----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:22:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.407876299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.494563369999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.248269890000000 Atomic positions (fractional): *1 Yb 0.94484661865170 0.25000000000000 0.98614279183039 173.054 2 Yb 0.44484661865170 0.25000000000000 0.51385720816961 173.054 3 Yb 0.55515338134830 0.75000000000000 0.48614279183039 173.054 4 Yb 0.05515338134830 0.75000000000000 0.01385720816961 173.054 *5 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 6 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 7 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 8 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 *9 O 0.52471531617437 0.25000000000000 0.08974841506257 15.999 *10 O 0.79529491251116 0.54729582629992 0.20356705259038 15.999 11 O 0.79529491251116 0.95270417370008 0.20356705259038 15.999 12 O 0.29529491251116 0.95270417370008 0.29643294740962 15.999 13 O 0.29529491251116 0.54729582629992 0.29643294740962 15.999 14 O 0.02471531617437 0.25000000000000 0.41025158493744 15.999 15 O 0.97528468382563 0.75000000000000 0.58974841506257 15.999 16 O 0.70470508748884 0.45270417370008 0.70356705259038 15.999 17 O 0.70470508748884 0.04729582629992 0.70356705259038 15.999 18 O 0.20470508748884 0.04729582629992 0.79643294740962 15.999 19 O 0.20470508748884 0.45270417370008 0.79643294740962 15.999 20 O 0.47528468382563 0.75000000000000 0.91025158493743 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.407876299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.494563369999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.248269890000000 Atomic positions (fractional): *1 Yb 0.94484661865170 0.25000000000000 0.98614279183039 173.054 > 1 2 Yb 0.44484661865170 0.25000000000000 0.51385720816961 173.054 > 2 3 Yb 0.55515338134830 0.75000000000000 0.48614279183039 173.054 > 3 4 Yb 0.05515338134830 0.75000000000000 0.01385720816961 173.054 > 4 *5 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 5 6 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 6 7 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 7 8 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 8 *9 O 0.52471531617437 0.25000000000000 0.08974841506257 15.999 > 9 *10 O 0.79529491251116 0.54729582629992 0.20356705259038 15.999 > 10 11 O 0.79529491251116 0.95270417370008 0.20356705259038 15.999 > 11 12 O 0.29529491251116 0.95270417370008 0.29643294740962 15.999 > 12 13 O 0.29529491251116 0.54729582629992 0.29643294740962 15.999 > 13 14 O 0.02471531617437 0.25000000000000 0.41025158493744 15.999 > 14 15 O 0.97528468382563 0.75000000000000 0.58974841506257 15.999 > 15 16 O 0.70470508748884 0.45270417370008 0.70356705259038 15.999 > 16 17 O 0.70470508748884 0.04729582629992 0.70356705259038 15.999 > 17 18 O 0.20470508748884 0.04729582629992 0.79643294740962 15.999 > 18 19 O 0.20470508748884 0.45270417370008 0.79643294740962 15.999 > 19 20 O 0.47528468382563 0.75000000000000 0.91025158493743 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.815752599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.494563369999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.496539780000001 Atomic positions (fractional): *1 Yb 0.47242330932585 0.25000000000000 0.49307139591519 173.054 > 1 2 Yb 0.97242330932585 0.25000000000000 0.49307139591519 173.054 > 1 3 Yb 0.47242330932585 0.25000000000000 0.99307139591519 173.054 > 1 4 Yb 0.97242330932585 0.25000000000000 0.99307139591519 173.054 > 1 5 Yb 0.22242330932585 0.25000000000000 0.25692860408481 173.054 > 2 6 Yb 0.72242330932585 0.25000000000000 0.25692860408481 173.054 > 2 7 Yb 0.22242330932585 0.25000000000000 0.75692860408481 173.054 > 2 8 Yb 0.72242330932585 0.25000000000000 0.75692860408481 173.054 > 2 9 Yb 0.27757669067415 0.75000000000000 0.24307139591519 173.054 > 3 10 Yb 0.77757669067415 0.75000000000000 0.24307139591519 173.054 > 3 11 Yb 0.27757669067415 0.75000000000000 0.74307139591519 173.054 > 3 12 Yb 0.77757669067415 0.75000000000000 0.74307139591519 173.054 > 3 13 Yb 0.02757669067415 0.75000000000000 0.00692860408481 173.054 > 4 14 Yb 0.52757669067415 0.75000000000000 0.00692860408481 173.054 > 4 15 Yb 0.02757669067415 0.75000000000000 0.50692860408481 173.054 > 4 16 Yb 0.52757669067415 0.75000000000000 0.50692860408481 173.054 > 4 *17 Ti 0.25000000000000 0.50000000000000 0.00000000000000 47.867 > 5 18 Ti 0.75000000000000 0.50000000000000 0.00000000000000 47.867 > 5 19 Ti 0.25000000000000 0.50000000000000 0.50000000000000 47.867 > 5 20 Ti 0.75000000000000 0.50000000000000 0.50000000000000 47.867 > 5 21 Ti 0.25000000000000 0.00000000000000 0.00000000000000 47.867 > 6 22 Ti 0.75000000000000 0.00000000000000 0.00000000000000 47.867 > 6 23 Ti 0.25000000000000 0.00000000000000 0.50000000000000 47.867 > 6 24 Ti 0.75000000000000 0.00000000000000 0.50000000000000 47.867 > 6 25 Ti 0.00000000000000 0.50000000000000 0.25000000000000 47.867 > 7 26 Ti 0.50000000000000 0.50000000000000 0.25000000000000 47.867 > 7 27 Ti 0.00000000000000 0.50000000000000 0.75000000000000 47.867 > 7 28 Ti 0.50000000000000 0.50000000000000 0.75000000000000 47.867 > 7 29 Ti 0.00000000000000 0.00000000000000 0.25000000000000 47.867 > 8 30 Ti 0.50000000000000 0.00000000000000 0.25000000000000 47.867 > 8 31 Ti 0.00000000000000 0.00000000000000 0.75000000000000 47.867 > 8 32 Ti 0.50000000000000 0.00000000000000 0.75000000000000 47.867 > 8 *33 O 0.26235765808718 0.25000000000000 0.04487420753128 15.999 > 9 34 O 0.76235765808718 0.25000000000000 0.04487420753128 15.999 > 9 35 O 0.26235765808718 0.25000000000000 0.54487420753128 15.999 > 9 36 O 0.76235765808718 0.25000000000000 0.54487420753128 15.999 > 9 *37 O 0.39764745625558 0.54729582629992 0.10178352629519 15.999 > 10 38 O 0.89764745625558 0.54729582629992 0.10178352629519 15.999 > 10 39 O 0.39764745625558 0.54729582629992 0.60178352629519 15.999 > 10 40 O 0.89764745625558 0.54729582629992 0.60178352629519 15.999 > 10 41 O 0.39764745625558 0.95270417370008 0.10178352629519 15.999 > 11 42 O 0.89764745625558 0.95270417370008 0.10178352629519 15.999 > 11 43 O 0.39764745625558 0.95270417370008 0.60178352629519 15.999 > 11 44 O 0.89764745625558 0.95270417370008 0.60178352629519 15.999 > 11 45 O 0.14764745625558 0.95270417370008 0.14821647370481 15.999 > 12 46 O 0.64764745625558 0.95270417370008 0.14821647370481 15.999 > 12 47 O 0.14764745625558 0.95270417370008 0.64821647370481 15.999 > 12 48 O 0.64764745625558 0.95270417370008 0.64821647370481 15.999 > 12 49 O 0.14764745625558 0.54729582629992 0.14821647370481 15.999 > 13 50 O 0.64764745625558 0.54729582629992 0.14821647370481 15.999 > 13 51 O 0.14764745625558 0.54729582629992 0.64821647370481 15.999 > 13 52 O 0.64764745625558 0.54729582629992 0.64821647370481 15.999 > 13 53 O 0.01235765808718 0.25000000000000 0.20512579246872 15.999 > 14 54 O 0.51235765808718 0.25000000000000 0.20512579246872 15.999 > 14 55 O 0.01235765808718 0.25000000000000 0.70512579246872 15.999 > 14 56 O 0.51235765808718 0.25000000000000 0.70512579246872 15.999 > 14 57 O 0.48764234191282 0.75000000000000 0.29487420753128 15.999 > 15 58 O 0.98764234191282 0.75000000000000 0.29487420753128 15.999 > 15 59 O 0.48764234191282 0.75000000000000 0.79487420753128 15.999 > 15 60 O 0.98764234191282 0.75000000000000 0.79487420753128 15.999 > 15 61 O 0.35235254374442 0.45270417370008 0.35178352629519 15.999 > 16 62 O 0.85235254374442 0.45270417370008 0.35178352629519 15.999 > 16 63 O 0.35235254374442 0.45270417370008 0.85178352629519 15.999 > 16 64 O 0.85235254374442 0.45270417370008 0.85178352629519 15.999 > 16 65 O 0.35235254374442 0.04729582629992 0.35178352629519 15.999 > 17 66 O 0.85235254374442 0.04729582629992 0.35178352629519 15.999 > 17 67 O 0.35235254374442 0.04729582629992 0.85178352629519 15.999 > 17 68 O 0.85235254374442 0.04729582629992 0.85178352629519 15.999 > 17 69 O 0.10235254374442 0.04729582629992 0.39821647370481 15.999 > 18 70 O 0.60235254374442 0.04729582629992 0.39821647370481 15.999 > 18 71 O 0.10235254374442 0.04729582629992 0.89821647370481 15.999 > 18 72 O 0.60235254374442 0.04729582629992 0.89821647370481 15.999 > 18 73 O 0.10235254374442 0.45270417370008 0.39821647370481 15.999 > 19 74 O 0.60235254374442 0.45270417370008 0.39821647370481 15.999 > 19 75 O 0.10235254374442 0.45270417370008 0.89821647370481 15.999 > 19 76 O 0.60235254374442 0.45270417370008 0.89821647370481 15.999 > 19 77 O 0.23764234191282 0.75000000000000 0.45512579246872 15.999 > 20 78 O 0.73764234191282 0.75000000000000 0.45512579246872 15.999 > 20 79 O 0.23764234191282 0.75000000000000 0.95512579246872 15.999 > 20 80 O 0.73764234191282 0.75000000000000 0.95512579246872 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5399784 0.0000000 0.0000000 0.0000000 6.4033609 0.0000000 0.0000000 0.0000000 6.3616412 -------------------------- Born effective charges -------------------------- 1 Yb 2.4447985 0.0000000 -0.2062666 0.0000000 2.3676769 0.0000000 -0.1747830 0.0000000 2.4841805 2 Yb 2.4447985 0.0000000 0.2062666 0.0000000 2.3676769 0.0000000 0.1747830 0.0000000 2.4841805 3 Yb 2.4447985 0.0000000 0.2062666 0.0000000 2.3676769 0.0000000 0.1747830 0.0000000 2.4841805 4 Yb 2.4447985 0.0000000 -0.2062666 0.0000000 2.3676769 0.0000000 -0.1747830 0.0000000 2.4841805 5 Ti 7.0964837 -0.0880289 -0.5608100 -0.2617844 7.0368487 -0.8184764 0.7457683 1.0353360 6.8851691 6 Ti 7.0964837 0.0880289 -0.5608100 0.2617844 7.0368487 0.8184764 0.7457683 -1.0353360 6.8851691 7 Ti 7.0964837 -0.0880289 0.5608100 -0.2617844 7.0368487 0.8184764 -0.7457683 -1.0353360 6.8851691 8 Ti 7.0964837 0.0880289 0.5608100 0.2617844 7.0368487 -0.8184764 -0.7457683 1.0353360 6.8851691 9 O -1.8879600 0.0000000 0.2056765 0.0000000 -5.4544699 0.0000000 0.0069955 0.0000000 -2.1322952 10 O -3.8266611 -0.0848565 -1.7107587 -0.1254026 -1.9750279 -0.0079240 -1.6785717 -0.0089058 -3.6185272 11 O -3.8266611 0.0848565 -1.7107587 0.1254026 -1.9750279 0.0079240 -1.6785717 0.0089058 -3.6185272 12 O -3.8266611 0.0848565 1.7107587 0.1254026 -1.9750279 -0.0079240 1.6785717 -0.0089058 -3.6185272 13 O -3.8266611 -0.0848565 1.7107587 -0.1254026 -1.9750279 0.0079240 1.6785717 0.0089058 -3.6185272 14 O -1.8879600 0.0000000 -0.2056765 0.0000000 -5.4544699 0.0000000 -0.0069955 0.0000000 -2.1322952 15 O -1.8879600 0.0000000 -0.2056765 0.0000000 -5.4544699 0.0000000 -0.0069955 0.0000000 -2.1322952 16 O -3.8266611 -0.0848565 1.7107587 -0.1254026 -1.9750279 0.0079240 1.6785717 0.0089058 -3.6185272 17 O -3.8266611 0.0848565 1.7107587 0.1254026 -1.9750279 -0.0079240 1.6785717 -0.0089058 -3.6185272 18 O -3.8266611 0.0848565 -1.7107587 0.1254026 -1.9750279 0.0079240 -1.6785717 0.0089058 -3.6185272 19 O -3.8266611 -0.0848565 -1.7107587 -0.1254026 -1.9750279 -0.0079240 -1.6785717 -0.0089058 -3.6185272 20 O -1.8879600 0.0000000 0.2056765 0.0000000 -5.4544699 0.0000000 0.0069955 0.0000000 -2.1322952 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.733 Solver_block: 200 / 320 - Time: 0.747 Solver_block: 300 / 320 - Time: 0.746 Solver_block: 320 / 320 - Time: 0.192 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.434 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:22:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:22:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.407876299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.494563369999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.248269890000000 Atomic positions (fractional): 1 Yb 0.94484661865170 0.25000000000000 0.98614279183039 173.054 2 Yb 0.44484661865170 0.25000000000000 0.51385720816961 173.054 3 Yb 0.55515338134830 0.75000000000000 0.48614279183039 173.054 4 Yb 0.05515338134830 0.75000000000000 0.01385720816961 173.054 5 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 6 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 7 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 8 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 9 O 0.52471531617437 0.25000000000000 0.08974841506257 15.999 10 O 0.79529491251116 0.54729582629992 0.20356705259038 15.999 11 O 0.79529491251116 0.95270417370008 0.20356705259038 15.999 12 O 0.29529491251116 0.95270417370008 0.29643294740962 15.999 13 O 0.29529491251116 0.54729582629992 0.29643294740962 15.999 14 O 0.02471531617437 0.25000000000000 0.41025158493744 15.999 15 O 0.97528468382563 0.75000000000000 0.58974841506257 15.999 16 O 0.70470508748884 0.45270417370008 0.70356705259038 15.999 17 O 0.70470508748884 0.04729582629992 0.70356705259038 15.999 18 O 0.20470508748884 0.04729582629992 0.79643294740962 15.999 19 O 0.20470508748884 0.45270417370008 0.79643294740962 15.999 20 O 0.47528468382563 0.75000000000000 0.91025158493743 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.815752599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.494563369999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.496539780000001 Atomic positions (fractional): 1 Yb 0.47242330932585 0.25000000000000 0.49307139591519 173.054 > 1 2 Yb 0.97242330932585 0.25000000000000 0.49307139591519 173.054 > 1 3 Yb 0.47242330932585 0.25000000000000 0.99307139591519 173.054 > 1 4 Yb 0.97242330932585 0.25000000000000 0.99307139591519 173.054 > 1 5 Yb 0.22242330932585 0.25000000000000 0.25692860408481 173.054 > 5 6 Yb 0.72242330932585 0.25000000000000 0.25692860408481 173.054 > 5 7 Yb 0.22242330932585 0.25000000000000 0.75692860408481 173.054 > 5 8 Yb 0.72242330932585 0.25000000000000 0.75692860408481 173.054 > 5 9 Yb 0.27757669067415 0.75000000000000 0.24307139591519 173.054 > 9 10 Yb 0.77757669067415 0.75000000000000 0.24307139591519 173.054 > 9 11 Yb 0.27757669067415 0.75000000000000 0.74307139591519 173.054 > 9 12 Yb 0.77757669067415 0.75000000000000 0.74307139591519 173.054 > 9 13 Yb 0.02757669067415 0.75000000000000 0.00692860408481 173.054 > 13 14 Yb 0.52757669067415 0.75000000000000 0.00692860408481 173.054 > 13 15 Yb 0.02757669067415 0.75000000000000 0.50692860408481 173.054 > 13 16 Yb 0.52757669067415 0.75000000000000 0.50692860408481 173.054 > 13 17 Ti 0.25000000000000 0.50000000000000 0.00000000000000 47.867 > 17 18 Ti 0.75000000000000 0.50000000000000 0.00000000000000 47.867 > 17 19 Ti 0.25000000000000 0.50000000000000 0.50000000000000 47.867 > 17 20 Ti 0.75000000000000 0.50000000000000 0.50000000000000 47.867 > 17 21 Ti 0.25000000000000 0.00000000000000 0.00000000000000 47.867 > 21 22 Ti 0.75000000000000 0.00000000000000 0.00000000000000 47.867 > 21 23 Ti 0.25000000000000 0.00000000000000 0.50000000000000 47.867 > 21 24 Ti 0.75000000000000 0.00000000000000 0.50000000000000 47.867 > 21 25 Ti 0.00000000000000 0.50000000000000 0.25000000000000 47.867 > 25 26 Ti 0.50000000000000 0.50000000000000 0.25000000000000 47.867 > 25 27 Ti 0.00000000000000 0.50000000000000 0.75000000000000 47.867 > 25 28 Ti 0.50000000000000 0.50000000000000 0.75000000000000 47.867 > 25 29 Ti 0.00000000000000 0.00000000000000 0.25000000000000 47.867 > 29 30 Ti 0.50000000000000 0.00000000000000 0.25000000000000 47.867 > 29 31 Ti 0.00000000000000 0.00000000000000 0.75000000000000 47.867 > 29 32 Ti 0.50000000000000 0.00000000000000 0.75000000000000 47.867 > 29 33 O 0.26235765808718 0.25000000000000 0.04487420753128 15.999 > 33 34 O 0.76235765808718 0.25000000000000 0.04487420753128 15.999 > 33 35 O 0.26235765808718 0.25000000000000 0.54487420753128 15.999 > 33 36 O 0.76235765808718 0.25000000000000 0.54487420753128 15.999 > 33 37 O 0.39764745625558 0.54729582629992 0.10178352629519 15.999 > 37 38 O 0.89764745625558 0.54729582629992 0.10178352629519 15.999 > 37 39 O 0.39764745625558 0.54729582629992 0.60178352629519 15.999 > 37 40 O 0.89764745625558 0.54729582629992 0.60178352629519 15.999 > 37 41 O 0.39764745625558 0.95270417370008 0.10178352629519 15.999 > 41 42 O 0.89764745625558 0.95270417370008 0.10178352629519 15.999 > 41 43 O 0.39764745625558 0.95270417370008 0.60178352629519 15.999 > 41 44 O 0.89764745625558 0.95270417370008 0.60178352629519 15.999 > 41 45 O 0.14764745625558 0.95270417370008 0.14821647370481 15.999 > 45 46 O 0.64764745625558 0.95270417370008 0.14821647370481 15.999 > 45 47 O 0.14764745625558 0.95270417370008 0.64821647370481 15.999 > 45 48 O 0.64764745625558 0.95270417370008 0.64821647370481 15.999 > 45 49 O 0.14764745625558 0.54729582629992 0.14821647370481 15.999 > 49 50 O 0.64764745625558 0.54729582629992 0.14821647370481 15.999 > 49 51 O 0.14764745625558 0.54729582629992 0.64821647370481 15.999 > 49 52 O 0.64764745625558 0.54729582629992 0.64821647370481 15.999 > 49 53 O 0.01235765808718 0.25000000000000 0.20512579246872 15.999 > 53 54 O 0.51235765808718 0.25000000000000 0.20512579246872 15.999 > 53 55 O 0.01235765808718 0.25000000000000 0.70512579246872 