 ( 13.641 11.908 -4.186) 18.585 19.985 ( -7.610 -3.685 -14.742) 16.995 20.081 ( 5.642 3.275 -14.325) 15.740 20.445 ( -8.292 2.871 -18.123) 20.136 21.180 ( 5.852 -0.400 3.988) 7.093 21.419 ( -6.498 -3.140 -1.245) 7.324 22.952 ( 5.153 2.967 -1.201) 6.067 23.078 ( -0.977 0.777 -3.914) 4.108 ======================= Grid point 157 (40/55) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 5.252 -5.877 -0.063) 7.882 1.797 ( 1.503 -7.143 6.850) 10.010 1.913 ( 1.174 0.512 15.793) 15.845 2.060 ( -12.554 -3.194 9.423) 16.019 2.499 ( 4.038 -7.553 1.156) 8.642 2.655 ( 4.226 1.943 -2.603) 5.330 2.742 ( 1.203 -4.556 -2.288) 5.239 2.876 ( -3.353 -3.370 2.793) 5.514 2.989 ( 2.316 3.637 2.280) 4.878 3.288 ( -0.587 5.470 -1.548) 5.715 3.348 ( -4.343 -6.676 6.290) 10.149 3.459 ( 3.506 -7.670 1.148) 8.511 3.625 ( -0.250 -11.308 -1.822) 11.457 3.704 ( -4.489 2.086 3.455) 6.037 3.862 ( -0.868 -1.520 0.259) 1.770 4.040 ( 1.873 -2.906 -1.545) 3.786 4.221 ( 7.003 9.738 -4.471) 12.801 4.400 ( -6.675 6.422 -5.809) 10.933 4.625 ( 2.171 0.080 4.048) 4.594 4.689 ( -3.657 0.992 11.851) 12.442 4.718 ( -3.211 4.587 6.772) 8.787 4.829 ( 8.055 -2.160 6.950) 10.855 5.046 ( -0.636 6.674 3.281) 7.464 5.110 ( -0.900 -2.022 3.001) 3.729 5.283 ( -0.395 0.769 -5.711) 5.776 5.331 ( -0.424 4.073 -5.194) 6.614 5.377 ( 4.525 4.785 -5.214) 8.400 5.457 ( -3.834 7.137 -0.467) 8.115 5.635 ( 5.193 -4.670 -3.216) 7.689 5.767 ( -4.947 4.017 -4.665) 7.898 6.453 ( 3.856 -2.808 5.916) 7.600 6.529 ( -7.467 -2.015 3.538) 8.505 6.729 ( 6.962 -3.546 -0.961) 7.872 6.792 ( -3.141 -2.029 -1.928) 4.207 7.146 ( -6.006 -1.360 -1.396) 6.315 7.181 ( 7.083 0.111 -4.929) 8.630 7.315 ( -5.421 -2.940 -0.943) 6.238 7.390 ( 3.830 -1.213 -1.359) 4.241 7.872 ( 0.019 -5.106 -7.535) 9.102 7.896 ( -0.007 -5.150 -6.460) 8.262 8.032 ( -0.917 -4.260 0.140) 4.360 8.161 ( 1.512 0.228 -1.551) 2.178 8.252 ( 3.382 -1.709 2.180) 4.372 8.330 ( -4.685 -1.219 -4.485) 6.599 8.542 ( 2.664 4.519 -2.135) 5.664 8.660 ( -3.607 3.042 -1.599) 4.982 8.682 ( 0.270 0.303 -0.260) 0.482 8.739 ( 0.759 1.445 4.297) 4.597 8.825 ( 2.041 1.178 -0.262) 2.371 8.882 ( -1.791 1.986 -1.728) 3.184 8.894 ( 1.864 1.641 0.885) 2.636 8.965 ( -1.145 3.603 -0.382) 3.800 9.624 ( -0.625 10.858 0.129) 10.876 9.735 ( -7.485 10.621 0.403) 13.000 9.803 ( 5.363 12.945 1.740) 14.119 9.894 ( 2.971 19.047 2.101) 19.392 10.324 ( 0.464 -0.678 13.448) 13.473 10.364 ( -2.838 1.455 9.192) 9.729 10.528 ( -0.013 -2.099 0.571) 2.175 10.691 ( 4.500 4.827 0.830) 6.652 10.873 ( -2.350 -0.123 -0.692) 2.453 10.938 ( 2.585 3.689 -3.977) 6.009 11.132 ( -1.372 0.150 -8.715) 8.823 11.135 ( -1.293 0.103 -7.289) 7.404 11.687 ( -3.643 -13.766 0.536) 14.250 11.758 ( 3.945 -11.551 -0.267) 12.208 12.025 ( 3.029 -16.583 0.503) 16.864 12.164 ( -3.306 -15.442 3.518) 16.179 12.924 ( -0.269 -0.141 6.771) 6.777 12.987 ( 0.224 0.788 6.147) 6.202 13.458 ( -7.401 2.661 -7.789) 11.069 13.515 ( 5.378 3.994 -2.708) 7.225 13.938 ( 2.666 -3.376 27.277) 27.614 14.204 ( -2.934 -10.729 23.138) 25.672 14.433 ( 1.149 15.335 1.373) 15.439 14.655 ( 4.432 7.402 -4.629) 9.791 14.991 ( -3.356 9.415 -2.368) 10.272 15.139 ( -0.810 11.339 -2.194) 11.578 15.997 ( 2.251 -4.124 -20.968) 21.488 16.057 ( -1.385 -1.881 -19.823) 19.960 17.879 ( 0.920 -4.868 6.507) 8.178 18.001 ( 1.031 0.163 6.457) 6.541 18.336 ( -6.677 -3.499 2.804) 8.043 18.483 ( 5.354 -2.232 3.963) 7.025 18.637 ( 2.442 -0.790 9.221) 9.572 18.790 ( -5.320 1.767 10.375) 11.792 18.827 ( -3.661 -6.005 3.901) 8.042 18.932 ( 3.225 -7.459 -5.659) 9.903 19.558 ( 17.886 1.923 -11.669) 21.442 19.687 ( -15.597 1.829 -13.065) 20.428 20.254 ( -10.743 4.841 -15.850) 19.750 20.311 ( 11.402 5.165 -16.633) 20.817 21.278 ( -4.402 -2.573 2.541) 5.697 21.309 ( 4.011 -1.906 0.693) 4.494 23.037 ( -1.770 1.725 -2.541) 3.545 23.038 ( 1.766 1.734 -2.590) 3.583 ======================= Grid point 159 (41/55) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -2.780 0.568 10.689) 11.059 1.783 ( -6.346 -8.233 13.000) 16.644 2.006 ( 5.584 -4.708 8.790) 11.428 2.081 ( 14.090 -2.861 2.413) 14.579 2.594 ( 3.639 0.652 -0.682) 3.759 2.707 ( -3.164 -5.834 -3.177) 7.358 2.775 ( 3.744 -0.150 -0.540) 3.786 2.868 ( 1.809 0.104 14.831) 14.941 3.053 ( 6.438 3.090 -2.467) 7.555 3.220 ( -6.437 -7.912 1.511) 10.312 3.297 ( 2.607 -1.690 0.770) 3.201 3.561 ( 5.661 -7.300 -1.314) 9.330 3.632 ( 1.606 -1.536 4.622) 5.129 3.758 ( 6.527 -2.578 -3.317) 7.763 3.853 ( 0.988 0.889 1.358) 1.900 4.049 ( -0.485 -6.721 0.252) 6.744 4.268 ( -6.045 2.163 -6.333) 9.018 4.362 ( 6.045 7.342 -4.326) 10.448 4.476 ( -12.128 1.813 10.427) 16.097 4.612 ( -4.025 4.638 8.095) 10.161 4.651 ( -2.131 3.835 2.757) 5.181 4.950 ( 0.475 5.959 1.772) 6.235 4.995 ( -5.931 1.296 1.882) 6.356 5.116 ( 1.825 -2.970 2.673) 4.393 5.231 ( -1.959 2.094 -0.935) 3.016 5.275 ( -5.834 2.751 -1.654) 6.659 5.379 ( -0.269 2.660 -3.191) 4.163 5.526 ( 3.784 4.597 -4.847) 7.677 5.647 ( -3.562 2.532 -2.609) 5.089 5.709 ( -0.599 -0.156 -3.071) 3.133 6.385 ( -5.658 -0.705 3.081) 6.481 6.550 ( 5.577 -2.712 1.836) 6.467 6.770 ( 0.681 -2.862 1.166) 3.164 6.899 ( 8.808 -2.962 -4.311) 10.244 7.045 ( -3.793 -0.351 -0.903) 3.914 7.236 ( 0.227 -1.681 -1.589) 2.324 7.357 ( 8.194 -2.744 -4.576) 9.778 7.526 ( 8.658 -3.726 -0.980) 9.476 7.860 ( -0.393 -2.691 -7.560) 8.034 7.893 ( -2.667 -0.094 -3.613) 4.492 7.946 ( -3.510 -5.295 -1.890) 6.627 8.164 ( -1.729 -3.241 -1.954) 4.160 8.202 ( -4.914 3.197 -2.698) 6.454 8.405 ( 7.867 -3.553 0.918) 8.681 8.545 ( -0.937 1.677 -1.273) 2.305 8.666 ( 2.618 2.458 0.218) 3.598 8.712 ( 2.405 0.133 -0.968) 2.596 8.744 ( -0.056 1.171 4.289) 4.446 8.832 ( -2.150 3.119 -1.031) 3.926 8.844 ( -1.310 -0.717 -0.617) 1.616 8.916 ( -3.360 3.935 -0.553) 5.204 8.935 ( 2.240 0.675 0.619) 2.420 9.555 ( -6.476 14.971 2.636) 16.523 9.567 ( -9.254 8.830 1.074) 12.836 9.866 ( 1.711 12.104 0.562) 12.237 9.913 ( -4.029 15.124 0.395) 15.656 10.169 ( -12.378 0.654 5.921) 13.737 10.249 ( -7.442 -0.292 5.789) 9.433 10.403 ( -16.093 3.693 -0.967) 16.540 10.548 ( -7.201 3.095 5.801) 9.751 10.668 ( -10.999 -1.108 4.485) 11.929 10.765 ( -14.851 6.130 -7.406) 17.692 11.196 ( 3.346 0.090 -6.835) 7.611 11.261 ( 8.070 -1.771 -10.136) 13.077 11.860 ( 18.438 -12.516 2.623) 22.438 12.007 ( 16.051 -13.868 0.503) 21.218 12.197 ( 11.696 -14.593 6.518) 19.805 12.338 ( 19.030 -15.787 2.234) 24.827 12.829 ( -4.963 2.957 3.677) 6.848 13.078 ( 4.278 -1.568 6.394) 7.851 13.304 ( -6.978 6.030 -6.476) 11.269 13.578 ( 0.905 1.688 -2.666) 3.283 14.004 ( 3.212 -0.073 25.187) 25.391 14.084 ( -7.613 -7.721 19.106) 21.969 14.399 ( -4.776 14.308 3.989) 15.602 14.629 ( -7.595 -0.000 -8.792) 11.619 14.869 ( -8.332 16.261 -1.040) 18.301 15.083 ( -3.379 6.073 0.323) 6.957 16.038 ( 2.093 -3.519 -19.185) 19.617 16.107 ( 4.986 -1.983 -19.992) 20.699 17.899 ( 0.892 -4.295 6.645) 7.963 18.021 ( 0.476 -1.826 6.836) 7.091 18.214 ( -4.015 3.550 1.001) 5.452 18.556 ( -3.907 -5.859 3.168) 7.722 18.680 ( 6.619 -5.017 4.725) 9.556 18.702 ( -1.784 2.575 6.153) 6.904 18.853 ( 4.559 -0.700 14.967) 15.661 18.996 ( 3.193 -5.535 -4.954) 8.085 19.336 ( -16.726 7.579 -6.637) 19.526 19.949 ( 17.417 -6.572 -14.090) 23.347 20.030 ( -10.417 7.108 -14.190) 18.984 20.494 ( 6.702 1.941 -18.999) 20.240 21.161 ( -5.260 -0.350 4.798) 7.128 21.428 ( 5.899 -3.115 -1.461) 6.829 22.951 ( -5.133 2.971 -1.161) 6.043 23.078 ( 0.957 0.776 -3.935) 4.123 ======================= Grid point 163 (42/55) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -9.448 -7.271 8.557) 14.675 1.707 ( 1.589 6.970 3.886) 8.137 1.942 ( -2.002 -2.620 14.450) 14.822 2.076 ( 3.356 -10.996 -1.445) 11.587 2.497 ( -15.388 -0.169 -0.007) 15.389 2.539 ( -3.834 -8.607 -4.176) 10.307 2.800 ( 0.758 3.619 -0.767) 3.777 2.830 ( -4.855 -5.216 6.969) 9.967 2.994 ( -4.951 -8.107 1.921) 9.692 3.165 ( 3.248 1.433 -3.412) 4.923 3.307 ( 0.797 0.227 -3.854) 3.942 3.442 ( -1.246 -1.883 0.356) 2.286 3.522 ( -7.680 -3.327 3.103) 8.926 3.780 ( -0.453 -7.130 -2.200) 7.475 3.921 ( -3.143 4.439 7.167) 8.997 3.954 ( 7.235 -0.511 4.263) 8.413 4.310 ( 0.390 10.389 0.127) 10.397 4.466 ( 7.629 4.670 -5.892) 10.711 4.564 ( 2.238 -4.448 7.562) 9.054 4.706 ( -0.592 -0.556 7.747) 7.790 4.733 ( 7.194 7.040 5.834) 11.634 4.910 ( -3.477 3.249 7.327) 8.737 5.028 ( 2.544 -0.530 3.105) 4.049 5.171 ( 0.935 0.209 2.891) 3.045 5.283 ( 0.510 2.145 -3.332) 3.996 5.332 ( 7.779 5.132 -7.182) 11.765 5.442 ( 1.584 4.642 -5.404) 7.298 5.536 ( -4.477 -0.121 -7.017) 8.325 5.616 ( 1.234 -0.849 -2.751) 3.132 5.812 ( 4.073 0.522 -6.887) 8.018 6.385 ( 0.969 1.916 10.280) 10.502 6.517 ( -0.602 -4.626 3.443) 5.798 6.681 ( -4.682 -0.319 2.852) 5.492 6.810 ( -5.682 -6.227 0.281) 8.434 7.080 ( 3.983 2.219 -3.735) 5.894 7.200 ( -2.177 -0.473 -0.844) 2.383 7.309 ( -1.381 -5.314 -3.820) 6.689 7.397 ( -8.189 -5.204 -1.002) 9.754 7.790 ( -3.003 -3.788 -8.279) 9.586 7.815 ( -5.059 -3.712 -7.721) 9.949 7.969 ( 5.118 4.465 -0.982) 6.863 8.150 ( 1.352 2.240 -2.242) 3.445 8.253 ( 0.147 2.702 -1.525) 3.106 8.353 ( -2.285 -6.085 -0.014) 6.500 8.563 ( 0.875 1.502 0.717) 1.881 8.645 ( -0.684 -1.534 0.236) 1.696 8.727 ( -1.657 0.090 1.635) 2.330 8.787 ( 4.063 0.157 -2.648) 4.852 8.835 ( -0.687 4.351 -2.368) 5.001 8.898 ( 2.165 1.219 1.431) 2.867 8.938 ( -0.187 -0.318 -1.547) 1.590 8.996 ( 3.488 2.745 -0.178) 4.443 9.782 ( 10.813 12.103 0.428) 16.235 9.901 ( 15.682 9.497 3.630) 18.690 10.065 ( 2.669 9.051 2.451) 9.749 10.160 ( 10.034 4.277 8.594) 13.886 10.252 ( 10.945 6.498 1.369) 12.802 10.278 ( 0.682 8.589 8.663) 12.218 10.578 ( 4.073 16.168 -0.589) 16.684 10.601 ( 12.061 -2.599 1.765) 12.463 10.664 ( 3.524 9.616 6.704) 12.241 10.931 ( 9.422 8.430 -8.381) 15.168 11.191 ( -2.779 -3.099 -7.240) 8.351 11.224 ( -0.798 -2.671 -8.865) 9.293 11.548 ( -16.629 -19.386 3.112) 25.730 11.660 ( -18.281 -13.507 -0.276) 22.731 11.896 ( -15.331 -13.733 3.037) 20.805 11.969 ( -18.583 -21.875 0.640) 28.710 12.879 ( 2.214 3.148 3.528) 5.221 13.028 ( -3.130 -3.748 5.565) 7.403 13.457 ( 7.869 3.803 -5.537) 10.346 13.596 ( -0.778 0.427 -4.143) 4.237 13.941 ( -4.436 4.559 27.147) 27.883 14.021 ( 0.278 -7.247 33.289) 34.069 14.655 ( 10.457 6.121 -1.349) 12.191 14.671 ( 3.491 10.931 -6.874) 13.376 15.174 ( 9.505 10.445 -5.951) 15.325 15.223 ( 9.878 5.796 -1.862) 11.603 15.948 ( -4.699 -2.442 -20.497) 21.170 16.045 ( -4.032 -5.050 -19.858) 20.883 17.811 ( -3.503 -2.467 6.707) 7.959 17.985 ( -1.167 -0.529 4.180) 4.372 18.307 ( 3.012 -2.316 4.733) 6.069 18.440 ( -3.922 1.343 -0.273) 4.155 18.594 ( -1.359 -5.758 4.171) 7.239 18.756 ( 0.422 1.045 3.804) 3.967 18.813 ( -6.452 -5.353 1.955) 8.608 18.871 ( -2.485 -3.196 11.240) 11.947 19.471 ( 6.873 12.135 -6.789) 15.511 19.823 ( -6.366 -10.034 -11.338) 16.424 20.219 ( 10.810 8.570 -18.393) 22.992 20.487 ( -2.903 -0.078 -21.797) 21.990 21.177 ( 2.143 0.840 4.937) 5.448 21.339 ( -5.495 -4.736 0.240) 7.258 23.020 ( 3.501 3.474 -1.602) 5.186 23.090 ( 0.120 0.143 -3.145) 3.150 ======================= Grid point 164 (43/55) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 0.653 -13.754 7.197) 15.537 1.769 ( 3.449 0.955 -2.417) 4.319 1.927 ( 1.803 4.037 10.891) 11.754 2.056 ( -12.368 2.883 7.130) 14.564 2.333 ( 8.134 -8.527 -2.904) 12.137 2.506 ( -0.503 -13.547 -5.062) 14.471 2.748 ( -0.424 -8.704 -1.527) 8.847 2.797 ( 1.424 6.204 2.145) 6.717 2.971 ( -2.127 -6.167 7.665) 10.065 3.179 ( 0.362 -9.969 -9.078) 13.488 3.323 ( -1.049 5.636 -1.022) 5.823 3.433 ( -0.864 0.068 0.055) 0.869 3.489 ( 3.913 -0.854 2.275) 4.606 3.706 ( -3.073 -3.426 -0.471) 4.626 3.922 ( 1.913 7.191 7.296) 10.421 4.017 ( -2.749 1.117 4.713) 5.570 4.394 ( 8.282 6.095 3.672) 10.919 4.510 ( -7.303 -2.417 1.484) 7.834 4.563 ( -2.154 2.134 -1.326) 3.309 4.674 ( 2.447 -2.837 11.355) 11.957 4.823 ( 0.430 3.608 6.820) 7.728 4.886 ( -0.502 7.792 4.979) 9.260 5.080 ( 0.590 0.755 1.756) 2.000 5.146 ( 0.076 0.339 3.323) 3.341 5.295 ( -0.003 0.413 -4.329) 4.349 5.427 ( -2.120 5.046 -8.599) 10.193 5.479 ( 2.669 4.914 -5.248) 7.669 5.498 ( 2.165 -3.145 -8.200) 9.045 5.597 ( -1.879 1.323 -2.278) 3.236 5.838 ( -0.919 2.243 -7.615) 7.991 6.405 ( 0.584 -2.037 12.116) 12.300 6.495 ( -1.978 0.316 5.889) 6.220 6.667 ( 2.992 -2.489 2.665) 4.717 6.721 ( -1.315 -5.052 2.430) 5.758 7.142 ( -3.429 1.160 -2.795) 4.574 7.178 ( 5.015 0.158 -4.479) 6.726 7.257 ( -4.421 -2.760 0.039) 5.212 7.321 ( 2.466 -5.131 -2.263) 6.126 7.755 ( -0.255 -5.107 -9.314) 10.625 7.770 ( 0.401 -5.559 -8.257) 9.962 8.041 ( -0.181 4.105 -1.459) 4.361 8.178 ( -0.496 1.457 -3.691) 3.999 8.236 ( 2.953 -0.233 2.821) 4.091 8.310 ( -2.555 -3.299 -1.681) 4.498 8.603 ( 2.472 0.712 1.429) 2.942 8.611 ( -2.670 0.957 -2.422) 3.730 8.720 ( 0.695 -2.088 2.096) 3.039 8.803 ( -1.550 4.783 -3.163) 5.940 8.867 ( 3.381 2.023 -1.464) 4.203 8.900 ( -2.002 -0.112 -2.354) 3.092 8.935 ( 0.088 1.883 0.390) 1.925 9.032 ( -0.161 3.099 0.356) 3.123 9.929 ( 2.936 16.267 0.567) 16.540 9.990 ( -5.673 14.324 1.369) 15.467 10.101 ( 2.668 14.613 5.265) 15.760 10.242 ( -2.772 8.697 9.092) 12.883 10.320 ( 3.658 0.508 13.024) 13.538 10.421 ( -2.345 5.132 2.513) 6.177 10.568 ( 0.327 10.635 0.650) 10.660 10.769 ( 3.913 2.552 4.880) 6.756 10.897 ( 2.795 3.310 -0.188) 4.336 11.009 ( -6.617 2.006 -7.759) 10.392 11.117 ( 2.202 -1.681 -9.144) 9.554 11.165 ( -1.633 2.499 -2.887) 4.153 11.368 ( -3.537 -15.132 -0.442) 15.546 11.454 ( 5.472 -16.925 -0.222) 17.789 11.681 ( -1.084 -17.403 -0.331) 17.440 11.756 ( -0.351 -23.129 0.120) 23.132 12.931 ( 1.393 0.482 4.369) 4.611 12.964 ( -1.289 -2.307 4.304) 5.051 13.538 ( -4.157 4.425 -8.014) 10.054 13.573 ( 3.266 1.697 -3.525) 5.096 13.924 ( 2.401 0.535 35.545) 35.630 14.010 ( -1.868 -7.223 31.607) 32.476 14.715 ( 0.005 11.099 -3.316) 11.584 14.775 ( 0.800 4.921 -6.206) 7.961 15.254 ( 0.798 14.408 -5.219) 15.345 15.344 ( -1.950 8.352 -2.828) 9.030 15.907 ( 1.417 -4.530 -21.536) 22.053 15.984 ( -0.767 -5.083 -20.488) 21.123 17.781 ( 0.332 -4.529 7.125) 8.449 17.976 ( 0.163 -1.960 3.794) 4.274 18.302 ( -1.465 -0.742 3.385) 3.763 18.432 ( 2.266 -1.010 0.842) 2.620 18.583 ( -5.025 -3.741 -0.986) 6.341 18.685 ( 3.774 -9.682 -0.609) 10.409 18.814 ( 2.066 0.385 9.156) 9.394 18.830 ( -2.604 -0.307 12.840) 13.105 19.626 ( 8.286 3.489 -8.571) 12.421 19.681 ( -7.851 -1.375 -8.981) 12.008 20.377 ( -5.110 5.466 -21.646) 22.903 20.417 ( 5.315 5.439 -21.394) 22.706 21.228 ( -2.757 -2.125 3.749) 5.116 21.249 ( 2.562 -3.551 2.303) 4.948 23.074 ( -0.998 1.708 -2.279) 3.017 23.075 ( 0.997 1.662 -2.304) 3.010 ======================= Grid point 174 (44/55) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 0.000 8.944) 8.944 1.765 ( 0.000 0.000 -0.420) 0.420 2.074 ( 0.000 -0.000 4.250) 4.250 2.144 ( 0.000 -0.000 3.882) 3.882 2.226 ( -0.000 0.000 -3.124) 3.124 2.226 ( 0.000 0.000 -3.124) 3.124 2.648 ( 0.000 0.000 -7.828) 7.828 2.887 ( 0.000 0.000 9.868) 9.868 2.887 ( 0.000 0.000 9.868) 9.868 3.063 ( 0.000 0.000 -14.421) 14.421 3.414 ( 0.000 0.000 -2.614) 2.614 3.414 ( 0.000 0.000 -2.614) 2.614 3.502 ( 0.000 0.000 2.828) 2.828 3.647 ( 0.000 0.000 -2.978) 2.978 4.042 ( -0.000 0.000 7.149) 7.149 4.042 ( 0.000 0.000 7.149) 7.149 4.346 ( 0.000 0.000 19.999) 19.999 4.545 ( 0.000 0.000 19.670) 19.670 4.618 ( -0.000 0.000 -9.294) 9.294 4.618 ( 0.000 0.000 -9.294) 9.294 4.860 ( 0.000 0.000 7.527) 7.527 4.990 ( 0.000 0.000 6.276) 6.276 5.110 ( 0.000 0.000 0.777) 0.777 5.110 ( 0.000 0.000 0.777) 0.777 5.300 ( 0.000 0.000 -4.302) 4.302 5.435 ( 0.000 0.000 -11.554) 11.554 5.534 ( -0.000 0.000 -4.547) 4.547 5.534 ( 0.000 0.000 -4.547) 4.547 