15.999 > 53 56 O 0.51235765808718 0.25000000000000 0.70512579246872 15.999 > 53 57 O 0.48764234191282 0.75000000000000 0.29487420753128 15.999 > 57 58 O 0.98764234191282 0.75000000000000 0.29487420753128 15.999 > 57 59 O 0.48764234191282 0.75000000000000 0.79487420753128 15.999 > 57 60 O 0.98764234191282 0.75000000000000 0.79487420753128 15.999 > 57 61 O 0.35235254374442 0.45270417370008 0.35178352629519 15.999 > 61 62 O 0.85235254374442 0.45270417370008 0.35178352629519 15.999 > 61 63 O 0.35235254374442 0.45270417370008 0.85178352629519 15.999 > 61 64 O 0.85235254374442 0.45270417370008 0.85178352629519 15.999 > 61 65 O 0.35235254374442 0.04729582629992 0.35178352629519 15.999 > 65 66 O 0.85235254374442 0.04729582629992 0.35178352629519 15.999 > 65 67 O 0.35235254374442 0.04729582629992 0.85178352629519 15.999 > 65 68 O 0.85235254374442 0.04729582629992 0.85178352629519 15.999 > 65 69 O 0.10235254374442 0.04729582629992 0.39821647370481 15.999 > 69 70 O 0.60235254374442 0.04729582629992 0.39821647370481 15.999 > 69 71 O 0.10235254374442 0.04729582629992 0.89821647370481 15.999 > 69 72 O 0.60235254374442 0.04729582629992 0.89821647370481 15.999 > 69 73 O 0.10235254374442 0.45270417370008 0.39821647370481 15.999 > 73 74 O 0.60235254374442 0.45270417370008 0.39821647370481 15.999 > 73 75 O 0.10235254374442 0.45270417370008 0.89821647370481 15.999 > 73 76 O 0.60235254374442 0.45270417370008 0.89821647370481 15.999 > 73 77 O 0.23764234191282 0.75000000000000 0.45512579246872 15.999 > 77 78 O 0.73764234191282 0.75000000000000 0.45512579246872 15.999 > 77 79 O 0.23764234191282 0.75000000000000 0.95512579246872 15.999 > 77 80 O 0.73764234191282 0.75000000000000 0.95512579246872 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5399784 0.0000000 0.0000000 0.0000000 6.4033609 0.0000000 0.0000000 0.0000000 6.3616412 -------------------------- Born effective charges -------------------------- 1 Yb 2.4447985 0.0000000 -0.2062666 0.0000000 2.3676769 0.0000000 -0.1747830 0.0000000 2.4841805 2 Yb 2.4447985 0.0000000 0.2062666 0.0000000 2.3676769 0.0000000 0.1747830 0.0000000 2.4841805 3 Yb 2.4447985 0.0000000 0.2062666 0.0000000 2.3676769 0.0000000 0.1747830 0.0000000 2.4841805 4 Yb 2.4447985 0.0000000 -0.2062666 0.0000000 2.3676769 0.0000000 -0.1747830 0.0000000 2.4841805 5 Ti 7.0964837 -0.0880289 -0.5608100 -0.2617844 7.0368487 -0.8184764 0.7457683 1.0353360 6.8851691 6 Ti 7.0964837 0.0880289 -0.5608100 0.2617844 7.0368487 0.8184764 0.7457683 -1.0353360 6.8851691 7 Ti 7.0964837 -0.0880289 0.5608100 -0.2617844 7.0368487 0.8184764 -0.7457683 -1.0353360 6.8851691 8 Ti 7.0964837 0.0880289 0.5608100 0.2617844 7.0368487 -0.8184764 -0.7457683 1.0353360 6.8851691 9 O -1.8879600 0.0000000 0.2056765 0.0000000 -5.4544699 0.0000000 0.0069955 0.0000000 -2.1322952 10 O -3.8266611 -0.0848565 -1.7107587 -0.1254026 -1.9750279 -0.0079240 -1.6785717 -0.0089058 -3.6185272 11 O -3.8266611 0.0848565 -1.7107587 0.1254026 -1.9750279 0.0079240 -1.6785717 0.0089058 -3.6185272 12 O -3.8266611 0.0848565 1.7107587 0.1254026 -1.9750279 -0.0079240 1.6785717 -0.0089058 -3.6185272 13 O -3.8266611 -0.0848565 1.7107587 -0.1254026 -1.9750279 0.0079240 1.6785717 0.0089058 -3.6185272 14 O -1.8879600 0.0000000 -0.2056765 0.0000000 -5.4544699 0.0000000 -0.0069955 0.0000000 -2.1322952 15 O -1.8879600 0.0000000 -0.2056765 0.0000000 -5.4544699 0.0000000 -0.0069955 0.0000000 -2.1322952 16 O -3.8266611 -0.0848565 1.7107587 -0.1254026 -1.9750279 0.0079240 1.6785717 0.0089058 -3.6185272 17 O -3.8266611 0.0848565 1.7107587 0.1254026 -1.9750279 -0.0079240 1.6785717 -0.0089058 -3.6185272 18 O -3.8266611 0.0848565 -1.7107587 0.1254026 -1.9750279 0.0079240 -1.6785717 0.0089058 -3.6185272 19 O -3.8266611 -0.0848565 -1.7107587 -0.1254026 -1.9750279 -0.0079240 -1.6785717 -0.0089058 -3.6185272 20 O -1.8879600 0.0000000 0.2056765 0.0000000 -5.4544699 0.0000000 0.0069955 0.0000000 -2.1322952 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000017 (zxz) -0.00000017 (zxz) -0.00000017 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000010 (yx) -0.00000010 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:22:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:22:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.407876299999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.494563369999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.248269890000000 Atomic positions (fractional): 1 Yb 0.94484661865170 0.25000000000000 0.98614279183039 173.054 2 Yb 0.44484661865170 0.25000000000000 0.51385720816961 173.054 3 Yb 0.55515338134830 0.75000000000000 0.48614279183039 173.054 4 Yb 0.05515338134830 0.75000000000000 0.01385720816961 173.054 5 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 6 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 7 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 8 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 9 O 0.52471531617437 0.25000000000000 0.08974841506257 15.999 10 O 0.79529491251116 0.54729582629992 0.20356705259038 15.999 11 O 0.79529491251116 0.95270417370008 0.20356705259038 15.999 12 O 0.29529491251116 0.95270417370008 0.29643294740962 15.999 13 O 0.29529491251116 0.54729582629992 0.29643294740962 15.999 14 O 0.02471531617437 0.25000000000000 0.41025158493744 15.999 15 O 0.97528468382563 0.75000000000000 0.58974841506257 15.999 16 O 0.70470508748884 0.45270417370008 0.70356705259038 15.999 17 O 0.70470508748884 0.04729582629992 0.70356705259038 15.999 18 O 0.20470508748884 0.04729582629992 0.79643294740962 15.999 19 O 0.20470508748884 0.45270417370008 0.79643294740962 15.999 20 O 0.47528468382563 0.75000000000000 0.91025158493743 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.815752599999998 0.000000000000000 0.000000000000000 b 0.000000000000000 7.494563369999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.496539780000001 Atomic positions (fractional): 1 Yb 0.47242330932585 0.25000000000000 0.49307139591519 173.054 > 1 2 Yb 0.97242330932585 0.25000000000000 0.49307139591519 173.054 > 1 3 Yb 0.47242330932585 0.25000000000000 0.99307139591519 173.054 > 1 4 Yb 0.97242330932585 0.25000000000000 0.99307139591519 173.054 > 1 5 Yb 0.22242330932585 0.25000000000000 0.25692860408481 173.054 > 5 6 Yb 0.72242330932585 0.25000000000000 0.25692860408481 173.054 > 5 7 Yb 0.22242330932585 0.25000000000000 0.75692860408481 173.054 > 5 8 Yb 0.72242330932585 0.25000000000000 0.75692860408481 173.054 > 5 9 Yb 0.27757669067415 0.75000000000000 0.24307139591519 173.054 > 9 10 Yb 0.77757669067415 0.75000000000000 0.24307139591519 173.054 > 9 11 Yb 0.27757669067415 0.75000000000000 0.74307139591519 173.054 > 9 12 Yb 0.77757669067415 0.75000000000000 0.74307139591519 173.054 > 9 13 Yb 0.02757669067415 0.75000000000000 0.00692860408481 173.054 > 13 14 Yb 0.52757669067415 0.75000000000000 0.00692860408481 173.054 > 13 15 Yb 0.02757669067415 0.75000000000000 0.50692860408481 173.054 > 13 16 Yb 0.52757669067415 0.75000000000000 0.50692860408481 173.054 > 13 17 Ti 0.25000000000000 0.50000000000000 0.00000000000000 47.867 > 17 18 Ti 0.75000000000000 0.50000000000000 0.00000000000000 47.867 > 17 19 Ti 0.25000000000000 0.50000000000000 0.50000000000000 47.867 > 17 20 Ti 0.75000000000000 0.50000000000000 0.50000000000000 47.867 > 17 21 Ti 0.25000000000000 0.00000000000000 0.00000000000000 47.867 > 21 22 Ti 0.75000000000000 0.00000000000000 0.00000000000000 47.867 > 21 23 Ti 0.25000000000000 0.00000000000000 0.50000000000000 47.867 > 21 24 Ti 0.75000000000000 0.00000000000000 0.50000000000000 47.867 > 21 25 Ti 0.00000000000000 0.50000000000000 0.25000000000000 47.867 > 25 26 Ti 0.50000000000000 0.50000000000000 0.25000000000000 47.867 > 25 27 Ti 0.00000000000000 0.50000000000000 0.75000000000000 47.867 > 25 28 Ti 0.50000000000000 0.50000000000000 0.75000000000000 47.867 > 25 29 Ti 0.00000000000000 0.00000000000000 0.25000000000000 47.867 > 29 30 Ti 0.50000000000000 0.00000000000000 0.25000000000000 47.867 > 29 31 Ti 0.00000000000000 0.00000000000000 0.75000000000000 47.867 > 29 32 Ti 0.50000000000000 0.00000000000000 0.75000000000000 47.867 > 29 33 O 0.26235765808718 0.25000000000000 0.04487420753128 15.999 > 33 34 O 0.76235765808718 0.25000000000000 0.04487420753128 15.999 > 33 35 O 0.26235765808718 0.25000000000000 0.54487420753128 15.999 > 33 36 O 0.76235765808718 0.25000000000000 0.54487420753128 15.999 > 33 37 O 0.39764745625558 0.54729582629992 0.10178352629519 15.999 > 37 38 O 0.89764745625558 0.54729582629992 0.10178352629519 15.999 > 37 39 O 0.39764745625558 0.54729582629992 0.60178352629519 15.999 > 37 40 O 0.89764745625558 0.54729582629992 0.60178352629519 15.999 > 37 41 O 0.39764745625558 0.95270417370008 0.10178352629519 15.999 > 41 42 O 0.89764745625558 0.95270417370008 0.10178352629519 15.999 > 41 43 O 0.39764745625558 0.95270417370008 0.60178352629519 15.999 > 41 44 O 0.89764745625558 0.95270417370008 0.60178352629519 15.999 > 41 45 O 0.14764745625558 0.95270417370008 0.14821647370481 15.999 > 45 46 O 0.64764745625558 0.95270417370008 0.14821647370481 15.999 > 45 47 O 0.14764745625558 0.95270417370008 0.64821647370481 15.999 > 45 48 O 0.64764745625558 0.95270417370008 0.64821647370481 15.999 > 45 49 O 0.14764745625558 0.54729582629992 0.14821647370481 15.999 > 49 50 O 0.64764745625558 0.54729582629992 0.14821647370481 15.999 > 49 51 O 0.14764745625558 0.54729582629992 0.64821647370481 15.999 > 49 52 O 0.64764745625558 0.54729582629992 0.64821647370481 15.999 > 49 53 O 0.01235765808718 0.25000000000000 0.20512579246872 15.999 > 53 54 O 0.51235765808718 0.25000000000000 0.20512579246872 15.999 > 53 55 O 0.01235765808718 0.25000000000000 0.70512579246872 15.999 > 53 56 O 0.51235765808718 0.25000000000000 0.70512579246872 15.999 > 53 57 O 0.48764234191282 0.75000000000000 0.29487420753128 15.999 > 57 58 O 0.98764234191282 0.75000000000000 0.29487420753128 15.999 > 57 59 O 0.48764234191282 0.75000000000000 0.79487420753128 15.999 > 57 60 O 0.98764234191282 0.75000000000000 0.79487420753128 15.999 > 57 61 O 0.35235254374442 0.45270417370008 0.35178352629519 15.999 > 61 62 O 0.85235254374442 0.45270417370008 0.35178352629519 15.999 > 61 63 O 0.35235254374442 0.45270417370008 0.85178352629519 15.999 > 61 64 O 0.85235254374442 0.45270417370008 0.85178352629519 15.999 > 61 65 O 0.35235254374442 0.04729582629992 0.35178352629519 15.999 > 65 66 O 0.85235254374442 0.04729582629992 0.35178352629519 15.999 > 65 67 O 0.35235254374442 0.04729582629992 0.85178352629519 15.999 > 65 68 O 0.85235254374442 0.04729582629992 0.85178352629519 15.999 > 65 69 O 0.10235254374442 0.04729582629992 0.39821647370481 15.999 > 69 70 O 0.60235254374442 0.04729582629992 0.39821647370481 15.999 > 69 71 O 0.10235254374442 0.04729582629992 0.89821647370481 15.999 > 69 72 O 0.60235254374442 0.04729582629992 0.89821647370481 15.999 > 69 73 O 0.10235254374442 0.45270417370008 0.39821647370481 15.999 > 73 74 O 0.60235254374442 0.45270417370008 0.39821647370481 15.999 > 73 75 O 0.10235254374442 0.45270417370008 0.89821647370481 15.999 > 73 76 O 0.60235254374442 0.45270417370008 0.89821647370481 15.999 > 73 77 O 0.23764234191282 0.75000000000000 0.45512579246872 15.999 > 77 78 O 0.73764234191282 0.75000000000000 0.45512579246872 15.999 > 77 79 O 0.23764234191282 0.75000000000000 0.95512579246872 15.999 > 77 80 O 0.73764234191282 0.75000000000000 0.95512579246872 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5399784 0.0000000 0.0000000 0.0000000 6.4033609 0.0000000 0.0000000 0.0000000 6.3616412 -------------------------- Born effective charges -------------------------- 1 Yb 2.4447985 0.0000000 -0.2062666 0.0000000 2.3676769 0.0000000 -0.1747830 0.0000000 2.4841805 2 Yb 2.4447985 0.0000000 0.2062666 0.0000000 2.3676769 0.0000000 0.1747830 0.0000000 2.4841805 3 Yb 2.4447985 0.0000000 0.2062666 0.0000000 2.3676769 0.0000000 0.1747830 0.0000000 2.4841805 4 Yb 2.4447985 0.0000000 -0.2062666 0.0000000 2.3676769 0.0000000 -0.1747830 0.0000000 2.4841805 5 Ti 7.0964837 -0.0880289 -0.5608100 -0.2617844 7.0368487 -0.8184764 0.7457683 1.0353360 6.8851691 6 Ti 7.0964837 0.0880289 -0.5608100 0.2617844 7.0368487 0.8184764 0.7457683 -1.0353360 6.8851691 7 Ti 7.0964837 -0.0880289 0.5608100 -0.2617844 7.0368487 0.8184764 -0.7457683 -1.0353360 6.8851691 8 Ti 7.0964837 0.0880289 0.5608100 0.2617844 7.0368487 -0.8184764 -0.7457683 1.0353360 6.8851691 9 O -1.8879600 0.0000000 0.2056765 0.0000000 -5.4544699 0.0000000 0.0069955 0.0000000 -2.1322952 10 O -3.8266611 -0.0848565 -1.7107587 -0.1254026 -1.9750279 -0.0079240 -1.6785717 -0.0089058 -3.6185272 11 O -3.8266611 0.0848565 -1.7107587 0.1254026 -1.9750279 0.0079240 -1.6785717 0.0089058 -3.6185272 12 O -3.8266611 0.0848565 1.7107587 0.1254026 -1.9750279 -0.0079240 1.6785717 -0.0089058 -3.6185272 13 O -3.8266611 -0.0848565 1.7107587 -0.1254026 -1.9750279 0.0079240 1.6785717 0.0089058 -3.6185272 14 O -1.8879600 0.0000000 -0.2056765 0.0000000 -5.4544699 0.0000000 -0.0069955 0.0000000 -2.1322952 15 O -1.8879600 0.0000000 -0.2056765 0.0000000 -5.4544699 0.0000000 -0.0069955 0.0000000 -2.1322952 16 O -3.8266611 -0.0848565 1.7107587 -0.1254026 -1.9750279 0.0079240 1.6785717 0.0089058 -3.6185272 17 O -3.8266611 0.0848565 1.7107587 0.1254026 -1.9750279 -0.0079240 1.6785717 -0.0089058 -3.6185272 18 O -3.8266611 0.0848565 -1.7107587 0.1254026 -1.9750279 0.0079240 -1.6785717 0.0089058 -3.6185272 19 O -3.8266611 -0.0848565 -1.7107587 -0.1254026 -1.9750279 -0.0079240 -1.6785717 -0.0089058 -3.6185272 20 O -1.8879600 0.0000000 0.2056765 0.0000000 -5.4544699 0.0000000 0.0069955 0.0000000 -2.1322952 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000017 (zxz) -0.00000017 (zxz) -0.00000017 (zzx) 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 ... [ 9 7 10 ] 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: 0.70, Number of G-points: 315, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.751 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.651 ( 0.000 0.000 0.000) 0.000 6.170 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.513 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 9.539 ( 0.000 0.000 0.000) 0.000 9.595 ( 0.000 0.000 0.000) 0.000 9.648 ( 0.000 0.000 0.000) 0.000 10.073 ( 0.000 0.000 0.000) 0.000 10.433 ( 0.000 0.000 0.000) 0.000 11.161 ( 0.000 0.000 0.000) 0.000 11.162 ( 0.000 0.000 0.000) 0.000 11.176 ( 0.000 0.000 0.000) 0.000 12.199 ( 0.000 0.000 0.000) 0.000 13.067 ( 0.000 0.000 0.000) 0.000 13.162 ( 0.000 0.000 0.000) 0.000 13.536 ( 0.000 0.000 0.000) 0.000 13.867 ( 0.000 0.000 0.000) 0.000 13.968 ( 0.000 0.000 0.000) 0.000 14.050 ( 0.000 0.000 0.000) 0.000 14.295 ( 0.000 0.000 0.000) 0.000 14.302 ( 0.000 0.000 0.000) 0.000 14.479 ( 0.000 0.000 0.000) 0.000 14.975 ( 0.000 0.000 0.000) 0.000 15.051 ( 0.000 0.000 0.000) 0.000 15.512 ( 0.000 0.000 0.000) 0.000 15.763 ( 0.000 0.000 0.000) 0.000 15.845 ( 0.000 0.000 0.000) 0.000 16.057 ( 0.000 0.000 0.000) 0.000 16.063 ( 0.000 0.000 0.000) 0.000 16.346 ( 0.000 0.000 0.000) 0.000 16.395 ( 0.000 0.000 0.000) 0.000 17.058 ( 0.000 0.000 0.000) 0.000 22.597 ( 0.000 0.000 0.000) 0.000 23.519 ( 0.000 0.000 0.000) 0.000 24.565 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 34.829 0.000 0.000) 34.829 0.786 ( 36.239 0.000 0.000) 36.239 1.257 ( 55.342 0.000 0.000) 55.342 2.468 ( 3.488 0.000 0.000) 3.488 2.736 ( -1.225 0.000 0.000) 1.225 2.754 ( -2.022 0.000 0.000) 2.022 2.790 ( -14.392 0.000 0.000) 14.392 2.928 ( -1.109 0.000 0.000) 1.109 2.999 ( -0.489 0.000 0.000) 0.489 3.114 ( -7.864 0.000 0.000) 7.864 3.305 ( 0.362 0.000 0.000) 0.362 3.638 ( -6.503 0.000 0.000) 6.503 4.082 ( 28.252 0.000 0.000) 28.252 4.150 ( 21.798 0.000 0.000) 21.798 4.462 ( 19.103 0.000 0.000) 19.103 4.547 ( 20.637 0.000 0.000) 20.637 4.554 ( 55.913 0.000 0.000) 55.913 5.193 ( 13.682 0.000 0.000) 13.682 5.350 ( 7.707 0.000 0.000) 7.707 5.873 ( 21.579 0.000 0.000) 21.579 6.266 ( 9.185 0.000 0.000) 9.185 6.513 ( 4.168 0.000 0.000) 4.168 6.729 ( 11.678 0.000 0.000) 11.678 7.101 ( 0.200 0.000 0.000) 0.200 8.237 ( 0.999 0.000 0.000) 0.999 8.410 ( 40.135 0.000 0.000) 40.135 8.532 ( 1.584 0.000 0.000) 1.584 8.985 ( 5.659 0.000 0.000) 5.659 9.203 ( 1.859 0.000 0.000) 1.859 9.460 ( -7.236 0.000 0.000) 7.236 9.508 ( -11.444 0.000 0.000) 11.444 9.910 ( -15.075 0.000 0.000) 15.075 10.457 ( 3.311 0.000 0.000) 3.311 11.127 ( -3.372 0.000 0.000) 3.372 11.134 ( -3.342 0.000 0.000) 3.342 11.231 ( 5.367 0.000 0.000) 5.367 12.231 ( 3.260 0.000 0.000) 3.260 12.922 ( -13.957 0.000 0.000) 13.957 12.971 ( -17.896 0.000 0.000) 17.896 13.431 ( -6.949 0.000 0.000) 6.949 13.862 ( -16.537 0.000 0.000) 16.537 13.862 ( -6.639 0.000 0.000) 6.639 13.991 ( -4.533 0.000 0.000) 4.533 14.176 ( 10.702 0.000 0.000) 10.702 14.207 ( 8.349 0.000 0.000) 8.349 14.367 ( -12.846 0.000 0.000) 