5.583 ( 0.000 0.000 -6.120) 6.120 5.853 ( 0.000 0.000 -8.509) 8.509 6.386 ( 0.000 0.000 14.145) 14.145 6.526 ( 0.000 -0.000 9.602) 9.602 6.640 ( 0.000 0.000 3.444) 3.444 6.640 ( 0.000 0.000 3.444) 3.444 7.160 ( 0.000 0.000 -2.730) 2.730 7.218 ( 0.000 -0.000 -8.831) 8.831 7.225 ( -0.000 -0.000 1.192) 1.192 7.225 ( -0.000 0.000 1.192) 1.192 7.703 ( 0.000 -0.000 -10.644) 10.644 7.714 ( 0.000 0.000 -8.895) 8.895 8.116 ( 0.000 0.000 -5.210) 5.210 8.200 ( 0.000 0.000 -3.677) 3.677 8.234 ( 0.000 -0.000 2.662) 2.662 8.234 ( 0.000 0.000 2.662) 2.662 8.627 ( 0.000 0.000 -1.713) 1.713 8.627 ( 0.000 0.000 -1.713) 1.713 8.684 ( 0.000 0.000 2.956) 2.956 8.864 ( 0.000 0.000 2.041) 2.041 8.886 ( 0.000 -0.000 -5.583) 5.583 8.886 ( 0.000 0.000 -5.583) 5.583 8.955 ( 0.000 0.000 1.284) 1.284 9.067 ( 0.000 0.000 0.856) 0.856 10.108 ( 0.000 0.000 1.779) 1.779 10.202 ( 0.000 0.000 0.790) 0.790 10.271 ( -0.000 -0.000 13.228) 13.228 10.271 ( 0.000 0.000 13.228) 13.228 10.293 ( 0.000 0.000 5.782) 5.782 10.524 ( 0.000 0.000 0.278) 0.278 10.779 ( 0.000 0.000 4.191) 4.191 10.832 ( -0.000 0.000 1.752) 1.752 10.960 ( -0.000 0.000 -2.918) 2.918 10.960 ( 0.000 0.000 -2.918) 2.918 11.134 ( 0.000 0.000 -2.740) 2.740 11.134 ( 0.000 0.000 -2.740) 2.740 11.184 ( -0.000 -0.000 -2.676) 2.676 11.400 ( -0.000 0.000 -0.902) 0.902 11.400 ( 0.000 0.000 -0.902) 0.902 11.405 ( -0.000 -0.000 -6.079) 6.079 12.936 ( 0.000 0.000 3.567) 3.567 12.936 ( 0.000 0.000 3.567) 3.567 13.588 ( 0.000 0.000 -7.608) 7.608 13.588 ( 0.000 0.000 -7.608) 7.608 13.921 ( 0.000 0.000 37.332) 37.332 13.949 ( 0.000 0.000 38.580) 38.580 14.829 ( 0.000 0.000 -5.733) 5.733 14.829 ( 0.000 0.000 -5.733) 5.733 15.433 ( 0.000 0.000 -3.249) 3.249 15.433 ( 0.000 0.000 -3.249) 3.249 15.849 ( 0.000 0.000 -22.687) 22.687 15.913 ( 0.000 0.000 -22.600) 22.600 17.730 ( 0.000 0.000 7.398) 7.398 17.952 ( 0.000 0.000 2.645) 2.645 18.292 ( 0.000 0.000 3.130) 3.130 18.449 ( 0.000 0.000 -2.723) 2.723 18.547 ( 0.000 -0.000 -1.405) 1.405 18.547 ( 0.000 0.000 -1.405) 1.405 18.816 ( 0.000 0.000 12.402) 12.402 18.837 ( 0.000 0.000 14.992) 14.992 19.664 ( 0.000 0.000 -7.798) 7.798 19.664 ( 0.000 0.000 -7.798) 7.798 20.429 ( 0.000 0.000 -23.323) 23.323 20.486 ( 0.000 0.000 -25.077) 25.077 21.205 ( 0.000 0.000 4.337) 4.337 21.205 ( 0.000 0.000 4.337) 4.337 23.093 ( 0.000 0.000 -2.167) 2.167 23.093 ( 0.000 0.000 -2.167) 2.167 ======================= Grid point 196 (45/55) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -0.000 0.000 13.445) 13.445 2.071 ( 0.000 0.000 13.445) 13.445 2.257 ( 0.000 0.000 -3.105) 3.105 2.257 ( 0.000 0.000 -3.105) 3.105 2.703 ( 0.000 0.000 8.572) 8.572 2.703 ( 0.000 0.000 8.572) 8.572 2.969 ( 0.000 0.000 -13.388) 13.388 2.969 ( -0.000 0.000 -13.388) 13.388 2.982 ( -0.000 0.000 8.783) 8.783 3.264 ( 0.000 0.000 3.800) 3.800 3.652 ( 0.000 0.000 2.407) 2.407 3.735 ( -0.000 0.000 -1.830) 1.830 3.890 ( 0.000 0.000 1.994) 1.994 3.890 ( 0.000 -0.000 1.994) 1.994 3.953 ( 0.000 0.000 -4.111) 4.111 3.953 ( 0.000 0.000 -4.111) 4.111 3.999 ( -0.000 0.000 6.074) 6.074 4.403 ( -0.000 0.000 -1.703) 1.703 4.450 ( 0.000 0.000 -0.706) 0.706 4.536 ( -0.000 0.000 -0.615) 0.615 4.536 ( 0.000 -0.000 -0.615) 0.615 4.693 ( -0.000 0.000 -4.186) 4.186 4.918 ( 0.000 0.000 0.281) 0.281 4.918 ( 0.000 0.000 0.281) 0.281 5.143 ( 0.000 0.000 13.607) 13.607 5.294 ( -0.000 0.000 0.992) 0.992 5.294 ( 0.000 0.000 0.992) 0.992 5.422 ( 0.000 0.000 -9.254) 9.254 5.576 ( 0.000 0.000 0.455) 0.455 5.576 ( 0.000 0.000 0.455) 0.455 6.249 ( -0.000 0.000 9.538) 9.538 6.612 ( 0.000 0.000 -14.629) 14.629 6.875 ( 0.000 0.000 -0.132) 0.132 6.974 ( 0.000 0.000 -2.215) 2.215 7.087 ( 0.000 0.000 3.211) 3.211 7.272 ( 0.000 0.000 -2.972) 2.972 7.685 ( -0.000 0.000 0.057) 0.057 7.685 ( 0.000 0.000 0.057) 0.057 7.743 ( 0.000 0.000 -1.472) 1.472 7.743 ( 0.000 0.000 -1.472) 1.472 7.746 ( -0.000 0.000 -2.575) 2.575 8.096 ( 0.000 0.000 -1.428) 1.428 8.229 ( 0.000 0.000 -2.445) 2.445 8.618 ( 0.000 0.000 0.770) 0.770 8.618 ( 0.000 -0.000 0.770) 0.770 8.685 ( -0.000 0.000 0.115) 0.115 8.731 ( 0.000 0.000 1.198) 1.198 8.731 ( 0.000 0.000 1.198) 1.198 8.844 ( -0.000 0.000 3.631) 3.631 8.922 ( 0.000 0.000 2.524) 2.524 8.985 ( 0.000 0.000 -0.298) 0.298 9.054 ( 0.000 0.000 -5.141) 5.141 9.207 ( 0.000 0.000 8.797) 8.797 9.207 ( 0.000 0.000 8.797) 8.797 9.427 ( 0.000 0.000 -7.581) 7.581 9.427 ( 0.000 0.000 -7.581) 7.581 9.781 ( 0.000 0.000 -1.010) 1.010 9.781 ( 0.000 0.000 -1.010) 1.010 10.162 ( -0.000 0.000 -0.677) 0.677 10.162 ( 0.000 0.000 -0.677) 0.677 10.528 ( 0.000 0.000 5.597) 5.597 10.735 ( 0.000 0.000 4.153) 4.153 11.192 ( -0.000 0.000 -0.877) 0.877 11.272 ( -0.000 0.000 -8.058) 8.058 12.693 ( 0.000 -0.000 4.245) 4.245 12.693 ( 0.000 0.000 4.245) 4.245 12.799 ( 0.000 -0.000 -4.255) 4.255 12.799 ( -0.000 0.000 -4.255) 4.255 12.878 ( -0.000 0.000 9.340) 9.340 13.112 ( 0.000 0.000 -1.725) 1.725 13.213 ( 0.000 0.000 4.048) 4.048 13.552 ( 0.000 0.000 -4.518) 4.518 13.978 ( 0.000 0.000 4.533) 4.533 13.978 ( 0.000 0.000 4.533) 4.533 14.080 ( 0.000 0.000 -4.127) 4.127 14.080 ( 0.000 0.000 -4.127) 4.127 14.871 ( 0.000 0.000 14.775) 14.775 15.283 ( -0.000 0.000 15.390) 15.390 15.842 ( -0.000 0.000 -12.481) 12.481 15.847 ( -0.000 0.000 -18.238) 18.238 18.034 ( -0.000 0.000 2.458) 2.458 18.212 ( 0.000 0.000 1.863) 1.863 18.240 ( 0.000 0.000 5.644) 5.644 18.240 ( 0.000 0.000 5.644) 5.644 18.732 ( -0.000 0.000 -5.419) 5.419 18.732 ( 0.000 0.000 -5.419) 5.419 19.036 ( 0.000 0.000 -1.696) 1.696 19.365 ( 0.000 0.000 14.445) 14.445 19.365 ( 0.000 0.000 14.445) 14.445 19.485 ( -0.000 0.000 -3.166) 3.166 20.272 ( -0.000 0.000 -13.353) 13.353 20.272 ( 0.000 0.000 -13.353) 13.353 21.069 ( 0.000 -0.000 3.403) 3.403 21.513 ( 0.000 0.000 -2.770) 2.770 22.827 ( 0.000 0.000 5.519) 5.519 22.953 ( 0.000 0.000 -6.681) 6.681 ======================= Grid point 197 (46/55) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -6.792 -2.097 12.982) 14.800 2.099 ( 2.568 2.408 12.902) 13.374 2.210 ( -5.402 -1.499 -4.216) 7.015 2.271 ( 1.200 2.899 -1.998) 3.720 2.657 ( -5.983 -3.095 5.632) 8.780 2.695 ( -1.230 1.105 4.413) 4.712 2.859 ( -1.667 -0.448 -3.356) 3.774 2.943 ( -0.890 1.560 -9.185) 9.359 3.091 ( 3.475 -1.151 3.885) 5.338 3.282 ( -3.046 -6.663 2.374) 7.701 3.552 ( -6.421 4.706 0.301) 7.966 3.578 ( -7.723 8.502 -1.015) 11.531 3.843 ( -4.521 -2.215 1.360) 5.215 3.884 ( -1.031 -1.878 0.309) 2.164 3.951 ( 1.650 1.441 -3.227) 3.900 3.985 ( 1.374 -3.839 -0.423) 4.100 4.158 ( 7.352 -4.846 4.684) 9.974 4.333 ( -6.100 10.606 1.820) 12.370 4.375 ( 1.739 -10.216 -2.857) 10.749 4.457 ( -5.514 4.455 -7.276) 10.158 4.658 ( 7.624 5.221 2.633) 9.608 4.810 ( 10.189 -5.216 0.394) 11.453 4.938 ( 1.384 -2.555 -0.154) 2.910 5.060 ( 3.683 0.190 4.993) 6.207 5.095 ( 2.957 3.468 6.168) 7.669 5.319 ( 0.673 -1.636 -3.033) 3.511 5.347 ( 3.105 0.066 -1.001) 3.263 5.419 ( 1.871 0.747 -0.868) 2.194 5.548 ( -2.953 -0.339 0.052) 2.973 5.631 ( 4.294 0.044 -2.290) 4.866 6.310 ( 5.505 0.007 8.699) 10.294 6.590 ( -1.598 0.505 -12.367) 12.480 6.843 ( -3.077 -0.247 -0.100) 3.089 6.938 ( -3.900 -0.233 -2.294) 4.531 7.066 ( -1.233 0.075 2.676) 2.947 7.260 ( -0.758 0.393 -1.509) 1.734 7.557 ( -11.353 -0.053 -0.936) 11.392 7.677 ( -3.480 -1.838 -0.975) 4.055 7.733 ( 2.365 0.565 -0.081) 2.433 7.775 ( 3.558 2.015 -3.914) 5.660 7.853 ( 5.915 -0.263 -1.117) 6.026 8.050 ( -1.134 -0.947 -0.991) 1.779 8.176 ( -2.542 -0.487 -1.819) 3.163 8.605 ( -6.279 1.442 -0.072) 6.443 8.647 ( 2.200 -0.488 0.404) 2.289 8.688 ( -0.283 0.578 2.394) 2.479 8.711 ( -2.382 -0.690 2.289) 3.374 8.767 ( 1.658 2.231 1.601) 3.208 8.791 ( -1.394 -2.404 0.886) 2.916 8.849 ( -6.493 1.001 -3.582) 7.483 8.913 ( -1.886 -1.226 1.998) 3.008 8.964 ( -1.713 -0.978 -0.150) 1.979 9.337 ( 9.978 0.937 7.835) 12.721 9.355 ( 8.825 2.322 1.898) 9.321 9.495 ( 7.364 0.037 -7.354) 10.408 9.705 ( 10.882 -2.475 -1.338) 11.240 9.825 ( 14.148 0.621 -0.905) 14.191 9.949 ( 15.570 -1.145 -0.663) 15.626 10.158 ( 1.178 1.670 -1.405) 2.480 10.287 ( 12.557 -0.572 -1.116) 12.619 10.571 ( 3.801 -0.287 5.661) 6.825 10.733 ( -0.155 -0.063 4.385) 4.388 11.161 ( -3.108 0.132 -1.888) 3.639 11.223 ( -4.654 0.122 -7.757) 9.047 12.456 ( -19.228 -1.155 2.175) 19.385 12.475 ( -18.503 -2.248 0.925) 18.662 12.757 ( 0.880 0.608 0.984) 1.454 12.773 ( -3.774 4.144 1.381) 5.773 12.946 ( -16.267 0.219 4.203) 16.803 13.016 ( -0.583 0.337 -3.324) 3.391 13.252 ( 6.085 -0.726 6.073) 8.627 13.437 ( -1.466 -0.066 -6.016) 6.193 14.040 ( 5.946 -2.582 4.228) 7.740 14.096 ( 5.409 0.634 -0.484) 5.468 14.167 ( 11.399 -4.124 2.230) 12.325 14.344 ( 19.289 5.029 -3.711) 20.276 14.860 ( -0.862 0.008 15.345) 15.369 15.255 ( -2.756 0.166 14.056) 14.324 15.788 ( -5.138 -0.667 -13.460) 14.423 15.818 ( -2.867 0.324 -17.690) 17.924 18.035 ( 0.165 0.037 2.821) 2.827 18.109 ( -3.064 -4.429 1.357) 5.554 18.248 ( 1.146 8.189 4.549) 9.437 18.443 ( 12.659 -3.766 5.282) 14.224 18.731 ( -0.185 -6.469 -4.812) 8.064 18.745 ( 1.417 6.820 -4.345) 8.210 19.013 ( -2.199 0.047 -1.462) 2.641 19.279 ( -7.606 -2.664 11.861) 14.340 19.327 ( -3.768 1.908 14.041) 14.663 19.579 ( 8.693 0.297 -3.863) 9.517 20.109 ( -14.824 0.951 -12.699) 19.543 20.244 ( -2.810 -0.958 -12.167) 12.524 21.132 ( 5.147 0.116 2.720) 5.822 21.492 ( -2.207 -0.032 -2.177) 3.100 22.860 ( 3.052 -0.001 4.446) 5.393 22.967 ( 1.165 -0.001 -5.860) 5.975 ======================= Grid point 198 (47/55) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -4.848 -3.891 9.142) 11.055 2.026 ( -10.600 3.444 -2.719) 11.472 2.186 ( 4.909 0.729 11.469) 12.497 2.294 ( 0.710 5.146 2.224) 5.651 2.518 ( -4.632 -3.343 -2.030) 6.062 2.704 ( 1.998 -4.170 -0.363) 4.638 2.817 ( -8.270 4.236 0.491) 9.304 2.904 ( -4.377 3.038 -6.368) 8.303 3.096 ( 0.669 -9.667 7.658) 12.351 3.177 ( -1.817 -6.785 0.132) 7.025 3.492 ( -1.509 5.249 0.588) 5.493 3.558 ( 3.651 8.604 -0.422) 9.356 3.725 ( -5.696 5.025 0.801) 7.638 3.857 ( -0.006 5.564 -0.943) 5.643 3.944 ( -4.817 -5.198 3.136) 7.749 3.999 ( 1.179 -13.325 -1.185) 13.429 4.143 ( -4.155 -4.460 -0.647) 6.130 4.257 ( -5.430 14.099 -4.672) 15.814 4.475 ( 9.457 -7.420 0.151) 12.021 4.573 ( 13.730 -0.494 -2.943) 14.051 4.727 ( -0.142 4.890 6.168) 7.873 4.911 ( -2.398 4.610 -0.183) 5.200 5.055 ( 7.528 -7.189 5.536) 11.790 5.089 ( 7.364 -1.478 1.414) 7.643 5.199 ( 3.428 -1.190 0.331) 3.644 5.252 ( -4.743 1.475 -4.873) 6.958 5.406 ( -1.598 5.014 0.668) 5.305 5.440 ( -5.886 0.638 1.662) 6.150 5.536 ( 7.679 -4.361 0.346) 8.838 5.694 ( 1.254 0.319 -3.596) 3.822 6.437 ( 6.729 0.366 5.473) 8.681 6.574 ( 0.099 1.941 -6.579) 6.860 6.767 ( -4.034 -1.849 -0.305) 4.448 6.831 ( -6.112 0.184 -1.763) 6.364 7.067 ( 1.604 -0.865 1.231) 2.200 7.249 ( -1.726 1.202 -0.181) 2.111 7.344 ( -7.312 1.236 -1.652) 7.597 7.522 ( -9.857 -1.783 -0.590) 10.034 7.779 ( 2.396 0.033 -1.235) 2.696 7.836 ( 1.455 3.026 -4.875) 5.919 7.985 ( 7.554 -2.377 -0.575) 7.940 8.117 ( 5.703 -2.357 -0.346) 6.180 8.201 ( 4.885 -0.231 -0.989) 4.989 8.455 ( -7.834 -0.050 -0.918) 7.887 8.523 ( -8.427 -0.365 2.633) 8.836 8.635 ( -7.978 5.977 -1.955) 10.158 8.691 ( 1.827 -1.883 0.250) 2.636 8.750 ( -1.447 -0.073 0.935) 1.725 8.838 ( 2.997 -1.572 0.909) 3.504 8.844 ( 2.589 0.424 -0.200) 2.631 8.898 ( -0.344 -0.914 1.424) 1.726 8.930 ( -1.687 -0.403 0.069) 1.735 9.501 ( 6.684 6.082 2.326) 9.331 9.513 ( 6.547 2.031 0.512) 6.874 9.652 ( 4.354 -6.156 -1.308) 7.653 9.714 ( -2.308 -1.066 -0.757) 2.653 10.250 ( 16.761 1.905 3.914) 17.317 10.324 ( 19.578 -2.848 -0.756) 19.799 10.349 ( 21.122 1.841 -0.583) 21.210 10.598 ( 14.186 1.347 -3.283) 14.623 10.661 ( 5.006 -2.045 7.926) 9.595 10.741 ( 3.612 -1.402 2.053) 4.385 11.062 ( -7.467 0.604 -6.604) 9.987 11.111 ( -6.118 0.651 -5.030) 7.948 12.039 ( -19.476 1.824 0.972) 19.586 12.132 ( -16.995 -3.845 0.346) 17.428 12.446 ( -19.114 -3.400 2.602) 19.588 12.520 ( -17.922 3.699 -2.143) 18.425 12.942 ( 8.650 6.080 6.343) 12.330 13.105 ( 6.740 -0.024 -5.879) 8.944 13.279 ( -1.769 -1.500 8.592) 8.899 13.438 ( -2.611 -0.693 -6.795) 7.312 14.160 ( 6.789 -4.881 2.939) 8.863 14.293 ( 8.585 3.054 1.057) 9.173 14.372 ( 11.295 -7.927 6.535) 15.268 14.664 ( 9.395 9.827 -3.653) 14.078 14.869 ( 3.793 -2.042 17.343) 17.870 15.175 ( -5.445 1.483 11.222) 12.561 15.673 ( -5.022 -2.813 -16.465) 17.442 15.739 ( -4.892 1.113 -17.158) 17.877 18.044 ( 0.804 0.283 3.131) 3.245 18.080 ( -0.713 -5.914 1.793) 6.221 18.311 ( 6.008 11.369 2.003) 13.014 18.676 ( -0.009 -7.893 2.199) 8.193 18.704 ( 5.202 -4.295 1.178) 6.848 18.788 ( 2.621 8.365 -2.628) 9.151 18.966 ( -1.667 0.065 -0.245) 1.686 19.148 ( -4.346 -4.279 5.850) 8.451 19.241 ( -2.306 0.917 9.775) 10.085 19.742 ( -12.985 1.202 -8.433) 15.529 19.801 ( 4.993 1.696 -8.145) 9.703 20.158 ( -6.056 -1.561 -9.805) 11.629 21.238 ( 5.274 0.387 1.826) 5.595 21.428 ( -4.096 -0.205 -0.803) 4.179 22.929 ( 3.454 -0.001 1.918) 3.951 22.988 ( 0.639 -0.004 -3.739) 3.793 ======================= Grid point 199 (48/55) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 1.428 -7.887 2.307) 8.341 1.857 ( -1.428 7.887 2.307) 8.341 2.274 ( 1.014 -2.291 8.337) 8.705 2.274 ( -1.014 2.291 8.337) 8.705 2.568 ( -9.791 -0.479 -1.801) 9.967 2.568 ( 9.791 0.479 -1.801) 9.967 2.797 ( 2.522 -5.987 -4.282) 7.781 2.797 ( -2.522 5.987 -4.282) 7.781 3.156 ( 0.845 -13.316 4.056) 13.946 3.156 ( -0.845 13.316 4.056) 13.946 3.517 ( -4.104 0.112 1.110) 4.252 3.517 ( 4.104 -0.112 1.110) 4.252 3.776 ( -7.747 -6.191 1.091) 9.976 3.776 ( 7.747 6.191 1.091) 9.976 3.945 ( -4.202 -9.454 0.331) 10.351 3.945 ( 4.202 9.454 0.331) 10.351 4.152 ( 2.810 -11.137 -4.156) 12.215 4.152 ( -2.810 11.137 -4.156) 12.215 4.657 ( 4.911 -3.251 3.458) 6.829 4.657 ( -4.911 3.251 3.458) 6.829 4.809 ( 3.376 -1.970 -3.335) 5.138 4.809 ( -3.376 1.970 -3.335) 5.138 5.153 ( -1.658 -4.458 3.828) 6.106 5.153 ( 1.658 4.458 3.828) 6.106 5.250 ( 0.747 -3.462 0.039) 3.542 5.250 ( -0.747 3.462 0.039) 3.542 5.335 ( 0.089 -2.851 0.168) 2.857 5.335 ( -0.089 2.851 0.168) 2.857 5.666 ( -0.576 -0.937 -1.237) 1.656 5.666 ( 0.576 0.937 -1.237) 1.656 6.552 ( -1.329 -2.548 0.671) 2.951 6.552 ( 1.329 2.548 0.671) 2.951 6.735 ( 1.813 -2.485 -1.642) 3.487 6.735 ( -1.813 2.485 -1.642) 3.487 7.138 ( -5.331 1.589 -0.654) 5.601 7.138 ( 5.331 -1.589 -0.654) 5.601 7.361 ( -5.673 -2.328 -0.170) 6.135 7.361 ( 5.673 2.328 -0.170) 6.135 7.826 ( 0.956 -1.680 -3.369) 3.884 7.826 ( -0.956 1.680 -3.369) 3.884 8.133 ( 0.915 -3.009 -0.222) 3.153 8.133 ( -0.915 3.009 -0.222) 3.153 8.321 ( -6.711 -0.824 0.195) 6.764 8.321 ( 6.711 0.824 0.195) 6.764 8.477 ( 5.764 -6.366 -1.485) 8.716 8.477 ( -5.764 6.366 -1.485) 8.716 8.722 ( 0.264 -1.127 0.550) 1.282 8.722 ( -0.264 1.127 0.550) 1.282 8.876 ( 0.318 -0.828 1.008) 1.343 8.876 ( -0.318 0.828 1.008) 1.343 8.898 ( 1.276 -1.870 0.264) 2.279 8.898 ( -1.276 1.870 0.264) 2.279 9.591 ( -0.531 -5.840 0.362) 5.875 9.591 ( 0.531 5.840 0.362) 5.875 9.667 ( 0.239 -0.914 -0.096) 0.949 9.667 ( -0.239 0.914 -0.096) 0.949 10.526 ( -5.072 -3.733 3.307) 7.113 10.526 ( 5.072 3.733 3.307) 7.113 10.624 ( -7.574 -1.628 6.647) 10.208 10.624 ( 7.574 1.628 6.647) 10.208 10.832 ( -11.547 0.298 -5.483) 12.786 10.832 ( 11.547 -0.298 -5.483) 12.786 10.980 ( -7.365 1.447 -4.673) 8.841 10.980 ( 7.365 -1.447 -4.673) 8.841 11.857 ( -5.090 -1.773 0.228) 5.394 11.857 ( 5.090 1.773 0.228) 5.394 12.276 ( 3.376 -7.206 -0.533) 7.976 12.276 ( -3.376 7.206 -0.533) 7.976 13.109 ( -6.244 -4.737 6.287) 10.047 13.109 ( 6.244 4.737 6.287) 10.047 13.327 ( -4.345 -4.452 -5.077) 8.030 13.327 ( 4.345 4.452 -5.077) 