12.846 14.487 ( 14.087 0.000 0.000) 14.087 15.028 ( 5.215 0.000 0.000) 5.215 15.230 ( 12.335 0.000 0.000) 12.335 15.486 ( -2.010 0.000 0.000) 2.010 15.838 ( -0.712 0.000 0.000) 0.712 16.036 ( -2.048 0.000 0.000) 2.048 16.095 ( 2.550 0.000 0.000) 2.550 16.338 ( -0.687 0.000 0.000) 0.687 16.392 ( -0.344 0.000 0.000) 0.344 16.975 ( -7.857 0.000 0.000) 7.857 22.673 ( 7.423 0.000 0.000) 7.423 23.032 ( 1.694 0.000 0.000) 1.694 23.506 ( -1.249 0.000 0.000) 1.249 24.575 ( 0.628 0.000 0.000) 0.628 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 26.821 0.000 0.000) 26.821 1.458 ( 28.717 0.000 0.000) 28.717 2.147 ( 28.963 0.000 0.000) 28.963 2.547 ( 3.643 0.000 0.000) 3.643 2.565 ( -7.658 0.000 0.000) 7.658 2.655 ( -5.207 0.000 0.000) 5.207 2.692 ( -3.892 0.000 0.000) 3.892 2.922 ( 0.826 0.000 0.000) 0.826 2.933 ( -9.736 0.000 0.000) 9.736 3.007 ( 0.524 0.000 0.000) 0.524 3.316 ( 0.638 0.000 0.000) 0.638 3.484 ( -8.174 0.000 0.000) 8.174 4.321 ( 2.307 0.000 0.000) 2.307 4.459 ( 8.564 0.000 0.000) 8.564 5.028 ( 34.616 0.000 0.000) 34.616 5.442 ( 54.448 0.000 0.000) 54.448 5.575 ( 22.850 0.000 0.000) 22.850 5.643 ( 21.772 0.000 0.000) 21.772 5.936 ( 70.905 0.000 0.000) 70.905 6.399 ( 23.005 0.000 0.000) 23.005 6.538 ( 17.545 0.000 0.000) 17.545 6.641 ( 8.047 0.000 0.000) 8.047 7.144 ( 5.477 0.000 0.000) 5.477 7.171 ( 33.736 0.000 0.000) 33.736 8.196 ( -6.136 0.000 0.000) 6.136 8.568 ( 2.073 0.000 0.000) 2.073 9.067 ( -3.956 0.000 0.000) 3.956 9.254 ( -8.648 0.000 0.000) 8.648 9.274 ( -9.842 0.000 0.000) 9.842 9.297 ( 4.588 0.000 0.000) 4.588 9.471 ( 57.347 0.000 0.000) 57.347 9.559 ( -12.298 0.000 0.000) 12.298 10.520 ( 3.138 0.000 0.000) 3.138 10.999 ( -10.192 0.000 0.000) 10.192 11.020 ( -7.065 0.000 0.000) 7.065 11.379 ( 8.133 0.000 0.000) 8.133 12.329 ( 5.263 0.000 0.000) 5.263 12.481 ( -28.476 0.000 0.000) 28.476 12.519 ( -23.806 0.000 0.000) 23.806 13.273 ( -15.348 0.000 0.000) 15.348 13.362 ( -18.574 0.000 0.000) 18.574 13.708 ( -9.460 0.000 0.000) 9.460 13.833 ( -13.020 0.000 0.000) 13.020 14.008 ( -19.242 0.000 0.000) 19.242 14.467 ( 16.763 0.000 0.000) 16.763 14.563 ( 21.391 0.000 0.000) 21.391 14.796 ( 15.513 0.000 0.000) 15.513 15.186 ( 9.873 0.000 0.000) 9.873 15.440 ( 7.090 0.000 0.000) 7.090 15.454 ( -0.701 0.000 0.000) 0.701 15.814 ( -1.682 0.000 0.000) 1.682 15.972 ( -4.297 0.000 0.000) 4.297 16.137 ( 0.945 0.000 0.000) 0.945 16.323 ( -0.555 0.000 0.000) 0.555 16.376 ( -1.420 0.000 0.000) 1.420 16.750 ( -13.526 0.000 0.000) 13.526 22.907 ( 15.368 0.000 0.000) 15.368 23.082 ( 3.157 0.000 0.000) 3.157 23.469 ( -2.373 0.000 0.000) 2.373 24.567 ( -2.178 0.000 0.000) 2.178 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 19.189 0.000 0.000) 19.189 1.957 ( 19.851 0.000 0.000) 19.851 2.470 ( -1.597 0.000 0.000) 1.597 2.481 ( 7.198 0.000 0.000) 7.198 2.574 ( -1.983 0.000 0.000) 1.983 2.595 ( 0.495 0.000 0.000) 0.495 2.598 ( -5.200 0.000 0.000) 5.200 2.723 ( -10.266 0.000 0.000) 10.266 2.930 ( -1.444 0.000 0.000) 1.444 2.993 ( -2.568 0.000 0.000) 2.568 3.323 ( -0.293 0.000 0.000) 0.293 3.333 ( -5.490 0.000 0.000) 5.490 4.361 ( 2.155 0.000 0.000) 2.155 4.526 ( -0.395 0.000 0.000) 0.395 5.817 ( 41.134 0.000 0.000) 41.134 6.067 ( 23.588 0.000 0.000) 23.588 6.201 ( 28.747 0.000 0.000) 28.747 6.389 ( 29.607 0.000 0.000) 29.607 6.720 ( 9.561 0.000 0.000) 9.561 6.835 ( 11.077 0.000 0.000) 11.077 6.984 ( 19.755 0.000 0.000) 19.755 7.089 ( 37.880 0.000 0.000) 37.880 7.543 ( 34.365 0.000 0.000) 34.365 7.995 ( -11.894 0.000 0.000) 11.894 8.030 ( 44.518 0.000 0.000) 44.518 8.664 ( -26.337 0.000 0.000) 26.337 8.685 ( 12.758 0.000 0.000) 12.758 9.048 ( -9.306 0.000 0.000) 9.306 9.123 ( -0.544 0.000 0.000) 0.544 9.516 ( 14.298 0.000 0.000) 14.298 9.597 ( 9.377 0.000 0.000) 9.377 10.400 ( 15.603 0.000 0.000) 15.603 10.591 ( 2.758 0.000 0.000) 2.758 10.714 ( -17.342 0.000 0.000) 17.342 10.906 ( 4.060 0.000 0.000) 4.060 11.514 ( 3.673 0.000 0.000) 3.673 11.851 ( -31.478 0.000 0.000) 31.478 12.094 ( -9.788 0.000 0.000) 9.788 12.296 ( -14.433 0.000 0.000) 14.433 12.878 ( -7.778 0.000 0.000) 7.778 13.235 ( -2.310 0.000 0.000) 2.310 13.378 ( -25.803 0.000 0.000) 25.803 13.438 ( -17.357 0.000 0.000) 17.357 13.720 ( -11.539 0.000 0.000) 11.539 14.828 ( 17.518 0.000 0.000) 17.518 15.026 ( 23.013 0.000 0.000) 23.013 15.113 ( 15.091 0.000 0.000) 15.091 15.411 ( 11.009 0.000 0.000) 11.009 15.466 ( 1.853 0.000 0.000) 1.853 15.505 ( -0.756 0.000 0.000) 0.756 15.770 ( -2.651 0.000 0.000) 2.651 15.861 ( -5.993 0.000 0.000) 5.993 16.115 ( -3.318 0.000 0.000) 3.318 16.294 ( -9.617 0.000 0.000) 9.617 16.321 ( 0.373 0.000 0.000) 0.373 16.473 ( -10.059 0.000 0.000) 10.059 23.158 ( 4.108 0.000 0.000) 4.108 23.294 ( 21.705 0.000 0.000) 21.705 23.410 ( -3.323 0.000 0.000) 3.323 24.457 ( -9.096 0.000 0.000) 9.096 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 14.052 0.000 0.000) 14.052 2.283 ( 12.360 0.000 0.000) 12.360 2.445 ( -8.929 0.000 0.000) 8.929 2.495 ( 3.536 0.000 0.000) 3.536 2.501 ( -9.624 0.000 0.000) 9.624 2.576 ( 1.523 0.000 0.000) 1.523 2.578 ( -3.704 0.000 0.000) 3.704 2.581 ( 2.007 0.000 0.000) 2.007 2.872 ( -2.220 0.000 0.000) 2.220 2.905 ( -4.723 0.000 0.000) 4.723 3.280 ( -0.079 0.000 0.000) 0.079 3.301 ( -1.516 0.000 0.000) 1.516 4.416 ( 3.182 0.000 0.000) 3.182 4.484 ( -3.123 0.000 0.000) 3.123 6.475 ( 14.367 0.000 0.000) 14.367 6.588 ( 5.359 0.000 0.000) 5.359 6.671 ( 38.743 0.000 0.000) 38.743 6.737 ( 8.740 0.000 0.000) 8.740 6.831 ( 3.523 0.000 0.000) 3.523 7.117 ( 13.733 0.000 0.000) 13.733 7.193 ( 5.175 0.000 0.000) 5.175 7.422 ( -21.934 0.000 0.000) 21.934 7.794 ( -4.822 0.000 0.000) 4.822 7.836 ( -3.053 0.000 0.000) 3.053 8.583 ( 26.064 0.000 0.000) 26.064 8.774 ( 20.196 0.000 0.000) 20.196 8.835 ( 0.378 0.000 0.000) 0.378 8.888 ( -5.581 0.000 0.000) 5.581 9.691 ( 47.509 0.000 0.000) 47.509 9.766 ( 6.385 0.000 0.000) 6.385 9.869 ( 19.767 0.000 0.000) 19.767 10.080 ( -27.023 0.000 0.000) 27.023 10.306 ( -21.510 0.000 0.000) 21.510 10.471 ( -20.956 0.000 0.000) 20.956 11.040 ( 3.161 0.000 0.000) 3.161 11.272 ( -21.792 0.000 0.000) 21.792 11.561 ( 5.540 0.000 0.000) 5.540 11.857 ( -21.576 0.000 0.000) 21.576 12.371 ( 29.791 0.000 0.000) 29.791 12.874 ( 1.950 0.000 0.000) 1.950 12.975 ( -11.015 0.000 0.000) 11.015 12.984 ( -26.836 0.000 0.000) 26.836 13.275 ( 6.866 0.000 0.000) 6.866 13.479 ( -11.646 0.000 0.000) 11.646 15.159 ( 14.162 0.000 0.000) 14.162 15.380 ( -4.294 0.000 0.000) 4.294 15.406 ( 13.183 0.000 0.000) 13.183 15.522 ( 3.258 0.000 0.000) 3.258 15.527 ( 18.504 0.000 0.000) 18.504 15.557 ( 1.192 0.000 0.000) 1.192 15.650 ( -9.594 0.000 0.000) 9.594 15.838 ( 5.854 0.000 0.000) 5.854 15.956 ( -20.185 0.000 0.000) 20.185 16.000 ( -7.669 0.000 0.000) 7.669 16.338 ( 1.318 0.000 0.000) 1.318 16.375 ( -2.322 0.000 0.000) 2.322 23.246 ( 4.380 0.000 0.000) 4.380 23.334 ( -4.046 0.000 0.000) 4.046 23.761 ( 22.716 0.000 0.000) 22.716 24.183 ( -17.443 0.000 0.000) 17.443 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.000 33.123 0.000) 33.123 0.724 ( 0.000 36.409 0.000) 36.409 1.264 ( 0.000 59.142 0.000) 59.142 2.413 ( 0.000 -2.044 0.000) 2.044 2.698 ( 0.000 -1.575 0.000) 1.575 2.767 ( 0.000 4.719 0.000) 4.719 2.789 ( 0.000 -11.049 0.000) 11.049 2.937 ( 0.000 -5.974 0.000) 5.974 3.200 ( 0.000 -2.341 0.000) 2.341 3.204 ( 0.000 -3.380 0.000) 3.380 3.476 ( 0.000 16.537 0.000) 16.537 3.565 ( 0.000 -4.435 0.000) 4.435 3.677 ( 0.000 -5.758 0.000) 5.758 3.892 ( 0.000 6.640 0.000) 6.640 3.951 ( 0.000 5.529 0.000) 5.529 4.325 ( 0.000 5.311 0.000) 5.311 5.011 ( 0.000 8.078 0.000) 8.078 5.022 ( 0.000 52.721 0.000) 52.721 5.084 ( 0.000 4.054 0.000) 4.054 5.524 ( 0.000 3.226 0.000) 3.226 6.249 ( 0.000 12.481 0.000) 12.481 6.482 ( 0.000 1.005 0.000) 1.005 6.598 ( 0.000 -1.830 0.000) 1.830 7.149 ( 0.000 4.980 0.000) 4.980 7.848 ( 0.000 -0.208 0.000) 0.208 8.440 ( 0.000 -7.833 0.000) 7.833 8.452 ( 0.000 1.134 0.000) 1.134 9.034 ( 0.000 11.356 0.000) 11.356 9.450 ( 0.000 -6.993 0.000) 6.993 9.452 ( 0.000 -13.352 0.000) 13.352 9.587 ( 0.000 -6.160 0.000) 6.160 10.144 ( 0.000 5.208 0.000) 5.208 10.451 ( 0.000 1.901 0.000) 1.901 11.050 ( 0.000 -10.971 0.000) 10.971 11.107 ( 0.000 -6.782 0.000) 6.782 11.279 ( 0.000 11.152 0.000) 11.152 12.087 ( 0.000 2.682 0.000) 2.682 12.172 ( 0.000 -3.404 0.000) 3.404 13.086 ( 0.000 -7.337 0.000) 7.337 13.299 ( 0.000 -23.798 0.000) 23.798 13.919 ( 0.000 4.858 0.000) 4.858 13.926 ( 0.000 -7.607 0.000) 7.607 14.019 ( 0.000 4.819 0.000) 4.819 14.292 ( 0.000 -0.652 0.000) 0.652 14.428 ( 0.000 12.779 0.000) 12.779 14.442 ( 0.000 -3.935 0.000) 3.935 14.541 ( 0.000 15.791 0.000) 15.791 15.017 ( 0.000 -2.981 0.000) 2.981 15.072 ( 0.000 5.008 0.000) 5.008 15.563 ( 0.000 5.112 0.000) 5.112 15.706 ( 0.000 -4.637 0.000) 4.637 15.899 ( 0.000 4.260 0.000) 4.260 16.029 ( 0.000 -3.732 0.000) 3.732 16.311 ( 0.000 -3.623 0.000) 3.623 16.372 ( 0.000 -2.387 0.000) 2.387 16.888 ( 0.000 -17.148 0.000) 17.148 22.664 ( 0.000 6.675 0.000) 6.675 23.396 ( 0.000 -2.581 0.000) 2.581 23.549 ( 0.000 3.233 0.000) 3.233 24.494 ( 0.000 -7.282 0.000) 7.282 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 24.388 19.530 0.000) 31.244 1.047 ( 23.687 22.513 0.000) 32.678 1.717 ( 34.836 36.226 0.000) 50.258 2.433 ( 1.892 -3.380 0.000) 3.874 2.677 ( -3.849 -4.832 0.000) 6.178 2.740 ( -2.481 -4.312 0.000) 4.975 2.771 ( -2.051 3.227 0.000) 3.824 2.923 ( -1.116 -4.772 0.000) 4.901 3.002 ( -6.839 3.331 0.000) 7.607 3.112 ( -6.282 -1.197 0.000) 6.395 3.172 ( -6.694 -4.166 0.000) 7.885 3.586 ( -6.029 -4.740 0.000) 7.670 4.280 ( 32.761 11.510 0.000) 34.724 4.328 ( 38.291 7.892 0.000) 39.096 4.577 ( 52.596 3.530 0.000) 52.714 4.617 ( 23.760 12.743 0.000) 26.962 5.044 ( 5.372 43.645 0.000) 43.975 5.250 ( 14.302 11.227 0.000) 18.182 5.365 ( 15.331 1.892 0.000) 15.447 5.743 ( 22.368 -3.806 0.000) 22.689 6.342 ( 8.934 11.589 0.000) 14.633 6.647 ( 9.766 6.185 0.000) 11.560 6.713 ( 12.756 -1.085 0.000) 12.803 7.149 ( 0.259 5.140 0.000) 5.147 8.105 ( 11.521 -6.886 0.000) 13.423 8.421 ( -1.687 -10.379 0.000) 10.515 8.527 ( 22.892 5.324 0.000) 23.503 9.121 ( 7.657 12.139 0.000) 14.352 9.292 ( -4.266 0.802 0.000) 4.340 9.381 ( -6.254 -5.285 0.000) 8.188 9.494 ( -8.452 -1.213 0.000) 8.538 10.000 ( -13.242 6.869 0.000) 14.918 10.478 ( 2.694 2.237 0.000) 3.502 11.041 ( -1.645 -9.195 0.000) 9.341 11.126 ( 0.261 -4.683 0.000) 4.690 11.248 ( 0.493 7.092 0.000) 7.109 12.184 ( 1.518 -5.140 0.000) 5.359 12.482 ( 10.281 -24.062 0.000) 26.166 12.924 ( -15.411 -5.081 0.000) 16.227 13.240 ( -5.447 -19.403 0.000) 20.153 13.815 ( -11.987 -2.042 0.000) 12.160 13.938 ( -14.711 1.796 0.000) 14.820 13.956 ( 0.118 -6.782 0.000) 6.783 14.201 ( 8.031 3.230 0.000) 8.656 14.322 ( -10.690 -2.983 0.000) 11.098 14.427 ( -4.557 19.255 0.000) 19.787 14.608 ( 13.131 11.616 0.000) 17.532 15.094 ( 4.044 5.918 0.000) 7.167 15.188 ( 11.751 -3.869 0.000) 12.372 15.541 ( -1.643 5.342 0.000) 5.589 15.796 ( 2.290 -6.530 0.000) 6.919 15.946 ( 2.884 -0.659 0.000) 2.959 16.061 ( 2.612 -3.655 0.000) 4.492 16.304 ( -0.623 -3.547 0.000) 3.602 16.372 ( -0.377 -2.571 0.000) 2.598 16.814 ( -6.962 -16.184 0.000) 17.618 22.723 ( 5.958 5.207 0.000) 7.912 23.153 ( -9.875 5.790 0.000) 11.447 23.538 ( -1.089 3.423 0.000) 3.592 24.504 ( 0.624 -7.305 0.000) 7.331 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 22.681 8.397 0.000) 24.186 1.540 ( 22.750 8.900 0.000) 24.428 2.305 ( 16.218 9.254 0.000) 18.673 2.470 ( 1.023 -6.489 0.000) 6.570 2.597 ( -1.704 4.769 0.000) 5.065 2.691 ( -3.955 2.754 0.000) 4.819 2.692 ( -2.521 -0.220 0.000) 2.530 2.848 ( -7.118 -5.150 0.000) 8.786 2.925 ( -1.319 -0.064 0.000) 1.321 3.004 ( -3.599 -0.572 0.000) 3.645 3.133 ( 0.743 -10.709 0.000) 10.735 3.445 ( -7.458 -3.815 0.000) 8.377 4.755 ( 15.330 23.236 0.000) 27.837 4.916 ( 8.050 46.712 0.000) 47.400 5.226 ( 32.926 17.261 0.000) 37.176 5.504 ( 48.334 7.378 0.000) 48.894 5.629 ( 24.929 7.053 0.000) 25.908 5.716 ( 22.385 8.039 0.000) 23.785 5.953 ( 67.591 2.505 0.000) 67.638 6.281 ( 24.784 -7.690 0.000) 25.950 6.613 ( 18.118 10.465 0.000) 20.923 6.839 ( 9.562 14.511 0.000) 17.378 7.147 ( 31.326 -1.507 0.000) 31.362 7.185 ( 4.555 4.443 0.000) 6.363 8.115 ( -5.379 -7.390 0.000) 9.141 8.374 ( -2.988 -15.351 0.000) 15.639 9.178 ( -1.827 -7.188 0.000) 7.417 9.204 ( -8.302 -4.880 0.000) 9.630 9.293 ( 2.631 18.686 0.000) 18.870 9.377 ( 8.788 7.418 0.000) 11.500 9.522 ( 45.105 4.140 0.000) 45.294 9.682 ( -12.580 9.829 0.000) 15.964 10.538 ( 3.136 1.921 0.000) 3.678 10.944 ( -8.462 -5.548 0.000) 10.119 11.049 ( -7.038 1.922 0.000) 7.296 11.346 ( 7.413 -1.962 0.000) 7.669 12.233 ( 1.333 -9.357 0.000) 9.451 12.382 ( -15.449 -12.078 0.000) 19.610 12.486 ( -24.478 -0.334 0.000) 24.480 13.116 ( -6.848 -16.036 0.000) 17.437 13.330 ( -26.783 -1.505 0.000) 26.825 13.740 ( -9.183 -0.612 0.000) 9.203 13.830 ( -13.104 -2.065 0.000) 13.266 13.968 ( -20.561 -3.873 0.000) 20.922 14.503 ( 18.563 -2.865 0.000) 18.783 14.539 ( 12.611 8.422 0.000) 15.164 14.900 ( 14.737 9.718 0.000) 17.653 15.236 ( 9.212 4.859 0.000) 10.415 15.383 ( 6.165 -4.362 0.000) 7.552 15.522 ( 0.234 5.515 0.000) 5.520 15.803 ( -0.942 -2.261 0.000) 2.450 15.955 ( -1.884 -0.022 0.000) 1.885 16.107 ( 1.243 -3.304 0.000) 3.530 16.291 ( -0.481 -3.385 0.000) 3.419 16.343 ( -2.870 -4.267 0.000) 5.143 16.619 ( -11.298 -12.571 0.000) 16.902 22.920 ( 13.193 1.483 0.000) 13.276 23.083 ( 1.491 0.084 0.000) 1.493 23.504 ( -2.284 3.739 0.000) 4.381 24.496 ( -2.064 -7.229 0.000) 7.518 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 16.410 1.879 0.000) 16.517 1.949 ( 16.739 0.667 0.000) 16.752 2.409 ( -0.377 -2.631 0.000) 2.658 2.472 ( 0.033 -7.896 0.000) 7.896 2.597 ( -0.311 2.565 0.000) 2.584 2.647 ( -2.215 2.233 0.000) 3.146 2.648 ( -1.565 7.096 0.000) 7.267 2.667 ( -7.997 -3.696 0.000) 8.810 2.891 ( -3.813 -4.999 0.000) 6.287 2.931 ( -4.322 -2.796 0.000) 5.148 3.154 ( 0.954 -9.844 0.000) 9.890 3.300 ( -6.098 -3.005 0.000) 6.798 4.958 ( 5.454 36.199 0.000) 36.607 4.992 ( 1.931 52.766 0.000) 52.801 5.951 ( 36.350 11.850 0.000) 38.233 6.089 ( 22.312 2.247 0.000) 22.425 6.269 ( 27.865 7.261 0.000) 28.796 6.453 ( 30.145 7.999 0.000) 31.189 6.655 ( 12.852 -4.264 0.000) 13.541 6.949 ( 21.982 -1.422 0.000) 22.028 7.048 ( 11.312 19.830 0.000) 22.830 7.202 ( 34.489 10.346 0.000) 36.007 7.545 ( 33.359 0.464 0.000) 33.362 7.899 ( 9.913 -8.337 0.000) 12.952 8.006 ( 23.278 -3.376 0.000) 23.522 8.334 ( 2.375 -16.097 0.000) 16.271 9.039 ( -7.016 -1.325 0.000) 7.140 9.042 ( -3.651 7.182 0.000) 8.056 9.093 ( -12.757 10.178 0.000) 16.320 9.574 ( 12.642 6.344 0.000) 14.144 9.732 ( 11.184 12.209 0.000) 16.557 10.393 ( 15.182 -0.690 0.000) 15.197 10.592 ( 0.179 0.068 0.000) 0.191 10.685 ( -16.517 -2.921 0.000) 16.774 10.944 ( 5.928 3.362 0.000) 6.815 11.484 ( 4.637 -2.643 0.000) 5.337 11.845 ( -29.311 -0.595 0.000) 29.317 12.069 ( -6.883 -2.667 0.000) 7.382 12.262 ( -10.994 -4.576 0.000) 11.909 12.814 ( -12.026 -5.573 0.000) 13.254 13.071 ( -2.774 -13.485 0.000) 13.767 13.359 ( -26.913 -2.016 0.000) 26.988 13.482 ( -16.198 -0.024 0.000) 16.198 13.653 ( -12.854 -6.672 0.000) 14.483 14.841 ( 15.435 1.844 0.000) 15.545 14.915 ( 20.874 -8.217 0.000) 22.433 15.199 ( 13.809 6.775 0.000) 15.381 15.447 ( 10.342 3.498 0.000) 10.918 15.449 ( 1.102 -2.793 0.000) 3.003 15.538 ( 0.859 4.871 0.000) 4.946 15.763 ( -3.088 -1.196 0.000) 3.312 15.884 ( -4.303 2.584 0.000) 5.019 16.095 ( -2.611 -2.315 0.000) 3.489 16.198 ( -12.713 -10.474 0.000) 16.472 16.289 ( 0.430 -3.249 0.000) 3.277 16.423 ( -5.856 -4.089 0.000) 7.142 23.135 ( 5.352 -1.795 0.000) 5.645 23.288 ( 19.578 -0.811 0.000) 19.594 23.443 ( -3.615 3.579 0.000) 5.087 24.391 ( -8.719 -6.747 0.000) 11.024 ======================= Grid point 13 (10/120) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 10.615 -4.164 0.000) 11.403 2.214 ( 8.094 -5.248 0.000) 9.646 2.389 ( -1.325 -2.981 0.000) 3.262 2.462 ( -6.600 -3.682 0.000) 7.558 2.516 ( 1.275 -3.973 0.000) 4.172 2.559 ( -2.184 2.617 0.000) 3.408 2.639 ( -0.766 3.746 0.000) 3.824 2.643 ( -0.202 4.846 0.000) 4.850 2.793 ( -2.875 -7.709 0.000) 8.228 2.829 ( -4.786 -4.853 0.000) 6.816 3.172 ( 1.008 -6.983 0.000) 7.056 3.208 ( -2.851 -4.129 0.000) 5.017 5.018 ( 1.077 44.742 0.000) 44.755 5.019 ( 0.757 50.507 0.000) 50.513 6.467 ( 12.978 -0.767 0.000) 13.001 6.551 ( 9.503 -1.626 0.000) 9.641 6.728 ( 25.358 2.873 0.000) 25.520 6.803 ( 8.536 7.579 0.000) 11.415 6.853 ( 4.484 4.335 0.000) 6.237 7.108 ( -4.016 -4.889 0.000) 6.327 7.355 ( 16.653 23.413 0.000) 28.731 7.550 ( -5.673 9.100 0.000) 10.723 7.775 ( -1.571 -1.642 0.000) 2.273 7.933 ( -3.390 10.711 0.000) 11.235 8.574 ( 27.047 -0.405 0.000) 27.050 8.706 ( 21.266 -6.179 0.000) 22.145 8.893 ( -5.328 4.940 0.000) 7.265 8.931 ( -3.729 3.278 0.000) 4.965 9.489 ( 35.305 -10.211 0.000) 36.752 9.880 ( 16.097 1.451 0.000) 16.163 9.972 ( 13.898 11.092 0.000) 17.781 10.069 ( -27.297 -0.800 0.000) 27.308 10.291 ( -20.451 -1.359 0.000) 20.496 10.429 ( -19.313 -3.660 0.000) 19.657 11.154 ( 5.160 10.900 0.000) 12.060 11.328 ( -17.398 6.121 0.000) 18.443 11.553 ( 6.555 -1.399 0.000) 6.702 11.864 ( -21.386 0.030 0.000) 21.386 12.345 ( 27.477 -2.791 0.000) 27.618 12.731 ( -3.510 -11.558 0.000) 12.079 12.930 ( -11.565 -4.428 0.000) 12.384 12.992 ( -14.483 -2.224 0.000) 14.653 13.198 ( 0.910 -8.040 0.000) 8.091 13.389 ( -12.488 -9.185 0.000) 15.502 15.137 ( 12.670 -2.026 0.000) 12.831 15.312 ( 7.245 -8.071 0.000) 10.846 15.356 ( 6.459 -5.225 0.000) 8.308 15.538 ( 11.532 3.292 0.000) 11.993 15.575 ( 3.424 5.599 0.000) 6.563 15.590 ( 1.499 2.712 0.000) 3.099 15.639 ( -9.649 -2.568 0.000) 9.985 15.835 ( -6.440 -0.590 0.000) 6.467 15.898 ( -6.727 -3.423 0.000) 7.547 16.000 ( -6.416 -0.517 0.000) 6.436 16.309 ( 1.443 -3.064 0.000) 3.386 16.348 ( -2.435 -2.706 0.000) 3.640 23.247 ( 5.542 0.341 0.000) 5.553 23.356 ( -4.875 2.429 0.000) 5.446 23.726 ( 21.593 -3.706 0.000) 21.909 24.128 ( -16.721 -5.608 0.000) 17.637 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 0.000 27.638 0.000) 27.638 1.366 ( 0.000 30.589 0.000) 30.589 2.117 ( 0.000 27.486 0.000) 27.486 2.317 ( 0.000 -8.738 0.000) 8.738 2.587 ( 0.000 -9.846 0.000) 9.846 2.651 ( 0.000 -3.329 0.000) 3.329 2.857 ( 0.000 -1.585 0.000) 1.585 2.881 ( 0.000 6.268 0.000) 6.268 3.149 ( 0.000 -2.079 0.000) 2.079 3.158 ( 0.000 0.640 0.000) 0.640 3.470 ( 0.000 -5.172 0.000) 5.172 3.540 ( 0.000 -8.481 0.000) 8.481 3.844 ( 0.000 20.732 0.000) 20.732 4.007 ( 0.000 5.459 0.000) 5.459 4.064 ( 0.000 5.267 0.000) 5.267 4.412 ( 0.000 2.464 0.000) 2.464 5.213 ( 0.000 9.515 0.000) 9.515 5.236 ( 0.000 15.200 0.000) 15.200 5.617 ( 0.000 6.049 0.000) 6.049 5.683 ( 0.000 8.457 0.000) 8.457 6.498 ( 0.000 0.278 0.000) 0.278 6.545 ( 0.000 -3.587 0.000) 3.587 7.067 ( 0.000 72.540 0.000) 72.540 7.301 ( 0.000 12.119 0.000) 12.119 7.865 ( 0.000 2.896 0.000) 2.896 8.213 ( 0.000 -15.611 0.000) 15.611 8.443 ( 0.000 -3.890 0.000) 3.890 9.181 ( 0.000 -11.889 0.000) 11.889 9.331 ( 0.000 19.242 0.000) 19.242 9.335 ( 0.000 -5.038 0.000) 5.038 9.429 ( 0.000 -9.947 0.000) 9.947 10.205 ( 0.000 0.418 0.000) 0.418 10.506 ( 0.000 4.006 0.000) 4.006 10.797 ( 0.000 -13.699 0.000) 13.699 10.942 ( 0.000 -9.864 0.000) 9.864 11.536 ( 0.000 14.776 0.000) 14.776 11.971 ( 0.000 -24.470 0.000) 24.470 12.116 ( 0.000 -0.888 0.000) 0.888 12.767 ( 0.000 -23.509 0.000) 23.509 12.913 ( 0.000 -10.094 0.000) 10.094 13.851 ( 0.000 0.622 0.000) 0.622 14.024 ( 0.000 5.587 0.000) 5.587 14.127 ( 0.000 5.280 0.000) 5.280 14.297 ( 0.000 2.136 0.000) 2.136 14.329 ( 0.000 -7.842 0.000) 7.842 14.659 ( 0.000 5.235 0.000) 5.235 14.877 ( 0.000 19.012 0.000) 19.012 15.020 ( 0.000 8.343 0.000) 8.343 15.206 ( 0.000 9.057 0.000) 9.057 15.600 ( 0.000 -6.530 0.000) 6.530 15.695 ( 0.000 8.392 0.000) 8.392 15.911 ( 0.000 -8.910 0.000) 8.910 15.991 ( 0.000 5.303 0.000) 5.303 16.209 ( 0.000 -6.991 0.000) 6.991 16.306 ( 0.000 -4.353 0.000) 4.353 16.449 ( 0.000 -27.404 0.000) 27.404 22.830 ( 0.000 10.013 0.000) 10.013 23.322 ( 0.000 -5.264 0.000) 5.264 23.646 ( 0.000 7.041 0.000) 7.041 24.303 ( 0.000 -12.181 0.000) 12.181 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 13.155 22.496 0.000) 26.059 1.512 ( 11.959 24.400 0.000) 27.173 2.248 ( 9.364 14.258 0.000) 17.058 2.333 ( 1.070 -7.712 0.000) 7.786 2.596 ( 2.274 -4.890 0.000) 5.393 2.656 ( 0.214 -3.015 0.000) 3.023 2.800 ( -3.917 -0.784 0.000) 3.995 2.894 ( -2.207 1.247 0.000) 2.535 3.042 ( -5.267 3.683 0.000) 6.427 3.088 ( -4.070 0.250 0.000) 4.077 3.183 ( -12.152 2.182 0.000) 12.346 3.471 ( -5.186 -7.096 0.000) 8.789 4.447 ( 40.233 5.678 0.000) 40.631 4.536 ( 41.564 15.297 0.000) 44.289 4.634 ( 49.493 1.474 0.000) 49.515 4.806 ( 31.706 6.118 0.000) 32.291 5.337 ( 11.750 10.028 0.000) 15.448 5.457 ( 17.251 9.038 0.000) 19.475 5.777 ( 9.041 10.234 0.000) 13.655 5.795 ( 15.761 7.054 0.000) 17.268 6.636 ( 9.169 -3.907 0.000) 9.966 6.735 ( 20.947 -0.216 0.000) 20.948 7.105 ( 3.779 69.854 0.000) 69.956 7.300 ( 0.005 11.316 0.000) 11.316 8.030 ( 7.175 0.085 0.000) 7.176 8.168 ( -3.889 -15.508 0.000) 15.988 8.564 ( 19.712 -2.594 0.000) 19.882 9.209 ( 2.795 -5.479 0.000) 6.151 9.237 ( -4.829 -3.041 0.000) 5.707 9.429 ( 1.590 -5.842 0.000) 6.054 9.479 ( 9.288 17.862 0.000) 20.133 10.106 ( -9.066 3.832 0.000) 9.843 10.539 ( 2.545 4.072 0.000) 4.802 10.819 ( 1.206 -12.897 0.000) 12.953 10.972 ( 2.585 -9.808 0.000) 10.143 11.479 ( -4.310 14.835 0.000) 15.448 11.961 ( -0.795 -23.812 0.000) 23.825 12.184 ( 2.995 -10.206 0.000) 10.637 12.732 ( -3.915 -19.026 0.000) 19.425 12.826 ( -8.593 -12.615 0.000) 15.264 13.796 ( -15.157 0.375 0.000) 15.162 13.858 ( -0.625 -1.878 0.000) 1.979 13.914 ( -20.850 -2.469 0.000) 20.996 14.217 ( -11.109 -7.332 0.000) 13.310 14.365 ( 8.704 11.600 0.000) 14.503 14.815 ( -4.469 20.902 0.000) 21.374 14.847 ( 12.294 8.271 0.000) 14.818 15.137 ( 9.075 2.829 0.000) 9.506 15.235 ( 3.495 8.682 0.000) 9.359 15.651 ( 3.701 -7.884 0.000) 8.709 15.673 ( -1.474 7.972 0.000) 8.107 15.949 ( 3.022 -8.107 0.000) 8.652 16.002 ( 0.701 4.738 0.000) 4.790 16.204 ( -0.428 -6.842 0.000) 6.855 16.273 ( -3.907 -10.847 0.000) 11.529 16.423 ( -1.793 -20.039 0.000) 20.119 22.853 ( 2.696 7.878 0.000) 8.326 23.189 ( -9.089 -1.290 0.000) 9.180 23.640 ( -0.663 7.358 0.000) 7.388 24.312 ( 0.558 -12.281 0.000) 12.294 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 14.423 13.290 0.000) 19.613 1.776 ( 12.705 14.721 0.000) 19.445 2.339 ( -0.812 -7.192 0.000) 7.237 2.364 ( 1.967 -1.026 0.000) 2.218 2.636 ( -1.961 -3.021 0.000) 3.602 2.674 ( 2.206 -3.329 0.000) 3.994 2.711 ( -3.922 -1.130 0.000) 4.082 2.777 ( -8.051 -2.775 0.000) 8.516 2.958 ( -4.752 5.157 0.000) 7.012 3.015 ( -3.353 2.693 0.000) 4.301 3.055 ( -0.626 0.537 0.000) 0.825 3.350 ( -6.357 -5.844 0.000) 8.635 5.256 ( 28.706 28.279 0.000) 40.295 5.411 ( 41.732 9.451 0.000) 42.789 5.503 ( 31.591 10.362 0.000) 33.247 5.622 ( 25.309 2.517 0.000) 25.434 5.886 ( 54.254 8.832 0.000) 54.968 5.921 ( 27.518 9.753 0.000) 29.196 6.098 ( 29.652 8.903 0.000) 30.960 6.186 ( 21.292 0.072 0.000) 21.292 6.952 ( 23.064 -3.775 0.000) 23.371 7.198 ( 21.433 2.641 0.000) 21.595 7.236 ( 9.903 59.377 0.000) 60.197 7.314 ( 2.241 8.980 0.000) 9.255 8.025 ( -3.659 3.046 0.000) 4.761 8.075 ( -4.608 -14.901 0.000) 15.598 8.991 ( 4.096 -12.644 0.000) 13.291 9.123 ( -6.251 -4.013 0.000) 7.428 9.530 ( 17.755 7.457 0.000) 19.258 9.599 ( 34.824 3.523 0.000) 35.002 9.690 ( 7.757 22.113 0.000) 23.434 9.877 ( -9.643 10.841 0.000) 14.509 10.593 ( 2.491 3.786 0.000) 4.532 10.797 ( -4.493 -9.556 0.000) 10.560 11.004 ( -1.330 -7.370 0.000) 7.489 11.410 ( -0.898 9.593 0.000) 9.635 11.946 ( -0.934 -23.838 0.000) 23.856 12.138 ( -7.463 -12.592 0.000) 14.637 12.454 ( -21.294 -2.892 0.000) 21.490 12.715 ( -2.413 -22.773 0.000) 22.901 13.320 ( -27.271 0.691 0.000) 27.280 13.619 ( -10.646 -9.849 0.000) 14.503 13.750 ( -11.359 -4.826 0.000) 12.341 13.871 ( -21.698 -6.058 0.000) 22.527 14.564 ( 10.912 8.949 0.000) 14.112 14.786 ( 3.006 16.671 0.000) 16.940 15.094 ( 11.102 5.727 0.000) 12.492 15.311 ( 7.262 1.034 0.000) 7.335 15.355 ( 7.841 7.325 0.000) 10.730 15.656 ( 0.030 8.115 0.000) 8.115 15.711 ( 1.670 -6.842 0.000) 7.043 15.998 ( -1.851 2.544 0.000) 3.146 16.007 ( 2.046 -7.206 0.000) 7.491 16.139 ( -8.271 -17.105 0.000) 18.999 16.195 ( -0.267 -6.540 0.000) 6.546 16.388 ( -1.912 -8.651 0.000) 8.859 22.963 ( 8.094 2.835 0.000) 8.576 23.081 ( 0.069 -0.478 0.000) 0.483 23.614 ( -2.047 7.875 0.000) 8.136 24.305 ( -1.825 -12.288 0.000) 12.422 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 9.187 4.510 0.000) 10.234 2.008 ( 9.310 5.327 0.000) 10.726 2.316 ( -0.446 -7.815 0.000) 7.828 2.363 ( -1.635 -2.455 0.000) 2.949 2.598 ( -7.722 -2.439 0.000) 8.098 2.600 ( -0.945 -1.802 0.000) 2.035 2.651 ( -3.277 -7.767 0.000) 8.430 2.671 ( -0.795 -0.987 0.000) 1.267 2.859 ( -4.922 4.632 0.000) 6.759 2.932 ( -5.054 2.820 0.000) 5.787 3.063 ( 0.708 -1.906 0.000) 2.034 3.225 ( -5.449 -4.754 0.000) 7.231 5.641 ( 11.520 31.230 0.000) 33.287 5.803 ( 8.071 23.498 0.000) 24.845 6.137 ( 19.006 1.737 0.000) 19.085 6.177 ( 29.520 10.741 0.000) 31.413 6.443 ( 19.559 7.060 0.000) 20.795 6.614 ( 22.735 3.751 0.000) 23.043 6.758 ( 31.678 19.195 0.000) 37.040 6.951 ( 22.530 1.546 0.000) 22.583 7.446 ( 17.583 11.179 0.000) 20.836 7.532 ( 26.869 14.396 0.000) 30.482 7.631 ( 26.549 25.067 0.000) 36.512 7.715 ( 28.758 -9.970 0.000) 30.437 7.992 ( 6.658 10.063 0.000) 12.066 8.061 ( 11.117 -12.473 0.000) 16.708 8.978 ( -1.117 -5.653 0.000) 5.762 8.994 ( -5.267 -3.338 0.000) 6.236 9.492 ( -16.007 22.631 0.000) 27.720 9.768 ( 11.133 14.087 0.000) 17.955 10.009 ( 11.319 16.235 0.000) 19.792 10.374 ( 14.681 -1.403 0.000) 14.748 10.595 ( -5.004 0.385 0.000) 5.019 10.605 ( -14.203 -5.408 0.000) 15.198 10.971 ( 8.677 -3.170 0.000) 9.238 11.464 ( 4.659 2.825 0.000) 5.448 11.803 ( -16.997 -8.001 0.000) 18.786 11.990 ( -1.146 -5.793 0.000) 5.905 12.080 ( -10.752 -12.142 0.000) 16.218 12.660 ( -5.742 -15.289 0.000) 16.332 12.843 ( -13.025 -3.855 0.000) 13.584 13.303 ( -27.810 -3.463 0.000) 28.025 13.360 ( -15.762 -12.138 0.000) 19.894 13.488 ( -16.514 -9.817 0.000) 19.212 14.822 ( 14.150 0.265 0.000) 14.153 14.919 ( 8.702 6.836 0.000) 11.066 15.257 ( 3.530 -4.491 0.000) 5.713 15.461 ( 8.390 7.742 0.000) 11.417 15.531 ( 8.268 4.955 0.000) 9.640 15.673 ( 1.511 8.673 0.000) 8.804 15.692 ( -4.765 -7.921 0.000) 9.244 15.896 ( -6.424 -9.498 0.000) 11.467 16.001 ( -4.905 0.914 0.000) 4.990 16.019 ( -0.978 -5.712 0.000) 5.795 16.198 ( 0.600 -6.320 0.000) 6.349 16.337 ( -2.986 -5.001 0.000) 5.824 23.114 ( 6.753 0.023 0.000) 6.753 23.257 ( 15.727 -2.429 0.000) 15.914 23.549 ( -4.362 7.612 0.000) 8.773 24.212 ( -7.745 -11.582 0.000) 13.933 ======================= Grid point 22 (15/120) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 4.811 -3.376 0.000) 5.878 2.128 ( 1.644 -3.161 0.000) 3.563 2.320 ( -0.297 -9.590 0.000) 9.595 2.323 ( -1.507 -5.348 0.000) 5.557 2.499 ( -0.858 1.590 0.000) 1.807 2.536 ( -3.652 -3.061 0.000) 4.765 2.653 ( 2.331 -3.159 0.000) 3.926 2.671 ( 0.312 -1.500 0.000) 1.532 2.774 ( -2.230 6.238 0.000) 6.625 2.816 ( -5.414 4.031 0.000) 6.750 3.086 ( 1.643 -3.470 0.000) 3.839 3.135 ( -3.273 -4.105 0.000) 5.250 5.813 ( 5.711 32.422 0.000) 32.921 5.876 ( -0.232 31.314 0.000) 31.315 6.440 ( 10.025 -2.387 0.000) 10.305 6.518 ( 3.548 -3.171 0.000) 4.759 6.783 ( 16.926 5.194 0.000) 17.705 7.015 ( 9.584 9.640 0.000) 13.593 7.023 ( -1.041 10.037 0.000) 10.090 7.072 ( -1.718 3.318 0.000) 3.736 7.770 ( 9.639 3.322 0.000) 10.195 7.804 ( 1.271 22.143 0.000) 22.179 7.948 ( 14.033 36.469 0.000) 39.076 8.211 ( 9.130 16.568 0.000) 18.917 8.545 ( 26.826 -10.847 0.000) 28.935 8.577 ( 28.108 0.456 0.000) 28.112 8.933 ( -7.696 -3.735 0.000) 8.555 8.981 ( -1.109 1.025 0.000) 1.510 9.428 ( 23.249 7.319 0.000) 24.374 9.954 ( 1.577 7.300 0.000) 7.468 10.065 ( -24.164 0.801 0.000) 24.177 10.113 ( -5.486 1.207 0.000) 5.618 10.300 ( -8.888 5.621 0.000) 10.516 10.367 ( -14.504 -1.620 0.000) 14.594 11.369 ( 20.175 2.006 0.000) 20.274 11.500 ( -6.879 9.693 0.000) 11.886 11.505 ( -1.005 3.290 0.000) 3.440 11.795 ( -18.788 -8.594 0.000) 20.660 12.261 ( 22.523 -6.179 0.000) 23.355 12.514 ( -4.071 -9.183 0.000) 10.045 12.827 ( -13.697 -5.557 0.000) 14.782 12.861 ( 6.415 -12.295 0.000) 13.868 12.976 ( -17.526 -13.385 0.000) 22.053 13.151 ( -15.638 -14.790 0.000) 21.524 15.101 ( 8.112 -1.175 0.000) 8.197 15.128 ( 14.181 -8.064 0.000) 16.313 15.249 ( -2.495 -6.181 0.000) 6.665 15.460 ( -14.027 -12.732 0.000) 18.943 15.634 ( 6.601 6.179 0.000) 9.041 15.676 ( 2.372 4.297 0.000) 4.908 15.724 ( 4.036 9.327 0.000) 10.163 15.823 ( -2.793 -0.520 0.000) 2.841 15.913 ( -1.648 4.383 0.000) 4.682 15.966 ( -3.881 -3.068 0.000) 4.947 16.223 ( 1.877 -5.908 0.000) 6.199 16.274 ( -2.967 -5.041 0.000) 5.849 23.273 ( 8.245 2.697 0.000) 8.675 23.433 ( -6.941 5.803 0.000) 9.047 23.625 ( 18.718 -6.582 0.000) 19.841 23.979 ( -14.802 -9.701 0.000) 17.698 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.000 21.830 0.000) 21.830 1.882 ( 0.000 23.412 0.000) 23.412 2.076 ( 0.000 -16.139 0.000) 16.139 2.241 ( 0.000 -12.507 0.000) 12.507 2.506 ( 0.000 3.068 0.000) 3.068 2.579 ( 0.000 -4.030 0.000) 4.030 2.876 ( 0.000 2.938 0.000) 2.938 2.934 ( 0.000 -1.676 0.000) 1.676 3.189 ( 0.000 7.081 0.000) 7.081 3.245 ( 0.000 6.862 0.000) 6.862 3.362 ( 0.000 -9.826 0.000) 9.826 3.368 ( 0.000 -5.735 0.000) 5.735 4.093 ( 0.000 3.336 0.000) 3.336 4.122 ( 0.000 0.617 0.000) 0.617 4.198 ( 0.000 14.816 0.000) 14.816 4.388 ( 0.000 -5.331 0.000) 5.331 5.431 ( 0.000 12.430 0.000) 12.430 5.543 ( 0.000 14.512 0.000) 14.512 5.642 ( 0.000 -8.435 0.000) 8.435 5.694 ( 0.000 -0.457 0.000) 0.457 6.482 ( 0.000 -2.052 0.000) 2.052 6.484 ( 0.000 -1.430 0.000) 1.430 7.547 ( 0.000 15.866 0.000) 15.866 7.879 ( 0.000 -18.334 0.000) 18.334 7.992 ( 0.000 10.882 0.000) 10.882 8.255 ( 0.000 -14.580 0.000) 14.580 8.492 ( 0.000 61.647 0.000) 61.647 9.097 ( 0.000 3.019 0.000) 3.019 9.182 ( 0.000 -15.309 0.000) 15.309 9.233 ( 0.000 -9.773 0.000) 9.773 9.772 ( 0.000 27.294 0.000) 27.294 10.146 ( 0.000 -7.853 0.000) 7.853 10.606 ( 0.000 6.546 0.000) 6.546 10.632 ( 0.000 1.395 0.000) 1.395 10.756 ( 0.000 -9.089 0.000) 9.089 11.158 ( 0.000 -50.150 0.000) 50.150 11.812 ( 0.000 13.518 0.000) 13.518 12.027 ( 0.000 -8.429 0.000) 8.429 12.604 ( 0.000 2.265 0.000) 2.265 12.725 ( 0.000 -9.005 0.000) 9.005 13.951 ( 0.000 9.002 0.000) 9.002 14.118 ( 0.000 3.968 0.000) 3.968 14.149 ( 0.000 -10.677 0.000) 10.677 14.168 ( 0.000 -0.903 0.000) 0.903 14.409 ( 0.000 8.877 0.000) 8.877 14.587 ( 0.000 -8.680 0.000) 8.680 15.231 ( 0.000 15.869 0.000) 15.869 15.335 ( 0.000 19.799 0.000) 19.799 15.443 ( 0.000 17.870 0.000) 17.870 15.454 ( 0.000 -8.977 0.000) 8.977 15.680 ( 0.000 -15.410 0.000) 15.410 15.870 ( 0.000 9.643 0.000) 9.643 15.902 ( 0.000 -27.962 0.000) 27.962 16.052 ( 0.000 -9.177 0.000) 9.177 16.101 ( 0.000 5.651 0.000) 5.651 16.211 ( 0.000 -5.559 0.000) 5.559 23.024 ( 0.000 9.918 0.000) 9.918 23.196 ( 0.000 -7.913 0.000) 7.913 23.819 ( 0.000 10.967 0.000) 10.967 24.054 ( 0.000 -13.289 0.000) 13.289 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 7.272 19.408 0.000) 20.725 1.940 ( 5.179 19.948 0.000) 20.609 2.124 ( 3.572 -14.186 0.000) 14.629 2.249 ( 1.059 -11.194 0.000) 11.244 2.547 ( 2.775 1.331 0.000) 3.078 2.602 ( 1.558 -3.413 0.000) 3.752 2.809 ( -5.347 2.204 0.000) 5.783 2.870 ( -6.013 -3.386 0.000) 6.901 3.143 ( -5.512 5.011 0.000) 7.449 3.169 ( -2.034 7.296 0.000) 7.575 3.199 ( -9.395 -0.887 0.000) 9.437 3.323 ( -3.549 -8.281 0.000) 9.009 4.549 ( 41.270 4.838 0.000) 41.552 4.622 ( 44.313 -2.523 0.000) 44.385 4.777 ( 42.909 8.305 0.000) 43.705 4.856 ( 37.023 -0.593 0.000) 37.028 5.557 ( 12.164 12.115 0.000) 17.168 5.713 ( 14.339 15.421 0.000) 21.058 5.757 ( 11.032 -7.670 0.000) 13.436 5.892 ( 16.362 -0.640 0.000) 16.375 6.579 ( 9.569 -0.137 0.000) 9.570 6.659 ( 16.516 -6.567 0.000) 17.773 7.542 ( -0.679 14.948 0.000) 14.963 7.850 ( -2.907 -16.777 0.000) 17.027 8.140 ( 9.862 11.183 0.000) 14.910 8.398 ( 15.053 -13.554 0.000) 20.256 8.469 ( -1.781 58.074 0.000) 58.102 9.107 ( -5.687 -13.707 0.000) 14.840 9.186 ( 9.900 3.328 0.000) 10.444 9.297 ( 8.567 -7.212 0.000) 11.199 9.896 ( 10.211 24.726 0.000) 26.752 10.152 ( 0.145 -0.185 0.000) 0.235 10.636 ( 0.365 -0.299 0.000) 0.472 10.638 ( 2.611 6.447 0.000) 6.955 10.786 ( 2.594 -9.067 0.000) 9.431 11.177 ( 1.754 -49.905 0.000) 49.936 11.763 ( -4.530 14.102 0.000) 14.812 11.999 ( -2.976 -10.584 0.000) 10.994 12.554 ( -4.660 0.515 0.000) 4.689 12.649 ( -7.773 -7.817 0.000) 11.024 13.823 ( -19.748 2.123 0.000) 19.862 13.867 ( -22.124 -2.389 0.000) 22.252 13.901 ( -5.380 6.020 0.000) 8.074 14.055 ( -9.369 -9.088 0.000) 13.053 14.592 ( 10.880 11.736 0.000) 16.003 14.796 ( 12.485 -9.023 0.000) 15.404 15.216 ( -2.153 19.723 0.000) 19.840 15.387 ( 4.749 17.932 0.000) 18.550 15.436 ( 0.873 13.788 0.000) 13.815 15.487 ( 2.701 -9.749 0.000) 10.116 15.697 ( 1.657 -12.420 0.000) 12.530 15.836 ( -5.579 -25.974 0.000) 26.566 15.880 ( 0.916 7.477 0.000) 7.533 16.050 ( -0.142 -8.978 0.000) 8.979 16.113 ( 0.945 5.815 0.000) 5.891 16.231 ( 1.495 -6.404 0.000) 6.576 23.003 ( -1.237 7.437 0.000) 7.539 23.125 ( -5.305 -5.101 0.000) 7.359 23.819 ( -0.126 11.293 0.000) 11.294 24.060 ( 0.320 -13.515 0.000) 13.519 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 6.890 13.273 0.000) 14.955 2.060 ( 5.618 14.190 0.000) 15.262 2.181 ( 1.320 -9.862 0.000) 9.950 2.284 ( 1.780 -8.268 0.000) 8.457 2.570 ( -0.808 -1.187 0.000) 1.436 2.602 ( -1.970 -3.446 0.000) 3.969 2.690 ( -5.489 -0.109 0.000) 5.490 2.719 ( -7.662 -2.905 0.000) 8.195 3.044 ( -5.271 2.953 0.000) 6.042 3.070 ( -3.020 0.119 0.000) 3.022 3.107 ( -3.831 6.163 