8.030 14.292 ( -2.661 -1.875 3.667) 4.903 14.292 ( 2.661 1.875 3.667) 4.903 14.631 ( 7.316 -7.183 5.424) 11.599 14.631 ( -7.316 7.183 5.424) 11.599 15.030 ( -4.775 -1.275 10.152) 11.291 15.030 ( 4.775 1.275 10.152) 11.291 15.650 ( 2.848 -3.033 -17.904) 18.381 15.650 ( -2.848 3.033 -17.904) 18.381 18.063 ( -0.757 -3.736 2.924) 4.804 18.063 ( 0.757 3.736 2.924) 4.804 18.490 ( -11.076 -8.341 1.279) 13.924 18.490 ( 11.076 8.341 1.279) 13.924 18.819 ( -0.171 -6.235 -0.481) 6.255 18.819 ( 0.171 6.235 -0.481) 6.255 19.018 ( -7.375 0.637 6.641) 9.945 19.018 ( 7.375 -0.637 6.641) 9.945 19.393 ( -15.458 3.231 -5.406) 16.692 19.393 ( 15.458 -3.231 -5.406) 16.692 20.003 ( -9.573 -1.570 -7.667) 12.365 20.003 ( 9.573 1.570 -7.667) 12.365 21.338 ( -4.881 -0.422 0.667) 4.944 21.338 ( 4.881 0.422 0.667) 4.944 22.981 ( -1.518 -0.002 -0.991) 1.813 22.981 ( 1.518 0.002 -0.991) 1.813 ======================= Grid point 204 (49/55) ======================= q-point: ( 0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -10.531 -1.258 8.668) 13.698 2.031 ( 1.132 -8.309 13.997) 16.317 2.190 ( -3.673 -0.879 1.487) 4.059 2.249 ( 1.923 -5.757 -5.286) 8.049 2.585 ( -8.585 -4.215 -2.355) 9.849 2.721 ( 0.914 2.365 6.721) 7.183 2.806 ( -1.324 -1.852 -2.689) 3.524 3.032 ( 6.718 0.755 -6.416) 9.320 3.082 ( -2.260 3.109 4.657) 6.039 3.201 ( -14.820 -0.630 2.756) 15.087 3.464 ( -2.072 -16.877 -0.673) 17.017 3.595 ( 2.973 -2.954 -0.037) 4.191 3.784 ( -3.147 3.601 0.796) 4.848 3.850 ( -0.973 -7.356 1.679) 7.607 3.939 ( -1.272 0.017 0.561) 1.391 4.007 ( -1.361 2.738 -4.411) 5.367 4.062 ( -6.816 -6.815 0.540) 9.654 4.260 ( -3.539 6.585 -3.745) 8.362 4.462 ( 9.255 -0.781 4.008) 10.116 4.630 ( 6.741 8.376 -1.379) 10.840 4.676 ( 9.587 3.234 -1.116) 10.179 4.911 ( 2.071 11.151 6.095) 12.876 5.004 ( -0.813 5.032 1.376) 5.280 5.065 ( 3.844 0.157 0.749) 3.920 5.091 ( 5.252 -1.396 4.352) 6.963 5.310 ( -0.556 1.381 0.534) 1.581 5.315 ( -1.508 -2.237 -5.165) 5.828 5.491 ( 4.078 3.863 1.753) 5.884 5.581 ( -2.351 2.007 -4.312) 5.306 5.609 ( 2.341 -0.963 -1.343) 2.866 6.364 ( 4.983 4.799 8.051) 10.615 6.575 ( -0.201 -1.727 -9.572) 9.729 6.814 ( -3.209 -2.293 -0.157) 3.947 6.920 ( -2.562 -2.020 -2.191) 3.930 7.042 ( -1.480 -1.472 2.145) 2.993 7.249 ( -0.239 -1.385 -0.824) 1.629 7.459 ( -8.310 -8.425 -1.849) 11.977 7.639 ( -6.026 -3.138 -0.915) 6.855 7.763 ( 2.434 -1.435 -2.548) 3.805 7.801 ( 3.992 1.317 -0.522) 4.236 7.859 ( -0.979 2.116 -1.623) 2.840 8.041 ( -0.316 2.552 -2.074) 3.303 8.125 ( -1.992 -1.681 -0.944) 2.772 8.592 ( 0.057 -3.900 0.443) 3.926 8.614 ( -8.091 -6.205 2.883) 10.596 8.702 ( 0.812 0.940 0.401) 1.306 8.729 ( -0.039 0.410 1.530) 1.585 8.762 ( 5.974 3.296 -0.551) 6.845 8.787 ( -3.023 -3.126 -3.060) 5.317 8.851 ( -0.496 3.868 2.026) 4.394 8.863 ( -0.487 -1.963 1.984) 2.833 8.957 ( -1.675 -0.587 -1.295) 2.197 9.416 ( 7.928 6.265 0.843) 10.140 9.505 ( 13.378 9.350 7.205) 17.841 9.654 ( 11.442 10.199 -6.923) 16.818 9.843 ( 7.242 14.751 0.646) 16.446 9.924 ( 10.828 6.784 -0.228) 12.780 10.000 ( 7.418 13.221 0.308) 15.163 10.248 ( 10.585 -1.809 -0.010) 10.739 10.311 ( 4.355 12.520 -3.878) 13.811 10.614 ( 3.327 4.229 5.559) 7.737 10.732 ( -0.252 0.040 4.936) 4.942 11.136 ( -2.279 -2.784 -3.353) 4.918 11.185 ( -3.356 -3.735 -7.120) 8.712 12.285 ( -18.077 -11.421 0.836) 21.399 12.295 ( -14.754 -17.118 1.275) 22.635 12.641 ( -13.304 -15.847 4.221) 21.117 12.708 ( -13.078 -13.214 -2.074) 18.707 12.862 ( 1.137 -1.059 6.910) 7.082 13.003 ( 4.227 0.649 -7.378) 8.528 13.308 ( 2.964 3.465 7.608) 8.870 13.469 ( 1.840 2.775 -5.991) 6.854 14.070 ( 4.671 7.597 6.227) 10.877 14.179 ( 2.335 9.531 -3.851) 10.542 14.325 ( 10.431 13.443 5.037) 17.745 14.479 ( 17.850 6.985 -0.963) 19.192 14.853 ( -0.458 -0.298 13.701) 13.712 15.231 ( -2.069 -2.760 11.775) 12.269 15.741 ( -5.138 -3.404 -13.596) 14.928 15.800 ( -2.062 -2.562 -17.279) 17.589 18.019 ( -2.826 -0.944 3.995) 4.984 18.060 ( -3.121 0.069 0.180) 3.127 18.298 ( 8.679 -4.134 2.641) 9.969 18.510 ( 1.552 8.311 7.210) 11.111 18.643 ( -1.365 0.426 -5.855) 6.027 18.852 ( 3.769 1.626 -2.303) 4.707 18.977 ( -3.343 -3.383 -1.347) 4.943 19.225 ( -6.172 -1.087 9.663) 11.518 19.300 ( -1.527 -4.272 13.194) 13.952 19.647 ( 7.040 6.238 -4.969) 10.638 19.996 ( -9.660 -11.670 -10.759) 18.581 20.220 ( -3.345 -1.418 -12.745) 13.252 21.166 ( 3.265 2.922 2.530) 5.059 21.469 ( -2.352 -2.232 -1.685) 3.654 22.891 ( 2.862 2.864 3.577) 5.402 22.981 ( 1.277 1.281 -5.128) 5.437 ======================= Grid point 205 (50/55) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -8.236 -5.247 3.871) 10.504 1.995 ( -5.084 -9.895 6.703) 12.987 2.172 ( 2.139 0.549 9.932) 10.174 2.273 ( -0.436 -7.667 -0.229) 7.683 2.467 ( -0.651 -2.614 -5.945) 6.527 2.643 ( -5.835 1.292 -0.739) 6.022 2.778 ( -12.830 -13.317 0.664) 18.504 2.932 ( -1.185 6.155 2.760) 6.848 3.004 ( -2.441 5.989 -1.684) 6.683 3.204 ( 6.986 1.134 0.285) 7.083 3.436 ( -1.253 -22.368 0.029) 22.403 3.501 ( -4.839 -8.497 -3.064) 10.247 3.705 ( -5.481 2.193 8.813) 10.607 3.851 ( -3.500 2.628 -4.591) 6.343 3.925 ( 2.430 -4.057 -0.992) 4.832 4.023 ( 1.315 4.972 2.262) 5.618 4.047 ( -1.536 4.563 3.357) 5.869 4.236 ( 4.248 -2.958 -10.163) 11.405 4.639 ( 6.445 11.963 4.611) 14.350 4.717 ( 5.015 11.964 -0.109) 12.973 4.848 ( 6.711 -2.527 5.740) 9.185 4.938 ( 1.755 5.964 6.234) 8.804 5.047 ( 2.496 4.454 -4.996) 7.144 5.092 ( 0.470 1.600 1.109) 2.003 5.175 ( 1.987 0.598 1.724) 2.698 5.275 ( -2.455 0.709 -2.864) 3.838 5.370 ( 3.252 -5.755 3.316) 7.395 5.460 ( -3.857 -1.969 -3.101) 5.326 5.560 ( 0.670 5.815 0.239) 5.858 5.672 ( 2.257 -1.792 -5.395) 6.117 6.479 ( 5.692 3.884 6.189) 9.262 6.603 ( 3.215 0.125 -4.389) 5.442 6.720 ( -5.968 -2.057 0.249) 6.318 6.840 ( -4.741 0.178 -0.836) 4.817 7.032 ( 0.731 -1.896 -0.123) 2.036 7.239 ( -2.796 -2.381 0.109) 3.674 7.321 ( -2.497 -3.124 -2.257) 4.593 7.466 ( -10.034 -3.584 -0.949) 10.698 7.781 ( -2.223 -1.853 -1.349) 3.193 7.813 ( -0.534 -6.494 -3.411) 7.355 7.911 ( 6.489 -1.978 -1.048) 6.864 8.064 ( 3.050 -0.254 -2.206) 3.773 8.185 ( 6.220 0.596 -0.210) 6.252 8.436 ( -8.974 -2.047 0.711) 9.232 8.563 ( -4.344 4.197 0.668) 6.077 8.697 ( 0.481 -3.734 1.830) 4.186 8.706 ( -3.423 2.990 -1.189) 4.698 8.742 ( 0.767 -1.014 -2.203) 2.543 8.837 ( 0.170 0.038 3.821) 3.825 8.871 ( 2.724 3.347 0.452) 4.339 8.886 ( 0.272 1.597 0.058) 1.621 8.939 ( 0.932 1.228 -1.771) 2.348 9.571 ( 5.832 6.790 -0.002) 8.951 9.730 ( 8.519 14.756 4.715) 17.679 9.806 ( 2.877 12.793 -2.721) 13.392 9.866 ( -1.315 19.821 -0.510) 19.871 10.255 ( 19.379 -2.901 0.129) 19.596 10.303 ( 18.795 3.532 7.409) 20.509 10.473 ( 14.253 9.434 -4.988) 17.805 10.594 ( 18.124 -0.518 0.951) 18.157 10.684 ( 4.144 3.808 2.256) 6.063 10.720 ( -0.345 -0.604 4.652) 4.704 11.056 ( -6.605 -1.492 -8.737) 11.054 11.112 ( -3.684 -0.472 -3.518) 5.116 11.937 ( -16.255 -12.265 0.968) 20.386 11.945 ( -17.231 -13.053 0.532) 21.623 12.242 ( -22.341 -15.166 1.191) 27.029 12.392 ( -15.472 -16.748 -0.571) 22.808 12.937 ( 5.801 -1.511 4.837) 7.703 13.153 ( 5.196 -0.195 -1.297) 5.359 13.317 ( -1.077 5.130 2.900) 5.990 13.453 ( -2.696 1.329 -6.092) 6.793 14.206 ( 8.962 7.332 7.857) 13.993 14.326 ( 10.597 5.269 0.388) 11.841 14.475 ( 3.942 13.796 3.798) 14.842 14.802 ( 9.149 -2.560 17.127) 19.586 14.865 ( 3.251 7.278 0.258) 7.975 15.199 ( -0.083 0.597 7.124) 7.149 15.604 ( -7.460 -3.348 -17.001) 18.865 15.737 ( -3.789 -1.638 -16.569) 17.076 17.966 ( -0.818 -3.802 2.787) 4.784 18.057 ( 1.054 -0.893 1.534) 2.064 18.446 ( 4.824 -0.416 2.050) 5.258 18.507 ( -1.116 -7.521 1.708) 7.792 18.693 ( 3.714 5.357 -0.400) 6.531 18.811 ( -5.915 -7.072 0.004) 9.220 18.905 ( -2.269 -4.816 0.854) 5.392 19.184 ( -0.647 7.956 4.141) 8.992 19.250 ( 0.608 -0.149 9.809) 9.829 