0.000) 7.257 3.231 ( -5.138 -6.554 0.000) 8.328 5.540 ( 44.642 5.308 0.000) 44.956 5.618 ( 37.235 -2.578 0.000) 37.324 5.642 ( 38.776 6.699 0.000) 39.350 5.672 ( 34.730 6.900 0.000) 35.409 6.017 ( 41.929 6.622 0.000) 42.449 6.073 ( 22.358 12.773 0.000) 25.750 6.126 ( 29.218 -3.738 0.000) 29.456 6.259 ( 19.855 -0.052 0.000) 19.855 6.880 ( 20.508 0.840 0.000) 20.525 7.054 ( 18.628 -13.776 0.000) 23.169 7.519 ( -0.865 12.234 0.000) 12.264 7.767 ( -4.279 -13.129 0.000) 13.808 8.294 ( 6.107 21.007 0.000) 21.877 8.445 ( -0.178 49.284 0.000) 49.284 8.690 ( 8.201 -18.874 0.000) 20.579 8.994 ( -5.122 -12.558 0.000) 13.562 9.633 ( 27.347 3.069 0.000) 27.518 9.647 ( 30.308 1.270 0.000) 30.334 10.094 ( 1.471 17.189 0.000) 17.252 10.156 ( 5.766 17.961 0.000) 18.864 10.634 ( -1.240 -0.644 0.000) 1.397 10.686 ( 1.228 6.179 0.000) 6.300 10.833 ( 0.720 -9.060 0.000) 9.089 11.226 ( 2.805 -47.765 0.000) 47.847 11.649 ( -5.432 13.814 0.000) 14.844 11.902 ( -5.847 -12.567 0.000) 13.861 12.398 ( -16.148 -1.988 0.000) 16.270 12.427 ( -7.028 -6.549 0.000) 9.606 13.358 ( -23.953 3.328 0.000) 24.183 13.453 ( -17.725 -6.834 0.000) 18.997 13.698 ( -15.001 0.099 0.000) 15.001 13.755 ( -19.700 -5.364 0.000) 20.417 14.780 ( 7.534 12.394 0.000) 14.504 15.003 ( 7.381 -10.339 0.000) 12.703 15.149 ( -3.220 20.850 0.000) 21.097 15.507 ( 5.589 8.693 0.000) 10.334 15.513 ( 7.021 14.552 0.000) 16.157 15.524 ( -1.113 -15.053 0.000) 15.094 15.726 ( -3.048 -16.965 0.000) 17.236 15.746 ( 3.081 -5.771 0.000) 6.542 15.902 ( 0.951 3.039 0.000) 3.184 16.048 ( -0.031 -8.624 0.000) 8.624 16.126 ( 0.005 6.230 0.000) 6.230 16.252 ( 0.161 -6.705 0.000) 6.707 23.018 ( 3.505 2.758 0.000) 4.460 23.061 ( 0.822 -1.650 0.000) 1.844 23.803 ( -1.785 11.785 0.000) 11.919 24.051 ( -1.686 -13.771 0.000) 13.874 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 1.665 6.172 0.000) 6.393 2.137 ( 1.143 7.746 0.000) 7.830 2.176 ( -1.293 -7.002 0.000) 7.120 2.283 ( -2.767 -6.665 0.000) 7.216 2.535 ( -1.735 -1.199 0.000) 2.109 2.563 ( -0.025 -2.906 0.000) 2.906 2.583 ( -3.942 0.983 0.000) 4.063 2.626 ( -1.418 -3.001 0.000) 3.319 2.952 ( -3.701 4.475 0.000) 5.807 3.017 ( -4.765 5.451 0.000) 7.240 3.023 ( -1.653 -2.820 0.000) 3.268 3.124 ( -4.860 -5.620 0.000) 7.430 6.040 ( 14.018 6.686 0.000) 15.531 6.065 ( 11.239 14.076 0.000) 18.012 6.128 ( 16.201 -2.673 0.000) 16.420 6.247 ( 15.134 -5.119 0.000) 15.976 6.614 ( 23.319 14.357 0.000) 27.385 6.760 ( 25.552 3.530 0.000) 25.795 6.950 ( 32.256 3.838 0.000) 32.484 6.982 ( 28.525 0.397 0.000) 28.527 7.405 ( 21.549 -3.672 0.000) 21.860 7.505 ( 37.755 -11.413 0.000) 39.443 7.663 ( 25.349 7.394 0.000) 26.405 7.832 ( 21.120 -10.136 0.000) 23.426 8.426 ( 7.169 25.270 0.000) 26.268 8.450 ( -0.076 37.783 0.000) 37.783 8.800 ( 4.967 -13.790 0.000) 14.657 8.884 ( -6.038 -10.693 0.000) 12.280 9.960 ( -11.131 25.252 0.000) 27.596 10.087 ( 17.293 17.302 0.000) 24.462 10.266 ( -2.957 0.067 0.000) 2.958 10.317 ( 17.989 -5.956 0.000) 18.949 10.589 ( -0.932 16.746 0.000) 16.771 10.626 ( -8.682 4.116 0.000) 9.608 10.796 ( 0.641 -12.542 0.000) 12.559 11.276 ( 1.216 -42.002 0.000) 42.019 11.618 ( 4.180 11.651 0.000) 12.378 11.839 ( 2.942 -10.260 0.000) 10.673 12.062 ( -13.593 8.084 0.000) 15.815 12.309 ( -3.074 -17.257 0.000) 17.529 12.907 ( -18.894 7.772 0.000) 20.430 13.105 ( -16.860 -12.660 0.000) 21.084 13.258 ( -26.122 -0.270 0.000) 26.124 13.320 ( -21.657 -6.738 0.000) 22.680 14.919 ( 6.479 8.604 0.000) 10.771 15.103 ( 2.678 -9.825 0.000) 10.183 15.111 ( -0.532 13.217 0.000) 13.227 15.411 ( -8.145 -17.366 0.000) 19.181 15.639 ( 6.610 5.174 0.000) 8.394 15.659 ( 6.747 11.084 0.000) 12.976 15.740 ( 2.705 -5.664 0.000) 6.276 15.821 ( 4.157 0.567 0.000) 4.196 15.908 ( -0.527 0.071 0.000) 0.532 16.053 ( 0.678 -8.681 0.000) 8.707 16.103 ( -2.389 6.628 0.000) 7.045 16.229 ( -2.392 -6.306 0.000) 6.744 23.140 ( 8.547 2.545 0.000) 8.917 23.200 ( 11.698 -3.375 0.000) 12.175 23.732 ( -5.363 11.380 0.000) 12.580 23.970 ( -6.528 -13.154 0.000) 14.685 ======================= Grid point 31 (20/120) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 1.133 1.759 0.000) 2.092 2.110 ( -2.746 1.582 0.000) 3.170 2.152 ( -0.367 -7.255 0.000) 7.264 2.192 ( -4.383 -6.640 0.000) 7.956 2.535 ( 1.132 2.350 0.000) 2.609 2.549 ( -0.299 3.350 0.000) 3.363 2.594 ( 1.965 -3.328 0.000) 3.865 2.617 ( -0.256 -3.521 0.000) 3.530 2.899 ( -1.058 6.397 0.000) 6.484 2.925 ( -3.500 6.404 0.000) 7.298 3.008 ( 0.389 -4.928 0.000) 4.943 3.042 ( -2.933 -5.639 0.000) 6.356 6.224 ( 4.371 13.520 0.000) 14.209 6.229 ( 4.311 10.235 0.000) 11.106 6.367 ( 7.217 -5.264 0.000) 8.933 6.414 ( 2.710 -7.477 0.000) 7.953 6.934 ( 10.601 9.305 0.000) 14.106 7.078 ( 6.312 -3.888 0.000) 7.413 7.098 ( -4.808 3.481 0.000) 5.935 7.149 ( -1.722 -0.593 0.000) 1.821 7.967 ( 27.915 16.128 0.000) 32.239 8.288 ( 31.429 -15.873 0.000) 35.210 8.316 ( 0.132 22.976 0.000) 22.976 8.510 ( 20.031 14.051 0.000) 24.468 8.557 ( 26.971 -4.227 0.000) 27.300 8.591 ( 8.653 26.688 0.000) 28.055 8.762 ( -0.314 -12.209 0.000) 12.213 8.920 ( 4.093 -8.876 0.000) 9.774 9.743 ( -2.163 20.158 0.000) 20.274 10.023 ( -13.139 -9.246 0.000) 16.066 10.084 ( -25.743 3.154 0.000) 25.936 10.112 ( -17.482 1.761 0.000) 17.571 10.510 ( 3.731 21.980 0.000) 22.295 10.590 ( -1.707 26.461 0.000) 26.516 11.050 ( 13.949 -27.398 0.000) 30.744 11.240 ( -5.041 -34.215 0.000) 34.585 11.783 ( 9.307 17.529 0.000) 19.847 11.908 ( -3.208 19.227 0.000) 19.493 12.086 ( 17.817 -12.951 0.000) 22.026 12.304 ( -0.816 -18.559 0.000) 18.576 12.656 ( -2.343 -0.995 0.000) 2.545 12.764 ( -13.503 -9.246 0.000) 16.365 12.769 ( -17.491 1.003 0.000) 17.520 12.888 ( -18.552 -11.071 0.000) 21.604 15.059 ( 7.140 0.799 0.000) 7.185 15.114 ( 0.480 3.154 0.000) 3.191 15.130 ( 0.503 -5.729 0.000) 5.751 15.235 ( -8.520 -9.568 0.000) 12.812 15.751 ( 3.372 3.394 0.000) 4.784 15.760 ( 2.402 6.720 0.000) 7.136 15.802 ( 3.456 -1.859 0.000) 3.924 15.873 ( -2.758 -2.970 0.000) 4.053 15.919 ( 5.265 7.191 0.000) 8.912 16.028 ( -4.793 6.937 0.000) 8.432 16.087 ( 2.810 -8.260 0.000) 8.725 16.161 ( -3.915 -6.669 0.000) 7.733 23.355 ( 11.504 5.891 0.000) 12.924 23.487 ( 15.088 -7.516 0.000) 16.856 23.578 ( -9.529 9.319 0.000) 13.329 23.776 ( -12.243 -11.030 0.000) 16.479 ======================= Grid point 63 (21/120) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.663 ( 0.000 0.000 33.421) 33.421 0.696 ( 0.000 0.000 34.773) 34.773 1.150 ( 0.000 0.000 56.261) 56.261 2.450 ( 0.000 0.000 1.855) 1.855 2.704 ( 0.000 0.000 -1.057) 1.057 2.777 ( 0.000 0.000 -3.057) 3.057 2.905 ( 0.000 0.000 -10.557) 10.557 2.958 ( 0.000 0.000 0.997) 0.997 3.026 ( 0.000 0.000 -24.948) 24.948 3.059 ( 0.000 0.000 -2.947) 2.947 3.285 ( 0.000 0.000 -1.768) 1.768 3.448 ( 0.000 0.000 23.969) 23.969 3.720 ( 0.000 0.000 -2.232) 2.232 4.301 ( 0.000 0.000 8.166) 8.166 4.377 ( 0.000 0.000 12.509) 12.509 4.758 ( 0.000 0.000 46.679) 46.679 4.860 ( 0.000 0.000 50.037) 50.037 5.006 ( 0.000 0.000 9.094) 9.094 5.565 ( 0.000 0.000 7.334) 7.334 5.739 ( 0.000 0.000 9.840) 9.840 6.409 ( 0.000 0.000 -5.925) 5.925 6.533 ( 0.000 0.000 37.477) 37.477 6.654 ( 0.000 0.000 4.661) 4.661 7.153 ( 0.000 0.000 5.284) 5.284 8.053 ( 0.000 0.000 7.346) 7.346 8.411 ( 0.000 0.000 -2.574) 2.574 8.546 ( 0.000 0.000 2.925) 2.925 9.033 ( 0.000 0.000 11.616) 11.616 9.119 ( 0.000 0.000 -19.137) 19.137 9.641 ( 0.000 0.000 4.607) 4.607 9.856 ( 0.000 0.000 11.863) 11.863 10.042 ( 0.000 0.000 -3.161) 3.161 10.289 ( 0.000 0.000 -13.177) 13.177 11.062 ( 0.000 0.000 -9.807) 9.807 11.168 ( 0.000 0.000 0.343) 0.343 11.279 ( 0.000 0.000 10.369) 10.369 11.800 ( 0.000 0.000 1.165) 1.165 12.720 ( 0.000 0.000 0.585) 0.585 12.868 ( 0.000 0.000 -19.217) 19.217 13.034 ( 0.000 0.000 -13.185) 13.185 13.781 ( 0.000 0.000 -9.430) 9.430 14.001 ( 0.000 0.000 1.949) 1.949 14.022 ( 0.000 0.000 -7.091) 7.091 14.170 ( 0.000 0.000 -23.790) 23.790 14.198 ( 0.000 0.000 4.619) 4.619 14.376 ( 0.000 0.000 8.174) 8.174 14.957 ( 0.000 0.000 -1.657) 1.657 15.279 ( 0.000 0.000 5.900) 5.900 15.292 ( 0.000 0.000 17.420) 17.420 15.545 ( 0.000 0.000 3.343) 3.343 15.789 ( 0.000 0.000 2.557) 2.557 15.825 ( 0.000 0.000 -2.155) 2.155 16.037 ( 0.000 0.000 -2.109) 2.109 16.088 ( 0.000 0.000 2.309) 2.309 16.381 ( 0.000 0.000 -1.379) 1.379 16.985 ( 0.000 0.000 -7.513) 7.513 22.666 ( 0.000 0.000 7.267) 7.267 22.914 ( 0.000 0.000 1.227) 1.227 23.502 ( 0.000 0.000 -1.815) 1.815 24.573 ( 0.000 0.000 0.548) 0.548 ======================= Grid point 64 (22/120) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 25.603 0.000 18.934) 31.843 1.023 ( 22.318 0.000 20.553) 30.340 1.628 ( 37.668 0.000 33.712) 50.551 2.488 ( 3.195 0.000 1.600) 3.573 2.703 ( -2.488 0.000 -4.078) 4.776 2.726 ( -0.637 0.000 -1.311) 1.457 2.830 ( -11.126 0.000 0.061) 11.126 2.861 ( -2.901 0.000 -6.006) 6.670 2.946 ( -1.358 0.000 -4.592) 4.788 3.143 ( -9.895 0.000 -0.116) 9.895 3.239 ( -0.147 0.000 -3.157) 3.160 3.514 ( 23.164 0.000 -16.006) 28.156 3.681 ( -6.795 0.000 0.687) 6.830 4.339 ( 1.611 0.000 2.997) 3.403 4.458 ( 16.062 0.000 13.163) 20.766 4.556 ( 16.168 0.000 10.068) 19.047 5.042 ( 13.558 0.000 29.339) 32.320 5.306 ( 14.959 0.000 13.819) 20.365 5.568 ( 8.352 0.000 13.264) 15.674 6.043 ( 24.369 0.000 17.354) 29.916 6.462 ( 5.105 0.000 -4.746) 6.970 6.627 ( 8.153 0.000 30.474) 31.545 6.820 ( 18.846 0.000 15.667) 24.508 7.137 ( -0.476 0.000 4.152) 4.179 8.308 ( -4.339 0.000 0.897) 4.431 8.496 ( 41.009 0.000 9.240) 42.037 8.552 ( 0.149 0.000 1.796) 1.803 9.084 ( -3.581 0.000 -17.382) 17.747 9.093 ( 5.337 0.000 11.170) 12.379 9.395 ( -6.634 0.000 12.108) 13.806 9.777 ( -9.288 0.000 11.761) 14.986 9.875 ( -15.213 0.000 -3.515) 15.613 10.328 ( 4.022 0.000 -12.348) 12.987 11.049 ( -1.607 0.000 -7.689) 7.856 11.155 ( -2.957 0.000 1.197) 3.190 11.281 ( 1.042 0.000 5.362) 5.463 12.152 ( 13.335 0.000 -5.291) 14.346 12.487 ( -28.280 0.000 -30.879) 41.872 13.019 ( 14.325 0.000 -19.806) 24.443 13.060 ( -4.894 0.000 -2.872) 5.675 13.619 ( -15.175 0.000 -9.714) 18.018 13.946 ( -3.204 0.000 6.533) 7.277 13.990 ( -8.852 0.000 -24.971) 26.494 14.103 ( -4.995 0.000 8.063) 9.485 14.169 ( 4.459 0.000 -8.580) 9.669 14.543 ( 12.771 0.000 5.660) 13.969 14.796 ( -13.441 0.000 28.461) 31.475 14.984 ( 2.545 0.000 -3.963) 4.709 15.466 ( 12.520 0.000 18.064) 21.979 15.537 ( -0.312 0.000 4.745) 4.755 15.801 ( -2.026 0.000 -3.597) 4.128 16.016 ( -2.070 0.000 -2.038) 2.905 16.127 ( 3.117 0.000 2.810) 4.197 16.148 ( 9.257 0.000 -10.201) 13.775 16.377 ( -0.870 0.000 -2.282) 2.442 16.910 ( -6.899 0.000 -7.054) 9.867 22.740 ( 7.218 0.000 7.055) 10.094 23.076 ( 7.059 0.000 2.167) 7.384 23.473 ( -2.660 0.000 -3.429) 4.340 24.571 ( -0.371 0.000 -0.552) 0.665 ======================= Grid point 65 (23/120) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 20.644 0.000 7.103) 21.832 1.535 ( 25.103 0.000 7.724) 26.264 2.302 ( 21.982 0.000 15.013) 26.619 2.556 ( 2.055 0.000 0.744) 2.186 2.605 ( -5.228 0.000 -4.082) 6.633 2.611 ( -7.954 0.000 4.150) 8.971 2.700 ( -3.792 0.000 -0.496) 3.825 2.844 ( 1.751 0.000 -7.869) 8.062 2.917 ( -10.620 0.000 -1.462) 10.720 2.960 ( 2.621 0.000 -4.051) 4.825 3.272 ( 1.763 0.000 -4.124) 4.485 3.508 ( -8.563 0.000 1.885) 8.768 4.112 ( 26.081 0.000 -27.450) 37.865 4.363 ( 1.414 0.000 -0.042) 1.414 4.995 ( 27.805 0.000 0.443) 27.808 5.266 ( 46.280 0.000 -30.221) 55.273 5.434 ( 27.171 0.000 1.289) 27.201 5.680 ( 24.958 0.000 10.025) 26.896 5.995 ( 33.516 0.000 8.441) 34.563 6.478 ( 16.506 0.000 12.020) 20.419 6.619 ( 10.259 0.000 -2.092) 10.470 6.832 ( 11.635 0.000 17.591) 21.091 7.158 ( 3.221 0.000 2.150) 3.873 7.470 ( 40.046 0.000 28.630) 49.228 8.191 ( -8.737 0.000 -4.389) 9.778 8.546 ( -0.480 0.000 -2.502) 2.548 9.003 ( -3.723 0.000 -9.144) 9.872 9.147 ( -6.286 0.000 7.222) 9.574 9.374 ( 2.254 0.000 7.873) 8.190 9.481 ( 13.101 0.000 -0.188) 13.103 9.559 ( -9.283 0.000 13.616) 16.479 9.626 ( 33.120 0.000 9.315) 34.406 10.414 ( 4.038 0.000 -10.653) 11.393 10.987 ( -4.245 0.000 -2.810) 5.091 11.008 ( -11.417 0.000 0.571) 11.432 11.351 ( 5.190 0.000 -2.404) 5.719 11.830 ( -32.851 0.000 -39.549) 51.413 12.353 ( 6.023 0.000 1.767) 6.277 12.828 ( -16.290 0.000 7.057) 17.753 13.039 ( -15.877 0.000 -28.332) 32.477 13.234 ( -11.743 0.000 -2.888) 12.093 13.692 ( -18.793 0.000 -20.155) 27.557 13.855 ( -7.233 0.000 12.895) 14.785 13.971 ( -7.148 0.000 6.839) 9.892 14.447 ( 19.563 0.000 -2.659) 19.743 14.806 ( 10.108 0.000 19.820) 22.249 14.820 ( 13.303 0.000 1.945) 13.445 15.062 ( 5.311 0.000 -9.302) 10.712 15.551 ( 1.665 0.000 6.543) 6.752 15.679 ( 6.794 0.000 19.458) 20.610 15.753 ( -2.247 0.000 -5.166) 5.633 15.951 ( -4.271 0.000 -1.774) 4.625 16.183 ( 1.739 0.000 3.797) 4.176 16.219 ( 0.032 0.000 -7.308) 7.308 16.334 ( -3.081 0.000 -4.419) 5.387 16.717 ( -11.381 0.000 -4.538) 12.252 22.965 ( 14.575 0.000 5.985) 15.756 23.155 ( 1.812 0.000 5.191) 5.498 23.402 ( -3.933 0.000 -6.701) 7.770 24.540 ( -3.245 0.000 -2.829) 4.305 ======================= Grid point 66 (24/120) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 16.427 0.000 -0.709) 16.442 1.987 ( 18.482 0.000 3.017) 18.726 2.477 ( -2.749 0.000 0.708) 2.839 2.512 ( 1.953 0.000 0.899) 2.150 2.522 ( -2.698 0.000 -3.586) 4.487 2.605 ( -4.302 0.000 -0.591) 4.343 2.607 ( 0.444 0.000 1.192) 1.272 2.704 ( -10.097 0.000 -1.956) 10.285 2.884 ( 0.871 0.000 -4.508) 4.592 3.004 ( -0.124 0.000 2.661) 2.664 3.282 ( -1.004 0.000 -3.642) 3.778 3.364 ( -4.586 0.000 2.139) 5.060 4.356 ( 2.615 0.000 -1.477) 3.003 4.444 ( 3.781 0.000 -8.804) 9.582 5.733 ( 40.093 0.000 -10.410) 41.422 6.000 ( 28.910 0.000 -10.352) 30.708 6.148 ( 38.976 0.000 -23.896) 45.719 6.302 ( 29.527 0.000 8.320) 30.676 6.713 ( 20.803 0.000 -12.215) 24.125 6.746 ( 9.800 0.000 9.603) 13.720 6.944 ( 21.699 0.000 -2.929) 21.896 7.120 ( 17.693 0.000 7.327) 19.150 7.339 ( 17.236 0.000 -10.829) 20.356 7.952 ( -13.471 0.000 -8.958) 16.178 8.136 ( 10.370 0.000 5.244) 11.621 8.608 ( 11.375 0.000 -10.549) 15.513 8.812 ( -10.366 0.000 7.626) 12.869 8.933 ( -2.494 0.000 -2.200) 3.326 9.259 ( -10.663 0.000 12.153) 16.168 9.568 ( 6.736 0.000 -3.087) 7.409 9.643 ( 14.783 0.000 8.616) 17.111 10.359 ( 3.116 0.000 -3.663) 4.809 10.458 ( -3.697 0.000 -13.945) 14.427 10.710 ( -15.064 0.000 -0.931) 15.093 11.014 ( 11.321 0.000 11.969) 16.475 11.359 ( -2.586 0.000 -24.958) 25.092 11.444 ( 2.562 0.000 -6.142) 6.655 12.200 ( -21.611 0.000 -12.552) 24.992 12.465 ( -15.459 0.000 15.991) 22.241 12.776 ( -1.864 0.000 -12.463) 12.601 13.118 ( -7.736 0.000 -5.898) 9.727 13.303 ( -12.196 0.000 -6.106) 13.639 13.604 ( -17.591 0.000 16.188) 23.905 13.800 ( -9.605 0.000 9.674) 13.633 14.891 ( 22.337 0.000 0.872) 22.354 15.061 ( 9.951 0.000 -9.148) 13.518 15.092 ( 16.235 0.000 10.609) 19.394 15.216 ( 9.402 0.000 -7.467) 12.007 15.559 ( -2.358 0.000 -2.761) 3.631 15.727 ( -1.914 0.000 18.862) 18.959 15.748 ( 1.629 0.000 1.496) 2.212 15.852 ( -3.849 0.000 0.601) 3.896 16.146 ( -8.578 0.000 -10.099) 13.250 16.180 ( -2.246 0.000 5.065) 5.541 16.283 ( -1.036 0.000 -4.647) 4.761 16.479 ( -10.301 0.000 -1.799) 10.457 23.180 ( 1.009 0.000 0.894) 1.348 23.322 ( -3.725 0.000 -8.766) 9.524 23.327 ( 20.151 0.000 3.410) 20.438 24.416 ( -9.266 0.000 -4.206) 10.176 ======================= Grid point 67 (25/120) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 13.361 0.000 -3.895) 13.917 2.290 ( 11.352 0.000 0.578) 11.367 2.398 ( -9.560 0.000 -4.065) 10.389 2.467 ( -2.531 0.000 -2.190) 3.347 2.522 ( -3.466 0.000 1.265) 3.690 2.532 ( 1.934 0.000 -4.433) 4.837 2.570 ( -1.063 0.000 -2.070) 2.327 2.578 ( -3.337 0.000 0.471) 3.370 2.889 ( 0.732 0.000 0.694) 1.009 2.944 ( -4.198 0.000 4.073) 5.849 3.269 ( 0.578 0.000 -1.257) 1.384 3.302 ( -2.279 0.000 0.402) 2.314 4.405 ( 2.508 0.000 -1.369) 2.858 4.453 ( -1.732 0.000 -3.524) 3.927 6.470 ( 27.318 0.000 -12.180) 29.910 6.502 ( 18.308 0.000 1.123) 18.343 6.674 ( 3.425 0.000 8.015) 8.716 6.716 ( 5.291 0.000 -14.192) 15.146 6.979 ( 21.860 0.000 13.358) 25.618 7.055 ( 16.259 0.000 -6.518) 17.517 7.193 ( 4.233 0.000 0.301) 4.244 7.477 ( -6.439 0.000 5.438) 8.428 7.579 ( 1.794 0.000 -17.186) 17.279 7.683 ( -11.209 0.000 -16.543) 19.983 7.966 ( 12.880 0.000 -34.205) 36.550 8.613 ( -26.608 0.000 -35.595) 44.440 8.913 ( 3.888 0.000 8.449) 9.300 9.048 ( -8.897 0.000 10.260) 13.580 9.225 ( 40.860 0.000 -33.092) 52.579 9.805 ( 17.808 0.000 6.577) 18.984 10.024 ( -15.790 0.000 -16.614) 22.920 10.052 ( 5.362 0.000 -3.593) 6.454 10.143 ( -13.679 0.000 4.540) 14.412 10.477 ( -15.221 0.000 0.066) 15.221 11.142 ( 10.110 0.000 9.962) 14.194 11.437 ( -11.114 0.000 13.165) 17.229 11.493 ( 6.273 0.000 -6.189) 8.812 11.763 ( -18.328 0.000 -9.300) 20.553 12.534 ( 25.311 0.000 15.635) 29.751 12.768 ( 0.476 0.000 -12.227) 12.236 12.861 ( -9.698 0.000 -9.808) 13.793 13.134 ( -27.735 0.000 15.762) 31.901 13.350 ( 9.751 0.000 9.065) 13.314 13.580 ( -11.519 0.000 10.917) 15.870 15.246 ( 8.316 0.000 -17.400) 19.285 15.310 ( 16.894 0.000 11.849) 20.635 15.368 ( 0.286 0.000 -13.462) 13.465 15.435 ( 14.617 0.000 -0.429) 14.623 15.510 ( 2.711 0.000 -1.284) 3.000 15.625 ( -5.262 0.000 15.744) 16.600 15.658 ( -7.994 0.000 0.632) 8.019 15.867 ( -17.280 0.000 -8.027) 19.054 15.931 ( 8.062 0.000 7.518) 11.024 16.089 ( -6.489 0.000 6.580) 9.241 16.284 ( 1.034 0.000 -5.149) 5.251 16.334 ( -4.173 0.000 -4.168) 5.898 23.207 ( 1.728 0.000 -4.732) 5.038 23.254 ( -2.817 0.000 -8.171) 8.643 23.759 ( 20.965 0.000 -0.236) 20.967 24.151 ( -16.411 0.000 -3.284) 16.736 ======================= Grid point 72 (26/120) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.000 20.813 20.628) 29.303 0.985 ( 0.000 24.934 22.695) 33.716 1.627 ( 0.000 38.423 32.158) 50.105 2.430 ( 0.000 -2.650 1.249) 2.929 2.646 ( 0.000 -11.874 -2.305) 12.096 2.676 ( 0.000 -2.684 -2.724) 3.824 2.793 ( 0.000 -0.194 -2.352) 2.360 2.826 ( 0.000 -4.306 -9.486) 10.418 3.025 ( 0.000 -5.890 -2.550) 6.419 3.063 ( 0.000 1.284 -23.339) 23.374 3.181 ( 0.000 -2.518 -1.533) 2.949 3.646 ( 0.000 -5.632 -2.480) 6.154 3.715 ( 0.000 18.446 23.804) 30.114 4.460 ( 0.000 5.129 21.251) 21.861 4.664 ( 0.000 7.929 42.901) 43.628 4.799 ( 0.000 6.668 42.345) 42.866 5.059 ( 0.000 5.391 7.852) 9.524 5.149 ( 0.000 44.571 17.914) 48.036 5.589 ( 0.000 -4.319 29.160) 29.478 5.607 ( 0.000 5.589 8.752) 10.384 6.543 ( 0.000 7.386 4.058) 8.428 6.555 ( 0.000 2.198 26.216) 26.308 6.655 ( 0.000 2.530 12.526) 12.779 7.203 ( 0.000 5.277 5.848) 7.877 7.964 ( 0.000 -4.161 10.569) 11.359 8.413 ( 0.000 0.426 -3.515) 3.541 8.468 ( 0.000 -8.366 2.339) 8.687 9.083 ( 0.000 -3.717 -20.419) 20.755 9.158 ( 0.000 12.153 12.504) 17.437 9.498 ( 0.000 -13.275 4.564) 14.038 9.786 ( 0.000 -5.382 7.585) 9.301 10.137 ( 0.000 5.438 -1.179) 5.565 10.293 ( 0.000 0.381 -13.884) 13.889 11.105 ( 0.000 -6.350 0.705) 6.389 11.163 ( 0.000 -1.066 2.444) 2.666 11.212 ( 0.000 4.090 0.292) 4.100 11.890 ( 0.000 5.697 -5.952) 8.239 12.380 ( 0.000 -13.383 5.102) 14.323 12.970 ( 0.000 -6.324 -12.013) 13.576 13.083 ( 0.000 -3.704 -16.883) 17.285 13.817 ( 0.000 3.352 -11.222) 11.711 13.881 ( 0.000 -6.152 -6.324) 8.823 14.037 ( 0.000 -8.018 -8.913) 11.988 14.127 ( 0.000 -3.836 -22.543) 22.867 14.242 ( 0.000 7.354 10.901) 13.149 14.521 ( 0.000 13.775 7.200) 15.543 14.859 ( 0.000 -5.706 16.102) 17.083 15.071 ( 0.000 2.299 1.449) 2.717 15.248 ( 0.000 -4.483 16.884) 17.470 15.589 ( 0.000 4.094 2.664) 4.885 15.723 ( 0.000 -4.058 1.488) 4.322 15.892 ( 0.000 4.493 -0.618) 4.535 16.053 ( 0.000 -3.651 2.042) 4.183 16.225 ( 0.000 4.481 -5.964) 7.460 16.359 ( 0.000 -2.278 -1.286) 2.616 16.824 ( 0.000 -16.202 -6.588) 17.490 22.719 ( 0.000 5.268 5.879) 7.894 23.112 ( 0.000 9.186 -14.458) 17.129 23.534 ( 0.000 3.428 -1.635) 3.798 24.500 ( 0.000 -7.392 0.464) 7.406 ======================= Grid point 73 (27/120) ======================= q-point: ( 0.11 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 18.443 13.923 13.971) 27.004 1.216 ( 17.228 18.215 16.019) 29.752 1.933 ( 25.125 25.047 20.066) 40.759 2.450 ( 1.642 -3.906 1.193) 4.402 2.665 ( -0.492 -5.716 -1.934) 6.054 2.683 ( 0.954 -2.457 -5.314) 5.932 2.755 ( -3.418 1.203 -2.853) 4.612 2.840 ( 1.692 -5.035 -6.224) 8.183 2.972 ( -6.488 4.097 -6.518) 10.068 3.042 ( 0.281 -8.039 -6.425) 10.295 3.151 ( -7.366 -1.438 2.089) 7.790 3.608 ( -4.945 -5.315 -0.773) 7.300 3.772 ( 19.261 15.647 -9.345) 26.517 4.462 ( 12.616 1.133 13.134) 18.247 4.724 ( 14.873 13.451 11.743) 23.239 4.914 ( 7.240 38.765 10.745) 40.873 5.300 ( 14.584 30.228 20.563) 39.360 5.360 ( 17.685 5.221 17.765) 25.605 5.615 ( 8.899 6.198 14.128) 17.810 5.962 ( 24.612 -3.223 19.916) 31.824 6.625 ( 6.596 0.246 19.545) 20.630 6.680 ( 9.385 14.928 5.401) 18.442 6.841 ( 19.224 4.017 19.712) 27.825 7.205 ( 0.614 6.477 5.976) 8.834 8.180 ( 4.924 -8.732 5.246) 11.314 8.449 ( -1.417 -9.965 2.512) 10.374 8.556 ( 29.596 3.560 3.865) 30.059 9.046 ( -2.867 -3.313 -16.655) 17.222 9.202 ( 4.129 10.271 9.585) 14.643 9.419 ( -1.336 0.262 6.320) 6.465 9.664 ( -11.194 -6.247 7.346) 14.775 10.009 ( -11.655 7.989 0.552) 14.141 10.338 ( 4.168 0.989 -12.890) 13.583 11.053 ( -3.402 -8.506 -0.655) 9.184 11.109 ( -4.679 2.359 -2.716) 5.902 11.267 ( 3.632 1.096 3.858) 5.410 12.095 ( 9.628 -5.792 -8.203) 13.912 12.314 ( -13.658 -11.792 -14.163) 22.938 12.895 ( 0.214 -6.849 -6.352) 9.343 13.114 ( -3.079 -5.818 -9.534) 11.585 13.635 ( -18.379 1.750 -13.937) 23.133 13.817 ( -4.078 -8.104 -5.173) 10.444 13.945 ( -7.842 -6.172 -18.571) 21.083 14.088 ( -3.434 -6.259 -9.367) 11.777 14.258 ( 3.623 8.981 10.444) 14.243 14.669 ( 11.555 11.940 5.712) 17.570 14.742 ( -4.694 2.325 20.366) 21.029 15.056 ( 1.461 6.092 -3.146) 7.010 15.417 ( 11.865 -4.833 17.495) 21.684 15.584 ( -0.063 4.413 4.094) 6.020 15.772 ( 0.512 -4.240 -2.386) 4.892 15.930 ( 2.222 -1.181 -0.917) 2.678 16.095 ( 3.374 -3.200 2.621) 5.338 16.227 ( -0.100 1.633 -5.539) 5.776 16.352 ( -1.136 -2.653 -2.154) 3.601 16.759 ( -6.026 -15.170 -6.034) 17.402 22.778 ( 5.961 3.933 5.865) 9.242 23.115 ( 0.380 2.320 -2.752) 3.619 23.507 ( -2.498 3.624 -3.225) 5.456 24.499 ( -0.404 -7.443 -0.666) 7.484 ======================= Grid point 74 (28/120) ======================= q-point: ( 0.22 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 17.846 7.391 6.636) 20.424 1.593 ( 19.344 7.446 5.549) 21.457 2.354 ( 9.893 2.168 3.778) 10.810 2.477 ( 0.247 -6.439 0.319) 6.452 2.616 ( -2.810 1.273 -1.929) 3.638 2.678 ( -3.591 -0.149 -2.033) 4.129 2.693 ( 0.275 3.913 3.097) 4.998 2.817 ( -5.140 -3.901 -4.599) 7.924 2.857 ( -4.449 0.016 -4.247) 6.151 2.987 ( -1.151 2.279 -2.087) 3.298 3.108 ( 1.804 -10.216 -1.129) 10.435 3.463 ( -7.735 -4.014 0.995) 8.772 4.405 ( 33.539 20.726 -30.449) 49.816 4.964 ( 7.416 44.363 3.510) 45.115 5.064 ( 28.151 9.592 -8.864) 31.033 5.268 ( 36.874 6.586 -20.363) 42.635 5.680 ( 20.199 18.108 6.055) 27.795 5.765 ( 26.237 10.662 10.206) 30.103 6.044 ( 33.703 5.987 8.125) 35.182 6.429 ( 18.553 -0.057 12.599) 22.427 6.808 ( 10.836 -0.525 11.094) 15.517 6.888 ( 10.751 20.326 6.584) 23.919 7.228 ( 5.888 7.703 5.248) 11.025 7.469 ( 35.623 0.844 27.658) 45.107 8.118 ( -6.936 -6.804 -1.727) 9.869 8.416 ( -0.994 -11.969 3.437) 12.492 8.959 ( -2.899 -4.094 -9.683) 10.905 9.226 ( -3.127 8.018 -1.337) 8.710 9.400 ( -6.929 -6.367 4.532) 10.444 9.486 ( 4.901 9.560 6.067) 12.338 9.559 ( 39.761 2.814 10.972) 41.343 9.768 ( 0.608 9.853 6.591) 11.870 10.432 ( 4.431 1.838 -10.425) 11.476 10.924 ( -10.461 -7.732 -2.602) 13.266 11.001 ( -5.339 -0.557 -4.726) 7.152 11.344 ( 4.033 1.254 0.008) 4.224 11.815 ( -26.951 -1.701 -33.367) 42.925 12.277 ( 5.520 -8.230 2.359) 10.187 12.790 ( -13.768 -3.879 9.619) 17.238 13.004 ( -8.775 -6.367 -20.461) 23.156 13.144 ( -21.506 -5.789 -6.989) 23.342 13.664 ( -18.855 -3.156 -21.306) 28.626 13.720 ( -7.165 -9.550 1.761) 12.068 14.004 ( -6.195 -4.882 7.536) 10.909 14.460 ( 15.984 3.872 2.020) 16.570 14.793 ( 8.744 2.038 17.311) 19.501 14.928 ( 12.538 10.147 1.891) 16.240 15.125 ( 5.143 6.072 -8.254) 11.465 15.572 ( 2.216 0.021 10.046) 10.287 15.646 ( 5.943 -1.270 14.535) 15.755 15.752 ( -1.573 -0.845 -4.726) 5.052 15.928 ( -2.248 -1.194 -1.276) 2.847 16.157 ( 2.092 -2.761 3.742) 5.100 16.208 ( -2.198 -2.042 -6.125) 6.820 16.302 ( -3.489 -3.646 -4.015) 6.449 16.595 ( -9.278 -11.683 -3.593) 15.345 22.971 ( 12.669 0.684 5.192) 13.709 23.132 ( 1.504 -1.957 3.594) 4.360 23.439 ( -3.848 3.938 -6.528) 8.539 24.467 ( -3.171 -7.441 -3.019) 8.633 ======================= Grid point 75 (29/120) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 13.498 2.276 -0.564) 13.700 1.963 ( 15.598 -0.621 1.189) 15.655 2.396 ( -1.538 -3.721 -1.543) 4.312 2.459 ( -0.641 -6.464 -1.583) 6.686 2.579 ( -3.107 -1.010 -1.939) 3.800 2.611 ( -4.307 2.167 -3.141) 5.754 2.637 ( -2.693 -1.087 -2.532) 3.853 2.699 ( -4.414 3.585 2.515) 6.217 2.808 ( -1.870 -4.739 -5.838) 7.749 2.957 ( -4.020 -3.404 1.802) 5.567 3.150 ( 1.915 -7.830 -0.131) 8.062 3.319 ( -5.821 -3.339 1.238) 6.824 4.866 ( 11.510 35.439 -11.080) 38.874 5.010 ( 1.095 53.652 1.638) 53.688 5.836 ( 40.699 8.996 -14.317) 44.072 6.045 ( 32.532 4.420 -18.716) 37.791 6.140 ( 28.156 1.364 -9.879) 29.870 6.387 ( 30.754 7.371 4.790) 31.985 6.697 ( 13.768 2.297 4.183) 14.571 6.828 ( 24.421 4.945 -6.945) 25.866 7.073 ( 12.654 8.694 -0.712) 15.370 7.112 ( 15.264 2.945 3.850) 16.015 7.467 ( 17.788 15.570 -3.596) 23.911 7.855 ( -8.934 -7.502 -5.612) 12.946 8.132 ( 8.132 -1.677 5.561) 9.993 8.549 ( 19.028 -7.388 9.014) 22.313 8.863 ( -9.013 4.962 -8.216) 13.167 8.939 ( -5.941 1.996 -3.110) 6.996 9.316 ( -12.494 4.737 8.901) 16.055 9.570 ( 11.121 3.816 0.436) 11.766 9.756 ( 9.449 9.044 2.151) 13.255 10.354 ( 3.507 -0.306 -3.675) 5.089 10.441 ( -8.411 -1.676 -14.950) 17.235 10.665 ( -11.009 -3.977 -2.547) 11.980 11.041 ( 17.280 0.103 10.627) 20.286 11.341 ( -5.080 2.160 -18.482) 19.289 11.502 ( 2.901 3.732 -6.923) 8.383 12.175 ( -18.842 -3.485 -8.567) 20.990 12.455 ( -14.232 -1.946 14.387) 20.331 12.705 ( -6.133 -5.794 -12.306) 14.920 13.019 ( -2.356 -10.378 -1.367) 10.730 13.237 ( -18.209 -5.230 -9.127) 21.029 13.510 ( -13.733 -8.890 5.215) 17.171 13.802 ( -13.085 -3.591 13.681) 19.268 14.854 ( 20.878 -2.882 -0.479) 21.082 15.033 ( 13.295 -2.440 11.816) 17.953 15.154 ( 9.227 7.667 -8.877) 14.925 15.276 ( 9.254 5.748 -5.883) 12.380 15.576 ( -2.465 0.087 1.809) 3.059 15.702 ( -1.567 -1.133 11.641) 11.801 15.744 ( 0.632 -0.872 2.997) 3.184 15.864 ( -2.016 1.274 0.862) 2.536 16.085 ( -10.378 -6.674 -8.361) 14.905 16.165 ( -1.625 -1.853 5.176) 5.733 16.251 ( -0.885 -3.257 -4.166) 5.361 16.413 ( -7.519 -5.830 -2.280) 9.784 23.154 ( 2.553 -2.232 0.949) 3.522 23.307 ( 15.128 -1.126 0.397) 15.175 23.363 ( -0.898 3.410 -6.596) 7.479 24.347 ( -8.922 -7.034 -4.478) 12.211 ======================= Grid point 76 (30/120) ======================= q-point: ( 0.44 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 10.332 -3.699 -3.982) 11.674 2.206 ( 6.389 -6.036 -1.401) 8.900 2.349 ( -2.075 -2.870 -3.719) 5.136 2.440 ( -7.577 -3.297 -2.702) 8.694 2.488 ( 2.697 -4.217 -2.813) 5.742 2.534 ( -1.930 1.795 -2.647) 3.735 2.632 ( -0.443 3.429 -0.413) 3.482 2.641 ( -2.017 3.824 -0.309) 4.335 2.772 ( 0.075 -7.882 -1.739) 8.072 2.839 ( -5.795 -7.650 1.054) 9.654 3.184 ( 1.606 -5.428 0.965) 5.742 3.229 ( -3.070 -3.908 1.402) 5.164 4.995 ( 2.841 44.874 -2.810) 45.052 5.021 ( -0.144 51.212 0.015) 51.212 6.447 ( 15.429 0.209 -4.375) 16.039 6.521 ( 12.500 -1.036 -3.492) 13.020 6.702 ( 19.352 5.595 -6.775) 21.253 6.848 ( 8.115 9.291 3.078) 12.714 6.931 ( 12.809 1.025 7.374) 14.815 7.127 ( 2.834 -2.526 1.111) 3.956 7.279 ( 17.778 14.967 -6.425) 24.111 7.535 ( 5.765 5.577 -4.813) 9.354 7.624 ( -4.324 3.615 -8.644) 10.320 7.727 ( 0.063 6.582 -20.370) 21.407 8.006 ( 3.780 4.593 -29.070) 29.673 8.613 ( -24.187 -0.162 -33.014) 40.926 8.928 ( 2.722 1.203 5.312) 6.088 9.031 ( -5.926 -1.985 5.857) 8.565 9.236 ( 35.141 2.695 -20.805) 40.926 9.835 ( 9.361 2.276 0.371) 9.641 10.010 ( -18.404 0.187 -16.417) 24.663 10.063 ( 14.175 1.090 4.586) 14.938 10.176 ( -10.810 2.785 1.463) 11.258 10.461 ( -14.672 -1.628 0.441) 14.768 11.237 ( 7.158 9.573 6.671) 13.688 11.426 ( 0.633 -0.821 3.680) 3.823 11.534 ( -1.690 3.451 2.763) 4.733 11.784 ( -16.727 1.675 -7.166) 18.274 12.480 ( 19.189 -5.986 10.778) 22.808 12.672 ( 0.621 -9.140 -6.775) 11.394 12.801 ( -8.558 -5.199 -10.299) 14.364 13.084 ( -19.573 -5.593 10.228) 22.782 13.269 ( 6.194 -9.093 8.715) 14.035 13.512 ( -13.966 -7.577 12.540) 20.241 15.268 ( 16.464 -3.915 5.493) 17.792 15.289 ( 11.451 -1.569 -8.051) 14.086 15.340 ( 9.744 -1.030 -4.978) 10.991 15.423 ( 0.574 4.427 -12.336) 13.119 15.496 ( -3.430 -3.434 7.255) 8.729 15.623 ( -10.109 -2.532 4.476) 11.342 15.655 ( -0.676 1.569 3.087) 3.529 15.817 ( -12.690 -2.146 -3.299) 13.286 15.950 ( 6.783 0.872 6.394) 9.363 16.088 ( -5.650 -0.462 6.383) 8.537 16.254 ( 1.054 -3.113 -5.192) 6.145 16.300 ( -3.666 -3.265 -4.712) 6.805 23.208 ( 2.929 0.341 -4.510) 5.389 23.275 ( -3.562 2.448 -8.303) 9.360 23.720 ( 19.846 -4.062 -0.615) 20.267 24.093 ( -15.707 -5.945 -3.617) 17.179 ======================= Grid point 81 (31/120) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 0.000 21.902 8.836) 23.618 1.494 ( 0.000 26.598 12.300) 29.305 2.208 ( 0.000 17.258 6.722) 18.521 2.320 ( 0.000 -9.314 -0.197) 9.316 2.590 ( 0.000 0.233 -0.078) 0.246 2.614 ( 0.000 -3.538 -4.162) 5.463 2.750 ( 0.000 -0.626 -4.426) 4.470 2.788 ( 0.000 0.406 -4.897) 4.913 2.986 ( 0.000 1.742 -6.620) 6.845 3.069 ( 0.000 -0.361 -21.985) 21.988 3.134 ( 0.000 -1.750 -1.533) 2.326 3.518 ( 0.000 -7.882 -2.106) 8.158 4.133 ( 0.000 23.796 28.481) 37.114 4.552 ( 0.000 5.095 28.669) 29.118 4.671 ( 0.000 -1.930 44.386) 44.428 4.872 ( 0.000 0.886 43.628) 43.637 5.211 ( 0.000 10.752 6.296) 12.460 5.632 ( 0.000 7.351 28.171) 29.114 5.640 ( 0.000 5.397 5.004) 7.360 6.035 ( 0.000 16.071 31.772) 35.606 6.556 ( 0.000 -0.928 2.027) 2.230 6.644 ( 0.000 3.008 16.829) 17.095 7.156 ( 0.000 55.602 10.047) 56.502 7.365 ( 0.000 15.091 7.665) 16.926 7.942 ( 0.000 1.717 7.593) 7.785 8.237 ( 0.000 -14.973 2.464) 15.174 8.435 ( 0.000 2.111 -0.970) 2.323 9.000 ( 0.000 -4.618 -18.751) 19.311 9.184 ( 0.000 -14.671 3.049) 14.984 9.490 ( 0.000 19.167 13.627) 23.517 9.677 ( 0.000 -6.177 11.177) 12.770 10.186 ( 0.000 -0.590 -2.867) 2.927 10.301 ( 0.000 0.445 -14.932) 14.939 10.944 ( 0.000 -10.041 1.495) 10.152 10.983 ( 0.000 -9.696 13.184) 16.365 11.471 ( 0.000 15.660 -6.658) 17.017 11.896 ( 0.000 -10.746 -5.181) 11.930 12.170 ( 0.000 -11.302 2.303) 11.534 12.740 ( 0.000 -22.802 -3.405) 23.055 12.817 ( 0.000 -9.018 -9.838) 13.346 13.740 ( 0.000 -5.334 -8.598) 10.118 13.881 ( 0.000 2.181 -16.686) 16.828 13.980 ( 0.000 1.231 -17.597) 17.640 14.038 ( 0.000 -4.803 -19.041) 19.638 14.386 ( 0.000 8.358 10.980) 13.800 14.823 ( 0.000 13.652 9.444) 16.600 14.977 ( 0.000 13.837 7.998) 15.982 15.154 ( 0.000 -2.149 12.252) 12.439 15.192 ( 0.000 8.933 -1.038) 8.993 15.592 ( 0.000 -5.531 -0.391) 5.545 15.739 ( 0.000 6.969 3.963) 8.017 15.938 ( 0.000 -8.695 2.258) 8.983 15.986 ( 0.000 5.368 -0.568) 5.398 16.206 ( 0.000 -4.748 -0.300) 4.757 16.297 ( 0.000 -4.204 -1.025) 4.328 16.411 ( 0.000 -25.633 -3.994) 25.943 22.850 ( 0.000 7.862 2.440) 8.232 23.181 ( 0.000 -0.602 -11.312) 11.328 23.635 ( 0.000 7.314 -1.214) 7.414 24.306 ( 0.000 -12.398 0.156) 12.399 ======================= Grid point 82 (32/120) ======================= q-point: ( 0.11 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 10.661 18.378 5.847) 22.037 1.616 ( 9.784 21.966 9.993) 26.040 2.283 ( 5.448 8.326 2.164) 10.183 2.338 ( 1.172 -8.337 -0.110) 8.420 2.623 ( 2.832 -1.526 2.672) 4.182 2.627 ( 0.482 -3.312 -4.177) 5.352 2.748 ( -3.194 -0.929 -4.639) 5.708 2.824 ( 3.474 1.562 -4.027) 5.543 2.959 ( -1.434 0.288 -7.892) 8.027 3.015 ( -4.050 1.277 -8.320) 9.341 3.139 ( -3.100 0.585 -3.436) 4.664 3.490 ( -3.937 -6.919 -0.205) 7.963 4.075 ( 13.949 15.184 -0.796) 20.634 4.473 ( 10.754 -0.492 9.125) 14.112 5.033 ( 22.654 19.456 16.710) 34.220 5.302 ( 24.504 10.544 24.293) 36.080 5.466 ( 20.686 5.519 19.979) 29.284 5.708 ( 12.699 8.712 12.834) 20.047 5.869 ( 14.300 4.617 15.392) 21.511 6.159 ( 12.930 13.548 31.023) 36.237 6.653 ( 10.200 1.984 2.925) 10.795 6.933 ( 22.283 5.899 18.979) 29.858 7.219 ( 6.834 48.614 12.022) 50.542 7.367 ( 1.145 13.576 8.583) 16.103 8.078 ( 2.671 -1.143 4.744) 5.564 8.219 ( -0.967 -11.309 5.332) 12.541 8.587 ( 21.805 -1.736 1.999) 21.965 8.996 ( 2.519 -0.620 -14.235) 14.469 9.240 ( 4.733 -7.958 2.263) 9.531 9.539 ( 0.804 5.701 10.468) 11.947 9.611 ( -1.440 8.862 6.948) 11.353 10.114 ( -6.817 2.863 -0.113) 7.394 10.356 ( 4.717 0.371 -14.303) 15.065 10.850 ( -5.145 -10.464 0.507) 11.671 11.049 ( 0.940 -7.259 6.808) 9.996 11.427 ( -2.421 12.717 -4.568) 13.728 11.928 ( 2.064 -15.030 -5.314) 16.074 12.098 ( -8.846 -12.531 -6.478) 16.650 12.693 ( -1.062 -15.364 -3.632) 15.823 12.858 ( -0.577 -13.981 1.173) 14.042 13.658 ( -13.020 -0.400 -10.948) 17.016 13.711 ( -16.629 -1.779 -17.315) 24.072 13.794 ( -7.375 -6.591 -15.292) 18.212 13.954 ( -7.485 -7.188 -16.250) 19.281 14.455 ( 5.928 12.241 10.119) 16.952 14.925 ( 3.325 13.798 8.620) 16.606 14.965 ( 4.725 16.496 7.348) 18.666 15.200 ( 2.136 8.705 -2.404) 9.280 15.303 ( 10.069 -5.282 14.123) 18.132 15.627 ( 2.355 -4.851 -1.028) 5.489 15.730 ( -0.422 4.914 4.167) 6.457 15.938 ( 0.106 -2.968 -1.002) 3.135 16.027 ( 3.131 -0.375 2.093) 3.785 16.185 ( -2.218 -5.919 -1.563) 6.511 16.259 ( -3.665 -9.418 -1.422) 10.206 16.397 ( -1.025 -18.187 -3.031) 18.467 22.878 ( 3.086 6.067 2.839) 7.375 23.129 ( -3.523 -0.878 -4.955) 6.143 23.614 ( -2.057 7.645 -2.757) 8.383 24.303 ( -0.548 -12.558 -1.059) 12.615 ======================= Grid point 83 (33/120) ======================= q-point: ( 0.22 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 