19.751 ( -11.491 -1.671 -7.847) 14.015 19.839 ( 8.790 2.539 -8.117) 12.230 20.127 ( -5.970 -0.959 -11.072) 12.616 21.243 ( 4.191 0.102 1.838) 4.578 21.402 ( -4.185 -2.255 -0.472) 4.777 22.956 ( 3.191 2.418 1.505) 4.277 23.005 ( 0.815 1.557 -3.268) 3.711 ======================= Grid point 206 (51/55) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 2.767 -7.387 0.305) 7.894 1.909 ( -1.742 -6.612 3.870) 7.857 2.181 ( -1.790 -5.600 6.795) 8.985 2.249 ( -4.249 0.290 10.202) 11.055 2.475 ( -4.403 -9.708 -1.429) 10.755 2.570 ( 9.189 -1.625 -5.015) 10.594 2.649 ( 1.837 -7.484 -5.817) 9.655 2.896 ( -2.262 2.635 0.397) 3.495 3.040 ( 2.719 3.822 1.520) 4.930 3.297 ( 1.705 -2.801 1.683) 3.686 3.434 ( 1.012 -13.808 1.696) 13.948 3.501 ( 0.958 -13.759 -4.487) 14.504 3.578 ( -2.426 -0.825 7.723) 8.137 3.768 ( -4.157 11.833 -1.529) 12.635 3.895 ( -5.018 -10.372 2.359) 11.761 4.044 ( 3.811 7.654 2.364) 8.872 4.124 ( 6.244 8.122 -3.664) 10.880 4.236 ( -4.465 1.193 -7.894) 9.147 4.733 ( 2.749 7.524 6.839) 10.533 4.818 ( -2.298 9.969 5.157) 11.456 4.865 ( 1.192 6.837 0.337) 6.948 4.944 ( -6.627 1.844 0.613) 6.906 5.055 ( 2.747 1.823 1.826) 3.769 5.158 ( 2.911 -1.964 -3.781) 5.160 5.222 ( 2.684 -0.577 2.931) 4.016 5.241 ( 1.276 -0.134 0.904) 1.569 5.319 ( -1.837 -0.632 -2.962) 3.542 5.442 ( -4.187 2.953 -1.530) 5.347 5.587 ( 3.080 -4.110 -1.264) 5.289 5.691 ( -0.519 0.776 -2.409) 2.583 6.530 ( -2.079 1.247 1.570) 2.889 6.615 ( -2.662 2.205 3.868) 5.187 6.700 ( 5.726 -0.109 -1.108) 5.833 6.767 ( -1.860 0.130 -0.533) 1.939 7.088 ( 5.339 -2.250 -3.322) 6.678 7.141 ( -5.048 -1.565 0.243) 5.290 7.302 ( -5.256 -3.020 -0.365) 6.073 7.370 ( 5.073 -1.777 -0.578) 5.406 7.746 ( -0.698 -6.152 -3.931) 7.334 7.798 ( -1.142 -5.696 -2.776) 6.438 8.035 ( 4.636 -3.512 0.289) 5.823 8.117 ( -0.102 -4.126 -1.926) 4.554 8.275 ( -6.778 -0.229 -1.186) 6.884 8.314 ( 6.499 0.085 2.767) 7.064 8.495 ( 0.244 4.765 -1.873) 5.125 8.609 ( -5.291 6.029 -1.893) 8.242 8.715 ( 0.881 -2.414 1.950) 3.226 8.787 ( 2.483 3.017 -0.925) 4.016 8.838 ( -0.020 -1.864 2.689) 3.272 8.869 ( -1.291 0.112 -0.224) 1.315 8.903 ( 1.066 1.671 -0.248) 1.997 8.960 ( -0.017 3.880 -0.064) 3.881 9.625 ( -0.026 10.644 -0.003) 10.644 9.734 ( -6.906 10.942 -0.161) 12.941 9.833 ( 2.576 14.973 0.900) 15.219 9.924 ( 4.421 20.784 0.832) 21.265 10.467 ( -3.118 -1.927 1.354) 3.907 10.580 ( 3.442 0.892 10.796) 11.366 10.611 ( -6.540 -0.068 7.218) 9.740 10.711 ( 5.615 7.967 1.394) 9.846 10.831 ( 9.969 0.252 -6.354) 11.824 10.846 ( -8.975 1.028 -4.158) 9.945 10.946 ( 6.098 -1.669 -6.442) 9.026 11.018 ( -6.293 2.146 -3.707) 7.612 11.701 ( -4.158 -13.340 0.559) 13.985 11.756 ( 2.931 -11.708 -0.046) 12.070 12.016 ( 3.350 -16.700 -0.596) 17.043 12.188 ( -2.232 -16.225 0.065) 16.378 13.036 ( -1.424 -1.881 3.616) 4.318 13.126 ( 0.006 -1.370 7.535) 7.659 13.290 ( -4.055 0.934 -8.406) 9.380 13.453 ( 3.307 5.188 -2.491) 6.637 14.370 ( 4.930 8.820 9.882) 14.133 14.485 ( -0.700 14.329 3.885) 14.863 14.504 ( 4.756 -2.760 4.263) 6.957 14.756 ( -8.828 4.123 12.197) 15.610 14.987 ( 5.127 -0.004 5.731) 7.689 15.151 ( -7.259 7.648 2.863) 10.926 15.569 ( 5.330 -4.917 -19.637) 20.933 15.676 ( -1.634 -0.810 -15.537) 15.644 17.982 ( 1.771 -4.120 3.220) 5.521 18.089 ( 1.964 -2.556 2.124) 3.861 18.358 ( -10.245 -2.793 0.173) 10.620 18.560 ( 4.880 -4.832 2.852) 7.436 18.679 ( -2.534 -5.148 0.434) 5.754 18.791 ( 3.211 -7.521 -6.240) 10.286 18.981 ( 8.536 -0.534 8.195) 11.845 19.057 ( -9.019 3.193 9.435) 13.437 19.422 ( 12.796 4.933 -2.692) 13.975 19.503 ( -11.680 5.512 -5.649) 14.096 19.984 ( -8.305 0.245 -8.904) 12.178 20.031 ( 8.655 1.174 -9.371) 12.811 21.314 ( -4.244 -1.720 0.997) 4.686 21.327 ( 4.069 -1.479 0.682) 4.383 23.002 ( -0.078 1.941 -0.912) 2.146 23.002 ( 0.082 1.944 -0.929) 2.156 ======================= Grid point 208 (52/55) ======================= q-point: (-0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 9.999 -4.535 6.207) 12.612 1.937 ( 2.417 -10.431 2.274) 10.947 2.127 ( 0.646 -2.043 6.046) 6.415 2.189 ( -0.133 -2.537 3.126) 4.028 2.503 ( 3.682 -5.614 -4.709) 8.200 2.724 ( 6.675 -5.704 -2.709) 9.188 2.761 ( 1.508 2.640 6.804) 7.452 2.929 ( 8.615 2.770 -8.562) 12.458 3.084 ( 2.675 -0.753 5.366) 6.042 3.261 ( -4.505 -13.601 1.564) 14.412 3.335 ( -5.743 -7.113 2.131) 9.387 3.549 ( 2.992 -0.365 0.577) 3.069 3.699 ( 8.433 1.819 0.093) 8.627 3.730 ( 2.522 4.309 1.702) 5.275 3.864 ( 3.135 -8.199 0.288) 8.783 4.077 ( -3.601 -3.462 -0.820) 5.062 4.098 ( -4.777 2.846 -4.821) 7.359 4.269 ( 6.197 2.941 -3.745) 7.815 4.589 ( -13.910 8.338 4.260) 16.768 4.762 ( -2.277 6.014 7.251) 9.692 4.789 ( -7.816 12.617 -0.503) 14.850 4.942 ( 4.874 6.641 -0.396) 8.247 5.040 ( -2.391 -2.057 4.583) 5.563 5.145 ( -6.868 -2.986 2.664) 7.949 5.226 ( -1.464 -0.231 -4.884) 5.104 5.248 ( -4.251 3.368 -1.789) 5.711 5.322 ( 2.521 -1.690 1.568) 3.416 5.456 ( 6.414 2.016 -2.814) 7.289 5.621 ( -0.919 -2.504 -0.475) 2.710 5.644 ( -3.522 1.090 -2.545) 4.480 6.461 ( -4.123 3.035 3.405) 6.149 6.564 ( -1.728 1.129 -0.523) 2.129 6.769 ( 1.723 -1.758 -0.580) 2.529 6.832 ( 6.529 -0.203 -1.629) 6.732 7.056 ( -2.946 -1.704 1.099) 3.577 7.215 ( 3.331 -1.911 -0.726) 3.908 7.285 ( 6.228 -3.638 -2.195) 7.540 7.508 ( 8.356 -3.748 -0.569) 9.176 7.741 ( 0.092 -4.213 -3.527) 5.495 7.789 ( 0.549 -1.883 -3.526) 4.035 7.982 ( -7.590 -2.865 2.481) 8.483 8.107 ( -1.647 -2.524 -2.991) 4.246 8.159 ( -4.729 0.198 -1.047) 4.848 8.463 ( 8.162 -1.801 3.686) 9.136 8.536 ( 0.720 2.856 0.027) 2.945 8.599 ( 6.749 2.450 -4.282) 8.360 8.729 ( 0.443 -2.726 1.008) 2.940 8.799 ( -1.356 3.012 0.073) 3.304 8.835 ( -2.445 2.978 -0.066) 3.853 8.840 ( 0.305 -1.417 2.021) 2.487 8.923 ( -1.382 1.257 0.350) 1.900 8.935 ( 0.018 0.700 -0.394) 0.803 9.575 ( -8.751 8.389 0.070) 12.123 9.595 ( -2.399 15.010 1.154) 15.244 9.871 ( 1.554 13.553 0.135) 13.642 9.921 ( -9.169 17.160 0.191) 19.457 10.251 ( -8.675 3.128 1.807) 9.397 10.343 ( -18.143 2.302 3.699) 18.659 10.386 ( -23.768 1.723 0.371) 23.833 10.607 ( -12.884 3.133 -6.703) 14.858 10.711 ( -2.751 2.663 8.575) 9.391 10.769 ( -8.435 1.151 3.459) 9.189 11.043 ( 6.735 -1.229 -8.129) 10.628 11.089 ( 5.954 -1.186 -5.021) 7.879 11.899 ( 19.652 -11.942 1.123) 23.023 12.007 ( 16.805 -15.309 -0.146) 22.733 12.276 ( 18.447 -15.180 2.122) 23.984 12.347 ( 17.118 -16.316 -0.627) 23.657 12.922 ( -5.423 4.708 5.003) 8.753 13.089 ( -6.417 -1.554 -5.230) 8.423 13.295 ( 4.011 1.034 5.137) 6.599 13.495 ( 0.275 3.005 -4.565) 5.472 14.303 ( -11.067 4.047 7.295) 13.859 14.382 ( -9.645 9.509 1.163) 13.595 14.562 ( -5.241 5.830 3.276) 8.496 14.564 ( -4.608 8.782 9.868) 13.991 14.909 ( -7.600 2.885 5.700) 9.928 15.150 ( 5.029 -0.905 6.162) 8.005 15.674 ( 3.092 -3.115 -14.130) 14.796 15.715 ( 5.590 -1.352 -16.839) 17.794 18.011 ( 0.811 -2.827 4.111) 5.054 18.095 ( -2.651 -8.228 0.329) 8.651 18.232 ( 0.276 7.786 1.148) 7.875 18.567 ( -1.652 -9.567 -0.521) 9.722 18.754 ( 5.306 -2.153 3.545) 6.735 18.815 ( -5.393 2.579 0.550) 6.003 18.916 ( 0.677 -3.477 -0.116) 3.544 19.157 ( 8.193 -0.676 11.430) 14.080 19.306 ( -7.346 5.189 1.249) 9.080 19.713 ( 15.588 -2.037 -7.798) 17.549 19.806 ( -9.196 3.126 -7.074) 12.016 20.164 ( 4.638 -1.183 -11.503) 12.459 21.233 ( -3.761 0.125 2.024) 4.272 21.408 ( 3.789 -2.225 -0.546) 4.428 22.956 ( -3.191 2.418 1.513) 4.280 23.005 ( -0.816 1.555 -3.273) 3.715 ======================= Grid point 212 (53/55) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -11.320 -4.977 3.434) 12.833 1.762 ( -4.435 -9.342 1.208) 10.411 2.109 ( 1.558 -5.267 4.291) 6.970 2.164 ( -1.164 -0.379 3.615) 3.816 2.417 ( -1.909 -2.128 0.608) 2.923 2.570 ( -11.531 -7.635 0.417) 13.836 2.735 ( -7.555 4.445 -3.070) 9.288 2.838 ( -7.010 -19.756 -4.526) 21.446 3.103 ( 0.562 0.870 4.423) 