13.242 11.305 1.906) 17.515 1.822 ( 9.364 14.730 5.189) 18.210 2.340 ( -0.451 -6.225 -0.700) 6.280 2.360 ( 0.864 -2.144 -0.106) 2.314 2.609 ( -2.320 -2.181 -4.034) 5.139 2.644 ( -2.837 -2.067 -4.326) 5.571 2.694 ( -1.066 -4.677 -0.362) 4.811 2.768 ( -6.055 -2.756 -0.634) 6.683 2.897 ( -5.808 2.478 -7.119) 9.516 3.012 ( 2.051 0.450 0.045) 2.101 3.051 ( -2.811 4.259 0.761) 5.160 3.368 ( -6.746 -5.593 1.099) 8.831 4.737 ( 42.972 13.025 -34.807) 56.814 5.068 ( 41.320 -1.306 -25.941) 48.805 5.520 ( 21.757 22.828 2.879) 31.667 5.711 ( 18.530 17.640 5.531) 26.175 5.923 ( 21.091 8.517 15.623) 27.594 6.069 ( 19.901 14.114 2.979) 24.579 6.230 ( 25.335 7.368 13.581) 29.674 6.515 ( 17.457 0.779 17.734) 24.897 6.967 ( 17.648 20.225 3.329) 27.048 7.236 ( 3.895 13.643 4.079) 14.762 7.473 ( 19.563 21.298 20.630) 35.524 7.570 ( 19.348 10.183 19.510) 29.303 8.044 ( -0.579 2.616 5.456) 6.079 8.167 ( -3.121 -8.385 7.380) 11.598 8.850 ( 1.167 -7.607 -8.340) 11.348 9.270 ( -8.044 -6.384 7.808) 12.901 9.436 ( 12.576 11.956 -6.878) 18.666 9.584 ( 31.847 2.711 2.372) 32.050 9.752 ( 7.801 14.499 4.607) 17.096 9.960 ( -1.339 10.617 6.106) 12.321 10.472 ( 5.829 1.295 -11.120) 12.622 10.717 ( -9.138 -11.622 -9.143) 17.383 10.967 ( -7.900 -3.259 -3.668) 9.300 11.428 ( 2.344 6.241 2.021) 6.966 11.773 ( -16.959 -2.411 -23.110) 28.766 12.004 ( 1.962 -22.500 4.142) 22.962 12.671 ( -5.882 -10.253 8.489) 14.553 12.743 ( -6.571 -15.043 3.276) 16.739 13.131 ( -27.820 2.795 -18.615) 33.590 13.512 ( -10.123 -10.569 -11.431) 18.570 13.584 ( -15.242 -5.865 -15.391) 22.441 13.776 ( -8.576 -14.122 -4.271) 17.066 14.617 ( 9.971 11.527 7.605) 17.033 14.948 ( 2.697 13.110 12.554) 18.351 15.161 ( 10.004 12.458 2.357) 16.150 15.272 ( 4.958 8.811 -6.352) 11.940 15.471 ( 5.006 -7.567 14.731) 17.301 15.674 ( 2.322 -3.436 -0.550) 4.183 15.731 ( 0.578 3.786 3.277) 5.041 15.929 ( -1.504 -0.160 -2.506) 2.927 16.075 ( -4.635 -11.404 -0.531) 12.321 16.094 ( -0.883 -5.284 0.432) 5.375 16.193 ( -2.029 -6.674 -0.979) 7.044 16.366 ( -2.296 -9.539 -2.674) 10.169 22.992 ( 7.967 1.572 3.028) 8.667 23.096 ( 1.374 -1.693 1.233) 2.505 23.554 ( -3.617 8.189 -6.054) 10.807 24.270 ( -3.037 -12.701 -3.614) 13.550 ======================= Grid point 84 (34/120) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 6.991 6.261 0.889) 9.427 2.004 ( 9.010 4.759 -0.868) 10.227 2.318 ( -0.655 -6.640 -0.349) 6.682 2.345 ( -2.102 -2.476 -1.503) 3.579 2.530 ( -5.876 -3.208 -4.113) 7.858 2.597 ( -1.853 -3.565 -5.318) 6.665 2.610 ( -2.847 -1.291 -1.997) 3.709 2.697 ( -2.491 -6.217 2.162) 7.038 2.788 ( -4.438 3.889 -5.651) 8.170 2.943 ( -5.764 3.384 0.522) 6.704 3.066 ( 1.226 -3.041 0.491) 3.315 3.239 ( -5.454 -4.887 0.818) 7.369 5.490 ( 23.347 25.778 -19.327) 39.789 5.822 ( 15.246 17.986 -4.279) 23.963 6.027 ( 33.253 13.530 -14.838) 38.846 6.141 ( 31.878 7.050 -18.568) 37.559 6.274 ( 14.589 9.935 4.852) 18.305 6.531 ( 24.606 7.796 -1.991) 25.889 6.812 ( 21.911 6.122 3.016) 22.949 6.872 ( 18.729 -1.385 0.923) 18.803 7.255 ( 6.380 11.313 -3.771) 13.524 7.313 ( 11.501 17.346 -6.501) 21.804 7.750 ( 1.565 2.043 -1.176) 2.829 7.967 ( 15.909 30.668 11.719) 36.482 8.095 ( 4.364 1.244 9.454) 10.486 8.371 ( 25.270 -8.852 17.849) 32.179 8.899 ( 5.710 0.913 1.210) 5.908 9.021 ( -11.613 1.869 -5.000) 12.781 9.469 ( -12.749 13.256 -4.330) 18.894 9.741 ( 8.261 13.204 -2.283) 15.742 9.960 ( 6.500 12.538 -2.891) 14.416 10.352 ( 2.831 -0.091 -4.205) 5.070 10.396 ( -14.124 -2.586 -14.958) 20.734 10.582 ( -2.759 -4.166 -5.184) 7.200 10.958 ( 18.803 -8.078 0.371) 20.468 11.480 ( -2.790 10.464 -2.053) 11.023 11.565 ( 5.595 2.931 -5.047) 8.085 11.979 ( -7.519 -20.303 -0.080) 21.650 12.366 ( -15.191 -5.537 7.849) 17.973 12.663 ( -15.625 1.365 -5.701) 16.688 12.747 ( 3.145 -16.167 1.349) 16.525 13.136 ( -22.519 -5.312 -14.173) 27.133 13.300 ( -14.000 -11.897 -2.279) 18.513 13.570 ( -12.687 -19.307 5.228) 23.687 14.859 ( 13.217 4.497 5.175) 14.889 15.051 ( 7.083 4.724 10.910) 13.838 15.335 ( 7.134 10.105 -7.974) 14.718 15.389 ( 4.426 1.985 -1.990) 5.243 15.510 ( 0.030 -2.694 7.379) 7.856 15.677 ( -2.902 -5.313 -0.663) 6.090 15.766 ( 0.607 5.755 4.730) 7.474 15.861 ( -3.362 -6.270 -0.800) 7.159 15.936 ( -4.289 -3.302 -1.988) 5.766 16.109 ( -0.551 -3.332 4.670) 5.763 16.166 ( -0.560 -5.513 -3.091) 6.345 16.300 ( -3.892 -5.651 -3.575) 7.737 23.122 ( 4.840 -0.588 0.239) 4.881 23.269 ( 14.350 -2.905 1.039) 14.678 23.469 ( -4.556 7.769 -8.137) 12.138 24.160 ( -8.025 -12.121 -5.281) 15.466 ======================= Grid point 85 (35/120) ======================= q-point: ( 0.44 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 4.429 -1.450 -1.848) 5.013 2.121 ( 0.513 -2.496 -1.738) 3.084 2.302 ( -0.015 -3.595 -1.760) 4.003 2.331 ( -0.140 -7.811 0.509) 7.829 2.434 ( -0.799 0.028 -5.916) 5.970 2.506 ( -5.240 -3.149 -3.581) 7.085 2.632 ( 2.311 -2.334 -2.353) 4.040 2.664 ( -0.963 -3.910 -0.344) 4.041 2.734 ( 0.150 5.328 -2.447) 5.865 2.811 ( -6.283 4.651 -0.703) 7.848 3.096 ( 1.906 -4.639 0.578) 5.048 3.149 ( -3.370 -4.749 0.669) 5.861 5.786 ( 8.934 32.566 -3.376) 33.937 5.900 ( -2.087 33.399 1.812) 33.513 6.457 ( 9.075 -0.900 -2.085) 9.354 6.498 ( 5.509 -0.745 -1.301) 5.709 6.809 ( 23.326 5.019 -0.281) 23.861 6.977 ( 13.255 6.993 -7.641) 16.822 7.069 ( 1.013 -0.256 1.613) 1.922 7.098 ( -0.693 6.728 7.332) 9.975 7.524 ( 23.469 7.250 -21.640) 32.736 7.682 ( 24.165 5.156 -29.015) 38.111 7.785 ( 1.007 19.233 -4.635) 19.809 8.021 ( -2.157 24.432 -5.792) 25.202 8.162 ( -3.244 12.042 -18.458) 22.277 8.613 ( -17.187 1.313 -22.301) 28.186 8.935 ( 3.477 -2.018 -1.109) 4.171 8.979 ( -3.904 -2.219 2.493) 5.136 9.392 ( 21.583 14.553 -2.720) 26.173 9.890 ( -8.992 4.333 -8.052) 12.824 10.066 ( 8.628 3.404 3.179) 9.805 10.087 ( -4.063 4.576 -1.033) 6.206 10.263 ( -2.436 7.281 -1.328) 7.791 10.420 ( -13.468 -2.335 0.686) 13.687 11.358 ( 11.241 -7.899 -4.935) 14.599 11.487 ( 4.224 14.153 3.342) 15.143 11.599 ( -5.835 0.951 4.679) 7.540 11.794 ( -9.757 -0.055 2.968) 10.198 12.309 ( 11.293 -10.163 -0.524) 15.202 12.502 ( -3.489 -6.772 0.535) 7.637 12.690 ( -5.445 -5.856 -9.053) 12.079 12.929 ( -6.723 -10.399 4.436) 13.154 12.991 ( -2.336 -19.004 5.348) 19.880 13.258 ( -16.324 -19.278 9.409) 26.957 15.140 ( 13.215 -4.725 1.109) 14.078 15.219 ( 8.561 -2.891 9.949) 13.439 15.361 ( -5.478 -8.383 2.281) 10.270 15.452 ( -9.309 -6.118 -0.290) 11.143 15.475 ( 6.262 8.358 -9.494) 14.114 15.583 ( -3.859 5.413 -3.065) 7.320 15.742 ( 1.562 5.375 0.452) 5.616 15.815 ( -3.976 0.672 -0.345) 4.047 15.960 ( 5.269 0.280 5.339) 7.506 16.062 ( -3.941 -2.113 5.075) 6.765 16.173 ( 1.265 -5.118 -4.393) 6.862 16.221 ( -3.397 -4.770 -4.742) 7.535 23.234 ( 5.923 2.741 -4.316) 7.825 23.355 ( -5.563 6.049 -8.003) 11.471 23.611 ( 16.888 -7.135 -1.609) 18.404 23.934 ( -13.818 -10.300 -4.552) 17.825 ======================= Grid point 90 (36/120) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.000 19.362 2.702) 19.549 1.958 ( 0.000 21.030 7.203) 22.229 2.083 ( 0.000 -14.750 0.321) 14.753 2.282 ( 0.000 -9.283 2.819) 9.702 2.509 ( 0.000 -1.516 0.131) 1.521 2.546 ( 0.000 -3.427 -3.463) 4.872 2.828 ( 0.000 3.035 -3.015) 4.278 2.849 ( 0.000 3.378 -5.625) 6.561 3.007 ( 0.000 1.013 -12.450) 12.491 3.048 ( 0.000 -1.971 -19.449) 19.549 3.184 ( 0.000 7.130 -0.611) 7.156 3.351 ( 0.000 -9.331 -1.158) 9.403 4.494 ( 0.000 11.323 31.153) 33.146 4.617 ( 0.000 -3.855 36.800) 37.002 4.683 ( 0.000 9.091 37.489) 38.575 4.832 ( 0.000 -5.149 41.770) 42.086 5.459 ( 0.000 13.843 3.508) 14.280 5.655 ( 0.000 -4.899 3.285) 5.899 5.826 ( 0.000 11.879 24.339) 27.083 6.036 ( 0.000 -8.547 28.914) 30.151 6.574 ( 0.000 3.111 13.883) 14.228 6.644 ( 0.000 -2.833 20.275) 20.472 7.581 ( 0.000 15.061 3.388) 15.437 7.886 ( 0.000 -15.337 0.828) 15.359 8.076 ( 0.000 6.083 8.094) 10.125 8.151 ( 0.000 10.420 -5.755) 11.904 8.699 ( 0.000 32.422 16.503) 36.381 8.912 ( 0.000 -4.522 -13.800) 14.522 9.033 ( 0.000 8.255 -4.581) 9.441 9.492 ( 0.000 -16.991 13.631) 21.783 9.904 ( 0.000 21.933 10.279) 24.222 10.130 ( 0.000 -4.699 -3.900) 6.107 10.343 ( 0.000 8.107 -11.478) 14.052 10.710 ( 0.000 -17.153 -0.281) 17.155 10.892 ( 0.000 2.613 13.096) 13.354 11.277 ( 0.000 -41.293 9.423) 42.355 11.761 ( 0.000 14.093 -5.460) 15.114 11.987 ( 0.000 -9.446 -4.461) 10.447 12.550 ( 0.000 0.883 -5.364) 5.436 12.649 ( 0.000 -7.938 -7.678) 11.043 13.732 ( 0.000 3.857 -16.825) 17.262 13.841 ( 0.000 -5.970 -22.454) 23.234 14.000 ( 0.000 0.558 -13.757) 13.768 14.005 ( 0.000 0.594 -16.965) 16.976 14.582 ( 0.000 11.948 13.156) 17.772 14.810 ( 0.000 -10.517 15.550) 18.772 15.258 ( 0.000 12.950 2.070) 13.114 15.355 ( 0.000 17.559 1.913) 17.663 15.421 ( 0.000 15.486 -1.304) 15.541 15.455 ( 0.000 -8.484 0.012) 8.484 15.723 ( 0.000 -12.660 3.539) 13.145 15.851 ( 0.000 -9.091 -0.421) 9.101 15.955 ( 0.000 -7.233 3.603) 8.081 16.079 ( 0.000 -7.989 2.552) 8.387 16.094 ( 0.000 5.844 -0.658) 5.881 16.203 ( 0.000 -5.489 -0.773) 5.543 23.000 ( 0.000 7.511 -1.811) 7.726 23.123 ( 0.000 -5.060 -6.347) 8.117 23.813 ( 0.000 11.213 -0.758) 11.238 24.053 ( 0.000 -13.527 -0.300) 13.530 ======================= Grid point 91 (37/120) ======================= q-point: ( 0.11 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 6.081 17.478 1.211) 18.545 2.007 ( 4.295 17.427 6.003) 18.925 2.127 ( 3.348 -12.645 0.056) 13.081 2.288 ( 0.896 -8.121 2.634) 8.584 2.538 ( 2.038 -1.912 -0.720) 2.886 2.571 ( 1.426 -3.520 -3.465) 5.141 2.769 ( -4.989 2.704 -2.993) 6.416 2.826 ( -4.202 -2.397 -2.900) 5.640 3.005 ( 0.024 3.172 -12.117) 12.526 3.039 ( -1.407 0.060 -12.108) 12.189 3.202 ( 0.022 6.336 -1.171) 6.443 3.346 ( -1.819 -7.988 0.033) 8.192 4.307 ( 9.229 8.978 3.445) 13.328 4.430 ( 8.953 -4.177 6.024) 11.571 5.354 ( 34.405 9.618 29.576) 46.378 5.416 ( 33.253 1.443 31.419) 45.771 5.635 ( 15.476 13.413 5.425) 21.186 5.817 ( 15.768 -1.051 6.635) 17.139 5.952 ( 11.088 7.105 19.254) 23.327 6.135 ( 9.259 -8.951 23.705) 26.977 6.719 ( 14.238 6.404 18.662) 24.331 6.885 ( 20.544 -8.607 24.538) 33.140 7.579 ( -0.386 14.366 4.050) 14.931 7.874 ( -1.709 -15.706 2.390) 15.979 8.104 ( 3.245 19.838 -2.795) 20.295 8.383 ( 18.662 -5.546 2.765) 19.664 8.649 ( -3.102 35.249 11.581) 37.232 9.029 ( 10.987 -5.248 -0.661) 12.194 9.123 ( 10.055 8.077 -4.899) 13.796 9.445 ( -1.582 -11.954 10.817) 16.199 9.972 ( 5.014 18.747 3.488) 19.717 10.143 ( 1.305 -0.427 -2.150) 2.551 10.371 ( 2.485 7.644 -11.195) 13.782 10.697 ( -1.356 -9.100 -1.119) 9.268 10.918 ( 1.589 -2.521 10.600) 11.011 11.266 ( -0.992 -40.501 6.831) 41.085 11.705 ( -4.479 11.108 -5.633) 13.236 11.903 ( -7.767 -9.065 -9.647) 15.348 12.540 ( -1.166 1.038 -1.469) 2.144 12.651 ( -0.997 -8.941 -0.191) 8.999 13.662 ( -9.535 1.890 -15.352) 18.171 13.701 ( -17.296 -1.379 -16.068) 23.648 13.741 ( -16.728 1.184 -18.327) 24.841 13.819 ( -10.474 -6.442 -15.994) 20.175 14.715 ( 8.968 14.389 10.278) 19.827 14.967 ( 10.673 -10.303 12.595) 19.460 15.270 ( 0.646 14.669 3.815) 15.170 15.403 ( 4.270 14.912 1.573) 15.591 15.408 ( -0.100 12.456 -1.319) 12.526 15.488 ( 2.532 -8.243 -0.217) 8.626 15.735 ( 0.949 -10.453 3.504) 11.065 15.823 ( -2.609 -16.126 0.239) 16.338 15.937 ( -1.099 0.947 3.762) 4.032 16.074 ( -0.500 -7.947 2.066) 8.227 16.103 ( 0.710 5.443 -0.808) 5.548 16.216 ( 0.907 -6.192 -1.558) 6.450 22.993 ( -0.092 5.687 -0.552) 5.715 23.085 ( -2.721 -3.701 -3.453) 5.747 23.798 ( -1.467 11.587 -2.228) 11.890 24.045 ( -0.907 -13.829 -1.644) 13.956 ======================= Grid point 92 (38/120) ======================= q-point: ( 0.22 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 7.261 12.192 -0.458) 14.197 2.094 ( 2.989 10.531 3.106) 11.379 2.194 ( 2.970 -6.496 0.996) 7.212 2.309 ( 0.293 -5.506 2.174) 5.927 2.554 ( -1.500 -2.342 -2.403) 3.675 2.569 ( -1.406 -4.266 -2.103) 4.959 2.650 ( -5.503 0.832 -4.299) 7.032 2.695 ( -7.212 -3.703 -2.327) 8.434 2.960 ( -3.860 3.701 -7.887) 9.529 3.014 ( -1.261 -1.488 -4.707) 5.095 3.147 ( -4.583 5.579 2.127) 7.527 3.257 ( -5.769 -5.903 1.989) 8.490 4.917 ( 43.831 6.778 -34.315) 56.077 5.017 ( 42.728 -3.915 -31.526) 53.244 5.896 ( 18.798 9.162 15.288) 25.904 5.968 ( 16.418 5.608 10.468) 20.263 6.026 ( 22.612 12.770 3.121) 26.155 6.237 ( 19.534 0.432 2.983) 19.765 6.344 ( 29.467 4.699 16.643) 34.167 6.413 ( 18.582 -5.681 14.514) 24.253 7.133 ( 23.924 4.434 21.515) 32.479 7.292 ( 14.227 -9.514 17.295) 24.332 7.582 ( 3.287 9.868 7.879) 13.049 7.833 ( -0.047 -14.596 7.120) 16.240 8.220 ( 8.389 28.141 -1.299) 29.394 8.550 ( -1.203 6.430 -0.576) 6.567 8.738 ( 9.369 17.185 13.301) 23.664 9.127 ( -3.509 -10.783 11.215) 15.949 9.616 ( 27.435 5.442 -1.239) 27.997 9.637 ( 27.403 2.358 0.165) 27.504 10.022 ( -1.705 13.439 -8.053) 15.760 10.202 ( 4.407 6.038 -0.186) 7.478 10.435 ( 3.303 6.781 -11.167) 13.476 10.632 ( -5.672 1.049 -6.642) 8.797 10.888 ( -5.798 -2.848 1.924) 6.740 11.264 ( 1.746 -38.950 3.673) 39.162 11.628 ( -2.021 2.737 -2.292) 4.103 11.720 ( -7.799 -4.011 -11.937) 14.812 12.486 ( -4.274 -2.771 5.213) 7.288 12.555 ( -9.163 -7.663 10.797) 16.101 13.215 ( -23.688 5.661 -15.607) 28.927 13.339 ( -16.210 -7.415 -12.391) 21.709 13.501 ( -14.047 -1.165 -16.433) 21.650 13.566 ( -15.165 -7.608 -14.286) 22.180 14.875 ( 6.625 14.954 7.872) 18.151 15.140 ( 5.208 -8.332 9.328) 13.548 15.267 ( -0.718 12.112 10.288) 15.908 15.441 ( 3.264 9.591 -5.312) 11.439 15.493 ( 2.333 2.110 0.624) 3.207 15.551 ( 4.065 -3.627 -0.098) 5.449 15.721 ( -1.900 -9.596 2.901) 10.203 15.808 ( 2.193 -10.831 3.392) 11.560 15.920 ( -0.748 5.254 1.557) 5.531 16.059 ( -0.909 -7.572 0.968) 7.687 16.114 ( 0.204 4.767 -0.913) 4.858 16.225 ( -0.335 -6.387 -2.588) 6.900 23.028 ( 3.891 2.025 1.025) 4.504 23.065 ( 2.006 -1.765 0.375) 2.698 23.750 ( -3.297 12.196 -5.378) 13.731 24.007 ( -3.051 -14.254 -4.498) 15.255 ======================= Grid point 93 (39/120) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 2.248 5.870 1.980) 6.591 2.116 ( 0.529 5.091 -1.254) 5.270 2.218 ( -1.307 -2.608 3.097) 4.254 2.283 ( -2.860 -4.980 0.100) 5.743 2.490 ( -3.166 -0.207 -4.105) 5.188 2.526 ( -1.729 -3.053 -1.770) 3.929 2.578 ( -2.586 -1.488 -2.568) 3.937 2.594 ( -1.003 -3.287 -3.522) 4.921 2.884 ( -3.000 5.649 -5.701) 8.568 2.987 ( -0.916 -4.604 -2.850) 5.492 3.038 ( -5.700 5.005 0.872) 7.635 3.140 ( -5.320 -5.384 0.990) 7.633 5.805 ( 33.637 8.974 -29.039) 45.335 5.900 ( 35.362 -1.841 -26.982) 44.518 6.220 ( 11.437 6.088 7.373) 14.907 6.288 ( 14.232 0.675 8.623) 16.654 6.447 ( 26.140 12.723 -11.818) 31.382 6.643 ( 23.245 -3.445 -7.577) 24.690 6.808 ( 17.898 4.745 -0.108) 18.516 6.911 ( 20.169 -0.901 1.433) 20.239 7.370 ( -0.063 3.305 -0.058) 3.306 7.428 ( 2.177 -2.562 -0.792) 3.454 7.886 ( 21.892 6.858 4.403) 23.359 8.061 ( 20.667 -9.875 8.806) 24.539 8.474 ( 17.066 19.216 11.152) 28.015 8.523 ( -1.308 15.915 3.419) 16.330 8.933 ( 9.828 2.813 14.992) 18.145 8.996 ( -8.118 -2.939 7.415) 11.381 9.794 ( -12.069 18.158 -16.142) 27.128 9.979 ( 1.339 4.613 -13.954) 14.757 10.204 ( 6.135 9.837 -2.420) 11.844 10.329 ( 10.418 -1.192 -1.419) 10.581 10.453 ( -1.988 10.801 -9.110) 14.269 10.545 ( 0.504 1.621 -9.891) 10.036 10.792 ( 4.282 -2.578 2.729) 5.695 11.312 ( 0.857 -39.198 3.319) 39.347 11.664 ( 3.280 5.801 -4.847) 8.240 11.682 ( 9.026 2.333 3.400) 9.924 12.293 ( -13.386 -1.336 10.182) 16.871 12.402 ( -3.028 -13.939 8.965) 16.847 12.807 ( -15.612 10.483 -8.780) 20.754 13.019 ( -16.389 -8.786 -10.533) 21.372 13.130 ( -20.407 -3.457 -8.285) 22.294 13.216 ( -18.093 -13.526 -8.979) 24.310 15.002 ( 6.099 9.851 7.021) 13.548 15.186 ( 0.441 1.446 7.199) 7.356 15.249 ( -1.260 -2.488 9.552) 9.951 15.443 ( -5.788 -11.263 5.241) 13.705 15.530 ( 5.153 9.114 -8.485) 13.476 15.655 ( 5.074 1.159 -1.901) 5.541 15.733 ( 2.182 -0.054 0.943) 2.378 15.868 ( 2.082 -7.030 1.404) 7.465 15.900 ( -0.211 7.508 0.944) 7.570 16.041 ( -0.512 -6.937 -0.994) 7.026 16.105 ( -1.152 3.090 0.231) 3.306 16.195 ( -2.562 -5.433 -2.869) 6.657 23.140 ( 7.282 2.409 -0.234) 7.674 23.202 ( 10.640 -3.730 0.196) 11.277 23.658 ( -5.798 11.867 -7.581) 15.229 23.907 ( -6.903 -13.782 -6.447) 16.708 ======================= Grid point 94 (40/120) ======================= q-point: ( 0.44 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.406 3.180 1.132) 3.400 2.113 ( -2.085 1.531 0.206) 2.595 2.178 ( -1.084 -6.078 2.284) 6.583 2.205 ( -3.544 -6.477 1.127) 7.468 2.472 ( 1.658 3.892 -5.523) 6.957 2.514 ( -1.370 2.859 -4.268) 5.316 2.564 ( 1.281 -4.512 -2.866) 5.497 2.588 ( -0.526 -3.872 -3.070) 4.969 2.859 ( 1.024 7.148 -3.094) 7.856 2.925 ( -4.901 6.459 -0.558) 8.127 2.991 ( 1.430 -6.408 -1.666) 6.773 3.046 ( -3.762 -6.030 -0.192) 7.110 6.206 ( 10.224 13.527 -2.613) 17.156 6.289 ( 3.648 10.506 4.393) 11.957 6.396 ( 7.167 -4.508 -1.546) 8.607 6.455 ( 2.330 -4.662 6.224) 8.118 6.930 ( 13.630 7.332 -2.996) 15.764 7.038 ( 6.112 -3.011 -3.960) 7.881 7.072 ( 4.628 3.244 -7.255) 9.197 