4.543 3.111 ( 0.959 2.298 1.572) 2.945 3.247 ( 0.636 1.373 -2.144) 2.624 3.392 ( -6.988 -3.332 -2.949) 8.285 3.643 ( -7.358 -3.590 4.859) 9.521 3.736 ( -0.530 -9.834 -2.038) 10.057 4.011 ( 4.637 7.963 4.857) 10.416 4.089 ( 8.219 2.809 4.911) 9.978 4.195 ( 5.654 8.581 -5.571) 11.689 4.310 ( 3.445 4.068 -7.373) 9.098 4.760 ( 6.370 1.071 6.589) 9.227 4.862 ( 2.008 6.553 6.145) 9.205 4.878 ( 0.083 2.501 6.441) 6.910 5.026 ( 1.007 -0.803 1.611) 2.063 5.085 ( 1.136 2.109 2.899) 3.760 5.166 ( 10.206 4.831 -3.637) 11.863 5.212 ( -1.076 0.220 -2.038) 2.316 5.269 ( -0.914 -2.909 2.819) 4.153 5.330 ( 0.139 5.978 -4.507) 7.488 5.405 ( -7.026 -3.490 -6.364) 10.101 5.586 ( 2.902 -3.106 -0.757) 4.317 5.684 ( -0.081 2.380 -4.397) 5.000 6.558 ( 5.702 2.246 4.878) 7.833 6.604 ( 2.755 1.968 4.912) 5.966 6.701 ( -4.363 0.189 -0.524) 4.399 6.810 ( -2.406 -3.528 -0.386) 4.288 7.029 ( -0.021 2.020 -1.170) 2.334 7.165 ( -3.198 -4.781 -2.157) 6.143 7.253 ( 0.774 -2.709 -1.325) 3.113 7.383 ( -7.788 -4.536 -0.466) 9.024 7.666 ( -2.983 -5.696 -3.455) 7.299 7.691 ( -6.262 -4.804 -3.718) 8.724 7.973 ( 2.586 5.432 1.175) 6.130 8.084 ( 0.512 0.868 -3.364) 3.511 8.224 ( 4.292 2.699 -0.576) 5.103 8.384 ( -5.437 -3.640 1.457) 6.703 8.595 ( 2.559 -2.985 2.313) 4.562 8.640 ( -3.588 1.108 -0.300) 3.767 8.704 ( 5.456 -0.714 -3.691) 6.625 8.768 ( -2.379 2.134 -0.566) 3.246 8.818 ( -1.022 -0.472 2.235) 2.502 8.900 ( -1.725 -1.314 -1.858) 2.856 8.952 ( 3.325 2.898 2.427) 5.034 8.987 ( 3.473 3.461 -0.977) 4.999 9.782 ( 10.552 12.594 -0.097) 16.430 9.945 ( 14.642 5.096 0.841) 15.526 10.126 ( 6.369 14.846 3.532) 16.536 10.200 ( 14.547 6.518 -2.206) 16.093 10.376 ( 3.086 13.826 3.633) 14.625 10.407 ( 5.510 14.284 8.692) 17.606 10.536 ( 18.876 0.438 -2.659) 19.067 10.701 ( 0.782 1.418 0.558) 1.713 10.766 ( 5.897 7.288 0.495) 9.388 10.802 ( 3.974 11.776 3.988) 13.053 11.000 ( -3.605 -3.894 -9.973) 11.297 11.092 ( 1.479 -1.909 -4.505) 5.111 11.598 ( -16.052 -19.629 1.593) 25.407 11.655 ( -17.830 -15.138 -0.155) 23.389 11.918 ( -22.187 -15.443 -0.166) 27.033 11.976 ( -16.180 -22.231 0.306) 27.497 12.971 ( 0.990 3.761 4.829) 6.200 13.100 ( 0.463 -3.544 0.205) 3.580 13.365 ( 5.612 -0.810 -1.039) 5.765 13.478 ( -4.251 1.690 -5.931) 7.491 14.395 ( 6.897 10.267 12.458) 17.555 14.523 ( 5.494 11.716 2.351) 13.152 14.705 ( 5.669 -5.802 21.726) 23.190 14.737 ( 4.147 8.765 11.812) 15.282 15.032 ( 6.530 10.570 -9.665) 15.741 15.179 ( 7.562 -2.658 -4.822) 9.354 15.565 ( -8.270 -0.571 -13.551) 15.885 15.662 ( -3.509 -6.156 -15.818) 17.333 17.925 ( -3.635 -0.667 4.278) 5.654 18.017 ( -1.485 -2.635 -0.586) 3.081 18.369 ( 4.891 -3.717 1.576) 6.342 18.429 ( -4.008 -1.150 -0.409) 4.190 18.643 ( -6.128 -7.580 2.282) 10.011 18.710 ( -9.517 -5.378 -4.292) 11.744 18.939 ( 4.127 8.285 7.011) 11.611 19.162 ( -0.819 -5.487 11.437) 12.711 19.403 ( 5.281 9.809 -1.101) 11.194 19.661 ( -3.437 -6.505 -4.659) 8.708 19.916 ( 7.135 4.951 -9.878) 13.153 20.113 ( -3.836 -1.317 -12.919) 13.541 21.248 ( 1.400 0.701 1.910) 2.469 21.347 ( -3.621 -3.119 0.288) 4.788 23.009 ( 2.569 2.570 0.491) 3.667 23.036 ( 1.259 1.262 -2.137) 2.783 ======================= Grid point 213 (54/55) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 1.336 -7.431 3.674) 8.397 1.705 ( -0.808 -8.688 -2.823) 9.171 2.088 ( -1.404 -0.808 4.222) 4.522 2.259 ( -8.126 -7.606 -0.797) 11.159 2.313 ( 7.173 0.342 12.885) 14.751 2.440 ( 3.443 -7.487 -0.384) 8.249 2.614 ( -1.049 -2.037 -11.187) 11.419 2.795 ( -0.953 -12.197 -3.047) 12.608 3.108 ( -0.080 -2.786 2.933) 4.046 3.134 ( 0.690 -0.752 5.637) 5.729 3.269 ( -0.867 0.135 -1.485) 1.725 3.354 ( 2.069 -4.488 -6.372) 8.064 3.565 ( 1.565 -0.426 3.289) 3.667 3.689 ( -3.337 -9.119 -1.472) 9.821 4.066 ( 1.661 13.507 6.609) 15.129 4.154 ( -2.076 4.607 8.133) 9.575 4.301 ( 4.087 9.451 -6.529) 12.192 4.338 ( -3.594 7.007 -9.535) 12.367 4.780 ( -0.969 -5.464 11.168) 12.471 4.887 ( 1.211 -3.697 4.412) 5.882 4.948 ( 4.122 5.042 3.930) 7.606 4.987 ( -4.832 6.241 4.849) 9.263 5.124 ( 1.513 -0.792 1.988) 2.620 5.184 ( -2.621 0.659 -1.910) 3.309 5.224 ( 1.457 -0.782 0.324) 1.685 5.276 ( -2.690 5.597 -3.869) 7.317 5.345 ( 1.108 -5.014 -6.561) 8.331 5.374 ( 4.606 5.624 -4.404) 8.500 5.580 ( -3.761 -0.306 0.405) 3.795 5.691 ( 1.408 -1.184 -6.020) 6.295 6.592 ( -2.109 4.701 3.743) 6.369 6.637 ( 0.053 0.482 8.823) 8.837 6.706 ( 3.681 -0.711 1.107) 3.909 6.750 ( -1.849 -1.213 -0.132) 2.215 7.068 ( 3.006 -0.084 -4.461) 5.380 7.097 ( -2.861 -1.894 -1.925) 3.934 7.256 ( -3.568 -1.501 -0.158) 3.874 7.301 ( 3.438 -4.451 -0.361) 5.636 7.614 ( -0.657 -5.926 -4.089) 7.230 7.640 ( 0.391 -7.610 -3.782) 8.507 8.029 ( 1.362 2.055 0.920) 2.631 8.094 ( -0.442 1.002 -4.094) 4.238 8.278 ( -2.780 -0.028 0.822) 2.899 8.308 ( 2.850 -1.501 1.004) 3.374 8.578 ( -1.643 3.255 -0.676) 3.709 8.637 ( 1.350 -3.003 1.431) 3.590 8.723 ( -1.881 4.917 -2.480) 5.820 8.787 ( -0.212 -1.153 1.296) 1.748 8.814 ( 2.279 -1.212 -0.145) 2.586 8.869 ( -0.499 -0.793 -2.454) 2.627 8.977 ( 0.038 3.983 2.310) 4.605 9.030 ( -0.091 2.851 -0.611) 2.917 9.937 ( 4.410 17.713 0.281) 18.256 9.997 ( -6.848 14.039 -0.120) 15.620 10.182 ( 0.627 18.435 2.438) 18.606 10.380 ( 1.090 20.620 3.425) 20.931 10.453 ( 0.180 1.394 1.224) 1.864 10.568 ( 5.593 -2.478 10.180) 11.877 10.616 ( -6.299 2.647 4.753) 8.323 10.838 ( 1.725 0.509 -5.452) 5.741 10.864 ( -0.037 0.690 -0.709) 0.990 10.911 ( 5.002 -0.149 -9.237) 10.505 10.924 ( -2.176 10.342 3.759) 11.217 11.077 ( -2.914 4.879 -5.263) 7.746 11.371 ( -3.775 -18.312 0.420) 18.702 11.453 ( 2.769 -16.691 -0.005) 16.919 11.668 ( 3.028 -17.884 -0.566) 18.148 11.749 ( -2.382 -25.235 -0.372) 25.350 13.016 ( 2.686 -0.167 3.170) 4.158 13.063 ( -2.839 -4.115 4.560) 6.767 13.376 ( -3.044 5.748 -6.518) 9.208 13.474 ( 2.721 -2.123 -3.988) 5.274 14.543 ( -2.613 5.796 13.102) 14.563 14.558 ( 7.147 8.365 18.698) 21.694 14.712 ( -5.651 5.702 7.541) 11.014 14.792 ( 1.906 -0.752 15.590) 15.724 15.098 ( 3.260 12.786 -12.561) 18.218 15.297 ( -10.737 6.291 -4.039) 13.083 15.468 ( 9.119 -4.954 -19.056) 21.699 15.603 ( -1.970 -6.936 -13.979) 15.729 17.906 ( 1.139 -3.528 5.046) 6.261 17.995 ( -0.623 -4.606 -1.431) 4.864 18.356 ( -2.176 0.165 2.142) 3.058 18.430 ( 0.245 -4.929 -1.014) 5.039 18.563 ( -1.304 -4.943 0.464) 5.133 18.621 ( 2.293 -8.396 -3.591) 9.415 19.040 ( 5.876 4.160 9.372) 11.818 19.092 ( -5.913 0.504 9.913) 11.554 19.524 ( 6.733 4.390 -2.194) 8.332 19.566 ( -6.366 1.024 -2.996) 7.110 20.019 ( -4.679 2.563 -11.893) 13.035 20.050 ( 4.788 0.799 -12.471) 13.383 21.280 ( -2.564 -1.443 1.390) 3.254 21.288 ( 2.496 -2.024 1.185) 3.425 23.043 ( -0.004 1.879 -0.790) 2.038 23.044 ( 0.006 1.862 -0.799) 2.026 ======================= Grid point 223 (55/55) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.71e-05 2.71e-05 2.71e-05 2.71e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 0.000 0.000 7.961) 7.961 1.630 ( 0.000 0.000 -9.434) 9.434 2.169 ( -0.000 -0.000 -1.806) 1.806 2.169 ( -0.000 0.000 -1.806) 1.806 2.242 ( 0.000 0.000 10.995) 10.995 2.368 ( 0.000 0.000 11.846) 11.846 2.487 ( 0.000 0.000 -5.520) 5.520 2.739 ( 0.000 0.000 -17.300) 17.300 3.094 ( 0.000 0.000 9.813) 9.813 3.094 ( -0.000 0.000 9.813) 9.813 3.311 ( -0.000 0.000 -7.014) 7.014 3.311 ( 0.000 0.000 -7.014) 7.014 3.555 ( 0.000 0.000 2.045) 2.045 3.592 ( 0.000 0.000 -2.170) 2.170 4.214 ( 0.000 0.000 9.153) 9.153 4.214 ( 0.000 0.000 9.153) 9.153 4.426 ( 0.000 0.000 -9.460) 9.460 4.426 ( 0.000 0.000 -9.460) 9.460 4.691 ( 0.000 0.000 13.759) 13.759 4.817 ( 0.000 0.000 4.008) 4.008 5.000 ( 0.000 0.000 7.481) 7.481 5.080 ( 0.000 -0.000 2.168) 2.168 5.136 ( -0.000 0.000 1.308) 1.308 5.136 ( 0.000 0.000 1.308) 1.308 5.206 ( 0.000 0.000 -4.194) 4.194 5.229 ( 0.000 0.000 -8.125) 8.125 5.453 ( -0.000 0.000 -2.797) 2.797 5.453 ( 0.000 0.000 -2.797) 2.797 5.531 ( 0.000 0.000 2.251) 2.251 5.666 ( 0.000 0.000 -9.584) 9.584 6.640 ( 0.000 0.000 10.132) 10.132 6.691 ( -0.000 -0.000 1.403) 1.403 6.691 ( 0.000 0.000 1.403) 1.403 6.698 ( 0.000 0.000 5.386) 5.386 7.069 ( 0.000 0.000 -4.762) 4.762 7.085 ( 0.000 0.000 -4.505) 4.505 7.242 ( 0.000 0.000 0.478) 0.478 7.242 ( 0.000 0.000 0.478) 0.478 7.547 ( 0.000 -0.000 -3.896) 3.896 7.563 ( 0.000 0.000 -5.127) 5.127 8.061 ( 0.000 0.000 0.173) 0.173 8.113 ( 0.000 0.000 -4.354) 4.354 8.276 ( 0.000 -0.000 1.272) 1.272 8.276 ( 0.000 0.000 1.272) 1.272 8.613 ( 0.000 -0.000 -0.000) 0.000 8.613 ( 0.000 0.000 -0.000) 0.000 8.767 ( 0.000 0.000 4.662) 4.662 8.796 ( 0.000 -0.000 -2.843) 2.843 8.796 ( 0.000 0.000 -2.843) 2.843 8.847 ( -0.000 0.000 -2.967) 2.967 9.014 ( 0.000 0.000 3.403) 3.403 9.063 ( 0.000 0.000 -1.348) 1.348 10.147 ( 0.000 0.000 2.158) 2.158 10.188 ( 0.000 0.000 -1.719) 1.719 10.412 ( 0.000 0.000 5.480) 5.480 10.496 ( 0.000 0.000 -2.879) 2.879 10.506 ( -0.000 0.000 9.222) 9.222 10.506 ( 0.000 0.000 9.222) 9.222 10.843 ( -0.000 -0.000 -6.818) 6.818 10.843 ( 0.000 -0.000 -6.818) 6.818 10.857 ( -0.000 0.000 2.500) 2.500 10.864 ( -0.000 0.000 1.187) 1.187 11.121 ( 0.000 -0.000 0.385) 0.385 11.121 ( 0.000 0.000 0.385) 0.385 11.173 ( -0.000 0.000 2.234) 2.234 11.271 ( 0.000 0.000 -6.714) 6.714 11.380 ( 0.000 -0.000 -0.790) 0.790 11.380 ( -0.000 0.000 -0.790) 0.790 13.016 ( 0.000 0.000 3.465) 3.465 13.016 ( 0.000 0.000 3.465) 3.465 13.441 ( 0.000 0.000 -5.510) 5.510 13.441 ( 0.000 0.000 -5.510) 5.510 14.621 ( 0.000 0.000 31.033) 31.033 14.665 ( 0.000 0.000 30.605) 30.605 14.755 ( -0.000 -0.000 -1.763) 1.763 14.755 ( 0.000 0.000 -1.763) 1.763 15.365 ( 0.000 -0.000 -23.993) 23.993 15.387 ( -0.000 0.000 -1.225) 1.225 15.387 ( 0.000 0.000 -1.225) 1.225 15.421 ( 0.000 0.000 -25.666) 25.666 17.863 ( 0.000 0.000 5.793) 5.793 17.949 ( 0.000 0.000 -2.577) 2.577 18.342 ( 0.000 0.000 2.287) 2.287 18.392 ( 0.000 0.000 -2.796) 2.796 18.523 ( 0.000 0.000 -0.756) 0.756 18.523 ( 0.000 0.000 -0.756) 0.756 19.079 ( 0.000 0.000 10.975) 10.975 19.101 ( 0.000 0.000 9.185) 9.185 19.570 ( 0.000 0.000 -2.062) 2.062 19.570 ( 0.000 0.000 -2.062) 2.062 20.046 ( 0.000 0.000 -12.596) 12.596 20.063 ( 0.000 0.000 -14.541) 14.541 21.265 ( 0.000 0.000 1.575) 1.575 21.265 ( 0.000 0.000 1.575) 1.575 23.064 ( 0.000 0.000 -0.737) 0.737 23.064 ( 0.000 0.000 -0.737) 0.737 =================== 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 3/31104 10.0 633.986 633.986 1081.683 -0.000 -0.000 0.000 3/31104 20.0 77.670 77.670 145.456 -0.000 -0.000 0.000 3/31104 30.0 28.409 28.409 51.158 -0.000 -0.000 0.000 3/31104 40.0 15.595 15.595 26.840 -0.000 0.000 0.000 3/31104 50.0 10.404 10.404 17.237 0.000 0.000 0.000 3/31104 60.0 7.716 7.716 12.412 0.000 0.000 0.000 3/31104 70.0 6.105 6.105 9.598 0.000 0.000 0.000 3/31104 80.0 5.049 5.049 7.788 0.000 0.000 0.000 3/31104 90.0 4.312 4.312 6.543 0.000 0.000 0.000 3/31104 100.0 3.774 3.774 5.643 0.000 0.000 0.000 3/31104 110.0 3.366 3.366 4.968 0.000 0.000 0.000 3/31104 120.0 3.048 3.048 4.444 0.000 0.000 0.000 3/31104 130.0 2.792 2.792 4.028 0.000 0.000 0.000 3/31104 140.0 2.583 2.583 3.690 0.000 0.000 0.000 3/31104 150.0 2.407 2.407 3.411 0.000 0.000 0.000 3/31104 160.0 2.257 2.257 3.176 0.000 0.000 0.000 3/31104 170.0 2.128 2.128 2.975 0.000 0.000 0.000 3/31104 180.0 2.015 2.015 2.801 0.000 0.000 0.000 3/31104 190.0 1.915 1.915 2.649 0.000 0.000 0.000 3/31104 200.0 1.825 1.825 2.515 0.000 0.000 0.000 3/31104 210.0 1.744 1.744 2.396 0.000 0.000 0.000 3/31104 220.0 1.671 1.671 2.288 0.000 0.000 0.000 3/31104 230.0 1.604 1.604 2.191 0.000 0.000 0.000 3/31104 240.0 1.543 1.543 2.103 0.000 0.000 0.000 3/31104 250.0 1.487 1.487 2.022 0.000 0.000 0.000 3/31104 260.0 1.434 1.434 1.948 0.000 0.000 0.000 3/31104 270.0 1.386 1.386 1.879 0.000 0.000 0.000 3/31104 280.0 1.340 1.340 1.816 0.000 0.000 0.000 3/31104 290.0 1.298 1.298 1.756 0.000 0.000 0.000 3/31104 300.0 1.258 1.258 1.701 0.000 0.000 0.000 3/31104 310.0 1.221 1.221 1.650 0.000 0.000 0.000 3/31104 320.0 1.186 1.186 1.601 0.000 0.000 0.000 3/31104 330.0 1.153 1.153 1.555 0.000 0.000 0.000 3/31104 340.0 1.121 1.121 1.512 0.000 0.000 0.000 3/31104 350.0 1.091 1.091 1.472 0.000 0.000 0.000 3/31104 360.0 1.063 1.063 1.433 0.000 0.000 0.000 3/31104 370.0 1.037 1.037 1.397 0.000 0.000 0.000 3/31104 380.0 1.011 1.011 1.362 0.000 0.000 0.000 3/31104 390.0 0.987 0.987 1.329 0.000 0.000 0.000 3/31104 400.0 0.964 0.964 1.297 0.000 0.000 0.000 3/31104 410.0 0.942 0.942 1.268 0.000 0.000 0.000 3/31104 420.0 0.921 0.921 1.239 0.000 0.000 0.000 3/31104 430.0 0.900 0.900 1.212 0.000 0.000 0.000 3/31104 440.0 0.881 0.881 1.186 0.000 0.000 0.000 3/31104 450.0 0.863 0.863 1.160 0.000 0.000 0.000 3/31104 460.0 0.845 0.845 1.136 0.000 0.000 0.000 3/31104 470.0 0.828 0.828 1.113 0.000 0.000 0.000 3/31104 480.0 0.811 0.811 1.091 0.000 0.000 0.000 3/31104 490.0 0.796 0.796 1.070 0.000 0.000 0.000 3/31104 500.0 0.780 0.780 1.050 0.000 0.000 0.000 3/31104 510.0 0.766 0.766 1.030 0.000 0.000 0.000 3/31104 520.0 0.752 0.752 1.011 0.000 0.000 0.000 3/31104 530.0 0.738 0.738 0.993 0.000 0.000 0.000 3/31104 540.0 0.725 0.725 0.975 0.000 0.000 0.000 3/31104 550.0 0.712 0.712 0.958 0.000 0.000 0.000 3/31104 560.0 0.700 0.700 0.942 0.000 0.000 0.000 3/31104 570.0 0.688 0.688 0.926 0.000 0.000 0.000 3/31104 580.0 0.677 0.677 0.910 0.000 0.000 0.000 3/31104 590.0 0.666 0.666 0.895 0.000 0.000 0.000 3/31104 600.0 0.655 0.655 0.881 0.000 0.000 0.000 3/31104 610.0 0.645 0.645 0.867 0.000 0.000 0.000 3/31104 620.0 0.635 0.635 0.853 0.000 0.000 0.000 3/31104 630.0 0.625 0.625 0.840 0.000 0.000 0.000 3/31104 640.0 0.616 0.616 0.828 0.000 0.000 0.000 3/31104 650.0 0.606 0.606 0.815 0.000 0.000 0.000 3/31104 660.0 0.598 0.598 0.803 0.000 0.000 0.000 3/31104 670.0 0.589 0.589 0.792 0.000 0.000 0.000 3/31104 680.0 0.580 0.580 0.780 0.000 0.000 0.000 3/31104 690.0 0.572 0.572 0.769 0.000 0.000 0.000 3/31104 700.0 0.564 0.564 0.759 0.000 0.000 0.000 3/31104 710.0 0.557 0.557 0.748 0.000 0.000 0.000 3/31104 720.0 0.549 0.549 0.738 0.000 0.000 0.000 3/31104 730.0 0.542 0.542 0.728 0.000 0.000 0.000 3/31104 740.0 0.535 0.535 0.719 0.000 0.000 0.000 3/31104 750.0 0.528 0.528 0.709 0.000 0.000 0.000 3/31104 760.0 0.521 0.521 0.700 0.000 0.000 0.000 3/31104 770.0 0.514 0.514 0.691 0.000 0.000 0.000 3/31104 780.0 0.508 0.508 0.683 0.000 0.000 0.000 3/31104 790.0 0.502 0.502 0.674 0.000 0.000 0.000 3/31104 800.0 0.495 0.495 0.666 0.000 0.000 0.000 3/31104 810.0 0.489 0.489 0.658 0.000 0.000 0.000 3/31104 820.0 0.484 0.484 0.650 0.000 0.000 0.000 3/31104 830.0 0.478 0.478 0.642 0.000 0.000 0.000 3/31104 840.0 0.472 0.472 0.635 0.000 0.000 0.000 3/31104 850.0 0.467 0.467 0.628 0.000 0.000 0.000 3/31104 860.0 0.461 0.461 0.621 0.000 0.000 0.000 3/31104 870.0 0.456 0.456 0.614 0.000 0.000 0.000 3/31104 880.0 0.451 0.451 0.607 0.000 0.000 0.000 3/31104 890.0 0.446 0.446 0.600 0.000 0.000 0.000 3/31104 900.0 0.441 0.441 0.593 0.000 0.000 0.000 3/31104 910.0 0.437 0.437 0.587 0.000 0.000 0.000 3/31104 920.0 0.432 0.432 0.581 0.000 0.000 0.000 3/31104 930.0 0.427 0.427 0.575 0.000 0.000 0.000 3/31104 940.0 0.423 0.423 0.569 0.000 0.000 0.000 3/31104 950.0 0.418 0.418 0.563 0.000 0.000 0.000 3/31104 960.0 0.414 0.414 0.557 0.000 0.000 0.000 3/31104 970.0 0.410 0.410 0.551 0.000 0.000 0.000 3/31104 980.0 0.406 0.406 0.546 0.000 0.000 0.000 3/31104 990.0 0.402 0.402 0.540 0.000 0.000 0.000 3/31104 1000.0 0.398 0.398 0.535 0.000 0.000 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m669.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:46:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|