7.134 ( -1.475 -2.716 0.692) 3.167 7.642 ( 30.927 5.823 -26.934) 41.423 7.715 ( 34.508 -1.244 -35.916) 49.823 8.136 ( -5.548 12.930 -19.729) 24.232 8.285 ( -9.049 -1.462 -25.351) 26.957 8.514 ( 7.800 20.817 5.266) 22.846 8.767 ( -14.655 9.468 -3.193) 17.737 8.818 ( 7.961 -6.020 4.934) 11.134 8.948 ( -10.235 -3.583 -2.642) 11.161 9.734 ( 14.046 16.434 3.513) 21.902 9.919 ( 8.501 -3.884 0.558) 9.363 10.154 ( -17.630 7.673 3.726) 19.585 10.259 ( -11.803 0.386 4.598) 12.673 10.468 ( 6.630 22.596 -3.718) 23.841 10.571 ( -1.426 25.534 -2.146) 25.663 11.034 ( 11.833 -25.708 -0.856) 28.314 11.236 ( -7.784 -33.265 -0.929) 34.177 11.827 ( 11.089 16.852 3.483) 20.472 11.946 ( 6.130 12.715 6.254) 15.439 12.151 ( 5.876 -6.527 1.508) 8.911 12.358 ( -5.336 -15.407 4.892) 17.023 12.610 ( -1.898 0.380 -3.833) 4.294 12.682 ( -10.440 -3.260 -4.958) 12.009 12.753 ( -13.883 -8.493 -1.541) 16.347 12.860 ( -15.487 -18.536 -2.180) 24.252 15.131 ( 6.097 2.683 6.641) 9.406 15.200 ( 1.232 1.136 7.665) 7.846 15.213 ( -1.647 -5.176 4.721) 7.196 15.305 ( -7.031 -7.659 8.513) 13.438 15.641 ( 5.324 8.074 -8.643) 12.971 15.724 ( -1.120 7.170 -3.878) 8.228 15.763 ( 2.784 -3.239 -3.770) 5.697 15.833 ( -3.111 -1.404 -1.908) 3.911 15.971 ( 4.589 2.462 3.073) 6.047 16.044 ( -0.856 -0.488 -0.613) 1.161 16.075 ( -0.127 -3.144 0.661) 3.215 16.128 ( -3.597 -4.721 -2.462) 6.426 23.320 ( 9.565 6.189 -3.853) 12.027 23.457 ( 12.632 -7.054 -3.240) 14.826 23.512 ( -7.712 8.835 -6.732) 13.523 23.719 ( -11.260 -11.696 -5.840) 17.254 ======================= Grid point 126 (41/120) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 0.000 0.000 28.116) 28.116 1.301 ( 0.000 0.000 28.443) 28.443 2.047 ( 0.000 0.000 34.735) 34.735 2.472 ( 0.000 0.000 -0.164) 0.164 2.647 ( 0.000 0.000 -11.425) 11.425 2.688 ( 0.000 0.000 -4.638) 4.638 2.705 ( 0.000 0.000 -9.876) 9.876 2.725 ( 0.000 0.000 -1.154) 1.154 2.964 ( 0.000 0.000 -0.662) 0.662 2.965 ( 0.000 0.000 -6.185) 6.185 3.232 ( 0.000 0.000 -3.582) 3.582 3.674 ( 0.000 0.000 -2.644) 2.644 3.959 ( 0.000 0.000 24.758) 24.758 4.380 ( 0.000 0.000 2.619) 2.619 4.732 ( 0.000 0.000 24.444) 24.444 5.309 ( 0.000 0.000 23.525) 23.525 5.688 ( 0.000 0.000 20.871) 20.871 5.784 ( 0.000 0.000 41.830) 41.830 5.908 ( 0.000 0.000 52.720) 52.720 6.065 ( 0.000 0.000 25.510) 25.510 6.281 ( 0.000 0.000 -6.258) 6.258 6.779 ( 0.000 0.000 10.221) 10.221 7.311 ( 0.000 0.000 11.735) 11.735 7.521 ( 0.000 0.000 59.150) 59.150 8.238 ( 0.000 0.000 11.295) 11.295 8.358 ( 0.000 0.000 -2.006) 2.006 8.571 ( 0.000 0.000 -3.581) 3.581 8.785 ( 0.000 0.000 -12.871) 12.871 9.352 ( 0.000 0.000 20.896) 20.896 9.745 ( 0.000 0.000 4.358) 4.358 9.963 ( 0.000 0.000 -4.774) 4.774 9.998 ( 0.000 0.000 -15.063) 15.063 10.001 ( 0.000 0.000 3.179) 3.179 10.833 ( 0.000 0.000 -12.357) 12.357 11.239 ( 0.000 0.000 7.777) 7.777 11.501 ( 0.000 0.000 12.165) 12.165 11.802 ( 0.000 0.000 -1.451) 1.451 12.400 ( 0.000 0.000 -28.703) 28.703 12.683 ( 0.000 0.000 -22.565) 22.565 12.714 ( 0.000 0.000 -2.094) 2.094 13.459 ( 0.000 0.000 -24.746) 24.746 13.770 ( 0.000 0.000 -17.550) 17.550 13.771 ( 0.000 0.000 -15.872) 15.872 13.989 ( 0.000 0.000 -4.075) 4.075 14.387 ( 0.000 0.000 13.849) 13.849 14.585 ( 0.000 0.000 13.119) 13.119 14.924 ( 0.000 0.000 -1.444) 1.444 15.435 ( 0.000 0.000 9.999) 9.999 15.587 ( 0.000 0.000 12.363) 12.363 15.631 ( 0.000 0.000 5.256) 5.256 15.763 ( 0.000 0.000 -4.107) 4.107 15.855 ( 0.000 0.000 4.281) 4.281 15.978 ( 0.000 0.000 -3.996) 3.996 16.133 ( 0.000 0.000 1.922) 1.922 16.343 ( 0.000 0.000 -2.555) 2.555 16.783 ( 0.000 0.000 -13.214) 13.214 22.874 ( 0.000 0.000 14.442) 14.442 22.949 ( 0.000 0.000 2.477) 2.477 23.451 ( 0.000 0.000 -3.400) 3.400 24.571 ( 0.000 0.000 -1.202) 1.202 ======================= Grid point 127 (42/120) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 13.236 0.000 22.069) 25.734 1.425 ( 9.729 0.000 20.573) 22.758 2.262 ( 19.081 0.000 25.604) 31.931 2.502 ( 2.645 0.000 -0.827) 2.771 2.624 ( -2.877 0.000 -10.105) 10.507 2.649 ( -2.080 0.000 -2.171) 3.007 2.729 ( 0.894 0.000 -7.842) 7.892 2.740 ( 0.303 0.000 -2.255) 2.275 2.902 ( -5.794 0.000 -0.992) 5.878 2.960 ( -0.147 0.000 -10.160) 10.161 3.193 ( -2.245 0.000 -2.272) 3.194 3.650 ( -3.069 0.000 -2.693) 4.083 3.738 ( -16.296 0.000 24.999) 29.842 4.384 ( 0.032 0.000 1.999) 1.999 4.840 ( 9.981 0.000 19.899) 22.262 5.001 ( -22.631 0.000 34.929) 41.620 5.490 ( -9.480 0.000 21.497) 23.494 5.772 ( -0.583 0.000 25.493) 25.500 5.858 ( 13.768 0.000 26.356) 29.736 6.387 ( 8.248 0.000 0.465) 8.261 6.429 ( 16.828 0.000 18.448) 24.970 6.963 ( 14.500 0.000 18.444) 23.461 7.261 ( -2.852 0.000 8.849) 9.297 7.585 ( 10.820 0.000 43.383) 44.712 8.231 ( -9.960 0.000 -7.355) 12.382 8.557 ( -1.966 0.000 -2.945) 3.541 8.782 ( 44.708 0.000 21.449) 49.587 8.808 ( 2.688 0.000 -9.945) 10.302 9.393 ( 4.125 0.000 18.973) 19.417 9.635 ( -6.065 0.000 11.787) 13.256 9.790 ( -15.148 0.000 -4.830) 15.900 9.920 ( -6.209 0.000 0.787) 6.259 10.045 ( 4.124 0.000 -13.813) 14.415 10.878 ( 3.530 0.000 -8.385) 9.098 11.204 ( -4.284 0.000 4.921) 6.525 11.392 ( -7.047 0.000 5.087) 8.692 11.839 ( -36.863 0.000 -34.796) 50.692 12.095 ( 18.786 0.000 -1.100) 18.818 12.727 ( -4.470 0.000 -15.882) 16.499 12.890 ( 4.758 0.000 -13.935) 14.725 13.402 ( -9.070 0.000 -16.104) 18.483 13.478 ( -11.731 0.000 -21.476) 24.471 13.967 ( 9.990 0.000 -11.431) 15.181 14.027 ( 3.451 0.000 0.464) 3.482 14.339 ( -2.666 0.000 14.938) 15.174 14.686 ( 8.220 0.000 8.731) 11.992 14.907 ( -1.275 0.000 -3.337) 3.572 15.213 ( -9.433 0.000 17.548) 19.923 15.636 ( -0.412 0.000 3.501) 3.525 15.720 ( -2.491 0.000 -2.950) 3.861 15.766 ( 13.148 0.000 11.530) 17.487 15.961 ( -1.714 0.000 -3.708) 4.085 16.064 ( 9.938 0.000 1.018) 9.990 16.180 ( 3.774 0.000 2.298) 4.419 16.315 ( -2.926 0.000 -3.988) 4.946 16.714 ( -6.053 0.000 -13.102) 14.432 22.939 ( 6.280 0.000 13.673) 15.046 23.092 ( 9.416 0.000 -0.118) 9.417 23.384 ( -6.187 0.000 -5.603) 8.347 24.545 ( -2.628 0.000 -2.580) 3.683 ======================= Grid point 128 (43/120) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 10.734 0.000 9.452) 14.302 1.730 ( 17.221 0.000 12.027) 21.006 2.505 ( -3.684 0.000 -5.561) 6.671 2.554 ( 1.224 0.000 -1.627) 2.036 2.584 ( -4.056 0.000 -0.245) 4.064 2.667 ( -5.510 0.000 -3.432) 6.491 2.684 ( -4.409 0.000 2.371) 5.007 2.693 ( 9.169 0.000 3.852) 9.946 2.867 ( -10.751 0.000 -5.237) 11.959 2.915 ( 12.100 0.000 1.499) 12.192 3.181 ( 0.395 0.000 -4.457) 4.474 3.532 ( -7.471 0.000 0.229) 7.475 3.659 ( 13.472 0.000 -11.724) 17.859 4.377 ( -0.563 0.000 0.792) 0.972 4.865 ( 13.562 0.000 -6.499) 15.039 5.068 ( 10.872 0.000 6.667) 12.753 5.518 ( 11.985 0.000 7.683) 14.236 5.943 ( 16.541 0.000 16.002) 23.015 6.239 ( 21.585 0.000 14.811) 26.178 6.617 ( 14.447 0.000 5.586) 15.489 6.714 ( 11.806 0.000 9.131) 14.925 7.219 ( 10.272 0.000 24.779) 26.824 7.232 ( 0.081 0.000 5.409) 5.410 7.975 ( 21.887 0.000 19.094) 29.045 7.989 ( -13.447 0.000 -14.593) 19.844 8.471 ( -6.557 0.000 -5.283) 8.420 8.899 ( 5.543 0.000 -3.810) 6.726 9.239 ( -17.803 0.000 -1.332) 17.853 9.469 ( -3.327 0.000 -0.462) 3.359 9.576 ( -0.010 0.000 12.323) 12.323 9.767 ( -7.308 0.000 7.652) 10.581 9.923 ( 42.525 0.000 17.705) 46.064 10.142 ( 3.774 0.000 -16.797) 17.216 10.955 ( 2.883 0.000 -3.411) 4.466 10.999 ( -15.810 0.000 -2.585) 16.020 11.162 ( -19.151 0.000 -18.772) 26.817 11.317 ( -0.079 0.000 -0.403) 0.410 12.315 ( -18.217 0.000 -16.647) 24.678 12.447 ( 0.069 0.000 -21.228) 21.228 12.837 ( -8.003 0.000 -4.454) 9.159 13.186 ( -8.021 0.000 -6.620) 10.400 13.322 ( -6.100 0.000 -11.457) 12.980 14.080 ( -0.220 0.000 8.408) 8.411 14.150 ( 1.352 0.000 7.781) 7.897 14.403 ( 14.433 0.000 1.258) 14.487 14.788 ( -0.636 0.000 -7.318) 7.346 14.957 ( 7.818 0.000 0.050) 7.819 15.182 ( 5.617 0.000 18.576) 19.407 15.556 ( -5.960 0.000 -6.273) 8.653 15.748 ( 4.015 0.000 5.464) 6.781 15.911 ( -2.785 0.000 -2.185) 3.540 15.946 ( 2.173 0.000 3.499) 4.119 16.182 ( -2.739 0.000 0.510) 2.786 16.250 ( 2.349 0.000 2.681) 3.565 16.252 ( 2.579 0.000 2.951) 3.919 16.562 ( -8.357 0.000 -11.377) 14.117 23.128 ( 11.945 0.000 10.927) 16.189 23.189 ( -3.184 0.000 -4.034) 5.139 23.242 ( -4.214 0.000 -7.812) 8.876 24.460 ( -5.727 0.000 -5.519) 7.953 ======================= Grid point 129 (44/120) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 11.261 0.000 1.787) 11.402 2.062 ( 14.209 0.000 4.455) 14.891 2.415 ( -3.021 0.000 -6.896) 7.529 2.490 ( -5.733 0.000 -3.138) 6.536 2.493 ( -5.115 0.000 0.645) 5.156 2.557 ( -4.453 0.000 -5.595) 7.151 2.631 ( -3.723 0.000 -0.024) 3.723 2.661 ( -5.209 0.000 -0.831) 5.275 2.800 ( 3.727 0.000 -2.868) 4.703 3.120 ( -0.328 0.000 7.405) 7.412 3.191 ( 3.256 0.000 -4.231) 5.339 3.399 ( -4.963 0.000 1.423) 5.163 4.071 ( 19.268 0.000 -26.241) 32.555 4.367 ( -0.324 0.000 -1.293) 1.334 5.388 ( 24.628 0.000 -18.439) 30.766 5.473 ( 40.354 0.000 -41.162) 57.644 5.898 ( 22.334 0.000 -3.219) 22.565 6.406 ( 26.551 0.000 2.916) 26.711 6.653 ( 16.296 0.000 5.628) 17.241 6.900 ( 5.444 0.000 2.247) 5.889 6.970 ( 18.461 0.000 7.984) 20.114 7.258 ( 1.891 0.000 -0.296) 1.914 7.425 ( 10.340 0.000 23.990) 26.124 7.679 ( -16.771 0.000 -16.493) 23.522 8.202 ( -3.706 0.000 -0.633) 3.759 8.327 ( -4.582 0.000 -16.055) 16.696 8.572 ( -43.364 0.000 -30.126) 52.802 8.996 ( 3.682 0.000 4.587) 5.882 9.516 ( -7.898 0.000 13.630) 15.753 9.557 ( 12.550 0.000 2.588) 12.814 9.782 ( 10.889 0.000 5.496) 12.197 10.055 ( -18.805 0.000 -27.637) 33.428 10.315 ( -0.968 0.000 -1.696) 1.952 10.648 ( -13.000 0.000 -6.781) 14.662 11.004 ( 9.642 0.000 -5.672) 11.187 11.332 ( 0.292 0.000 -4.584) 4.594 11.469 ( 30.906 0.000 27.693) 41.497 11.811 ( -19.007 0.000 -23.634) 30.329 12.508 ( -0.402 0.000 -13.296) 13.302 12.660 ( -4.845 0.000 7.186) 8.667 12.927 ( -15.915 0.000 -14.275) 21.379 13.368 ( 9.286 0.000 11.762) 14.985 13.950 ( -13.324 0.000 17.036) 21.627 14.061 ( -7.606 0.000 16.508) 18.176 14.775 ( 1.186 0.000 -17.352) 17.393 14.824 ( 22.720 0.000 -6.068) 23.516 15.090 ( 2.044 0.000 -10.859) 11.050 15.383 ( 12.311 0.000 16.249) 20.386 15.463 ( -1.012 0.000 -1.955) 2.202 15.781 ( -3.229 0.000 0.199) 3.236 15.891 ( -6.313 0.000 -5.059) 8.090 15.918 ( 5.533 0.000 5.715) 7.955 16.041 ( -6.956 0.000 -5.233) 8.705 16.269 ( -1.165 0.000 3.800) 3.974 16.315 ( 0.090 0.000 15.257) 15.257 16.380 ( -8.964 0.000 -7.899) 11.947 23.058 ( -5.382 0.000 -14.558) 15.521 23.174 ( -4.731 0.000 -5.966) 7.614 23.417 ( 15.711 0.000 5.789) 16.744 24.304 ( -9.611 0.000 -7.290) 12.063 ======================= Grid point 130 (45/120) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 11.570 0.000 -1.666) 11.689 2.287 ( 7.579 0.000 -1.470) 7.721 2.324 ( -9.557 0.000 -3.369) 10.133 2.406 ( -4.561 0.000 -4.214) 6.210 2.413 ( 1.881 0.000 -7.432) 7.666 2.478 ( -3.675 0.000 -7.910) 8.722 2.552 ( 0.573 0.000 2.359) 2.427 2.612 ( -3.149 0.000 2.927) 4.299 2.889 ( 5.292 0.000 -0.453) 5.312 3.016 ( -6.658 0.000 1.917) 6.929 3.254 ( 2.445 0.000 0.729) 2.552 3.314 ( -3.553 0.000 0.782) 3.638 4.312 ( 5.224 0.000 -11.702) 12.815 4.360 ( -0.672 0.000 -4.760) 4.807 6.081 ( 35.325 0.000 -36.526) 50.813 6.302 ( 36.485 0.000 -30.504) 47.557 6.323 ( 13.888 0.000 -17.131) 22.053 6.802 ( -6.442 0.000 1.148) 6.543 6.897 ( 17.807 0.000 -6.746) 19.042 6.958 ( 5.796 0.000 -15.483) 16.532 7.179 ( -12.871 0.000 -21.041) 24.665 7.276 ( 9.775 0.000 3.678) 10.444 7.405 ( -5.418 0.000 -3.505) 6.453 7.575 ( -46.788 0.000 -46.253) 65.791 7.659 ( 10.767 0.000 20.055) 22.762 7.951 ( -15.733 0.000 6.609) 17.065 8.483 ( 23.814 0.000 -35.946) 43.119 9.039 ( -6.729 0.000 -6.398) 9.285 9.314 ( -12.617 0.000 5.829) 13.898 9.404 ( -25.415 0.000 -19.034) 31.752 9.902 ( 17.321 0.000 2.284) 17.471 10.127 ( 18.530 0.000 1.884) 18.626 10.192 ( -10.297 0.000 -0.408) 10.306 10.454 ( -11.445 0.000 -3.247) 11.896 11.323 ( 19.903 0.000 8.218) 21.533 11.367 ( 5.532 0.000 -6.190) 8.301 11.547 ( -10.099 0.000 -11.703) 15.458 11.695 ( -11.021 0.000 12.231) 16.464 12.497 ( 1.736 0.000 -14.253) 14.358 12.631 ( -11.245 0.000 -13.328) 17.438 12.921 ( 28.918 0.000 24.373) 37.820 13.532 ( -26.653 0.000 23.305) 35.404 13.611 ( 12.933 0.000 16.964) 21.332 13.865 ( -11.273 0.000 17.787) 21.058 14.856 ( 6.375 0.000 -22.272) 23.166 15.011 ( -7.589 0.000 -21.847) 23.128 15.268 ( 19.470 0.000 -9.013) 21.455 15.539 ( 6.478 0.000 2.921) 7.106 15.556 ( -3.530 0.000 -2.446) 4.295 15.675 ( -6.272 0.000 1.062) 6.361 15.778 ( 2.369 0.000 6.845) 7.243 15.918 ( -6.282 0.000 4.359) 7.646 16.065 ( 7.593 0.000 6.209) 9.809 16.202 ( -5.243 0.000 4.952) 7.212 16.233 ( -3.476 0.000 -1.668) 3.856 16.257 ( -4.294 0.000 7.378) 8.536 23.007 ( 0.486 0.000 -15.778) 15.785 23.067 ( -4.817 0.000 -11.767) 12.714 23.751 ( 16.269 0.000 -0.607) 16.280 24.064 ( -13.695 0.000 -5.671) 14.823 ======================= Grid point 135 (46/120) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 0.000 8.221 20.707) 22.280 1.446 ( 0.000 13.999 23.803) 27.614 2.202 ( 0.000 10.257 22.820) 25.019 2.429 ( 0.000 -4.567 -2.237) 5.085 2.595 ( 0.000 -5.325 -4.262) 6.821 2.619 ( 0.000 -12.916 -3.640) 13.419 2.653 ( 0.000 0.739 -11.559) 11.583 2.732 ( 0.000 0.664 -9.538) 9.561 2.768 ( 0.000 2.191 1.481) 2.645 3.007 ( 0.000 -5.532 -1.095) 5.639 3.150 ( 0.000 -3.830 -1.562) 4.136 3.592 ( 0.000 -5.869 -3.225) 6.696 4.242 ( 0.000 23.181 27.271) 35.792 4.887 ( 0.000 11.929 26.111) 28.707 5.026 ( 0.000 51.957 5.135) 52.210 5.345 ( 0.000 4.001 23.123) 23.467 5.643 ( 0.000 -4.167 30.658) 30.940 5.867 ( 0.000 12.351 34.137) 36.303 5.947 ( 0.000 3.841 47.199) 47.355 6.004 ( 0.000 -0.718 18.178) 18.192 6.617 ( 0.000 26.037 6.040) 26.728 6.748 ( 0.000 -3.231 10.395) 10.885 7.314 ( 0.000 1.027 16.924) 16.955 7.576 ( 0.000 5.673 51.627) 51.938 8.189 ( 0.000 -4.335 11.460) 12.253 8.350 ( 0.000 -0.089 -1.863) 1.865 8.488 ( 0.000 -8.041 -1.404) 8.163 8.765 ( 0.000 -2.108 -12.179) 12.360 9.479 ( 0.000 12.270 19.335) 22.900 9.610 ( 0.000 -12.803 6.526) 14.371 9.890 ( 0.000 -3.282 3.950) 5.136 10.001 ( 0.000 1.080 -14.646) 14.686 10.074 ( 0.000 2.889 -5.399) 6.123 10.982 ( 0.000 13.660 -11.727) 18.003 11.177 ( 0.000 -5.982 7.326) 9.458 11.420 ( 0.000 -7.940 12.397) 14.722 11.804 ( 0.000 0.139 -5.122) 5.124 12.317 ( 0.000 -6.668 -12.864) 14.490 12.648 ( 0.000 -3.529 -20.699) 20.998 12.774 ( 0.000 1.837 -12.732) 12.863 13.453 ( 0.000 -0.702 -25.992) 26.002 13.656 ( 0.000 -9.278 -17.632) 19.924 13.753 ( 0.000 -1.823 -15.878) 15.982 13.888 ( 0.000 -11.351 -5.995) 12.837 14.478 ( 0.000 7.396 12.913) 14.881 14.705 ( 0.000 11.904 11.580) 16.607 14.973 ( 0.000 4.714 -0.063) 4.715 15.236 ( 0.000 -10.654 13.077) 16.868 15.537 ( 0.000 -5.268 12.462) 13.530 15.659 ( 0.000 1.057 4.445) 4.569 15.733 ( 0.000 -0.677 -1.335) 1.497 15.895 ( 0.000 3.525 1.711) 3.918 16.056 ( 0.000 -0.281 -3.331) 3.343 16.155 ( 0.000 4.072 -0.451) 4.097 16.325 ( 0.000 -1.934 -2.235) 2.956 16.645 ( 0.000 -13.875 -11.877) 18.264 22.894 ( 0.000 1.988 12.539) 12.696 22.975 ( 0.000 2.163 -1.714) 2.760 23.487 ( 0.000 3.743 -3.286) 4.980 24.498 ( 0.000 -7.569 -1.252) 7.672 ======================= Grid point 136 (47/120) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 10.881 5.404 17.086) 20.965 1.552 ( 8.260 12.220 17.831) 23.141 2.307 ( 8.114 0.381 14.715) 16.808 2.443 ( 1.156 -5.686 -3.259) 6.655 2.564 ( -1.993 -5.724 -6.067) 8.576 2.606 ( -0.195 -0.981 -5.074) 5.171 2.652 ( -1.444 -2.780 -6.871) 7.552 2.759 ( 2.164 0.582 -10.132) 10.377 2.796 ( 2.927 2.261 1.414) 3.960 2.984 ( -2.404 -4.759 -2.543) 5.907 3.136 ( -1.141 -4.035 -1.536) 4.466 3.556 ( -3.367 -5.508 -3.344) 7.270 4.029 ( -15.523 21.893 27.513) 38.435 4.892 ( -2.864 2.140 24.986) 25.241 5.030 ( -1.724 48.171 7.365) 48.761 5.081 ( -9.209 12.671 23.131) 27.935 5.640 ( 1.494 12.989 18.305) 22.495 5.882 ( 3.064 13.080 21.056) 24.976 5.890 ( 10.314 3.957 27.924) 30.030 6.359 ( 17.388 1.952 20.053) 26.613 6.708 ( 8.091 17.817 3.683) 19.912 6.956 ( 14.302 3.761 18.710) 23.849 7.317 ( 0.444 5.952 11.169) 12.663 7.608 ( 8.295 2.797 38.440) 39.424 8.209 ( -7.956 -1.603 -1.500) 8.253 8.482 ( -0.162 -7.350 -0.098) 7.352 8.712 ( 21.862 -5.195 3.763) 22.783 8.827 ( 21.827 0.648 4.444) 22.284 9.487 ( 0.458 5.098 18.394) 19.093 9.563 ( -0.249 -2.013 7.886) 8.143 9.739 ( -13.480 -3.698 0.755) 13.998 9.995 ( -6.316 5.062 -3.497) 8.817 10.061 ( 5.009 1.784 -12.790) 13.851 10.959 ( -2.014 5.466 -7.217) 9.275 11.102 ( -8.515 -7.449 2.065) 11.501 11.369 ( -2.595 -1.799 4.951) 5.872 11.788 ( -21.253 -4.399 -22.940) 31.580 12.121 ( 6.229 0.598 -4.201) 7.537 12.711 ( -0.200 -2.175 -13.043) 13.225 12.882 ( 1.862 -1.143 -15.590) 15.742 13.368 ( -16.344 -4.415 -13.821) 21.854 13.414 ( -6.811 -5.461 -25.709) 27.151 13.803 ( 3.224 -13.064 -5.565) 14.562 13.927 ( 2.514 -9.819 -6.534) 12.059 14.496 ( 2.313 11.252 12.822) 17.215 14.800 ( 7.693 11.012 7.625) 15.446 14.956 ( -1.207 4.523 -1.155) 4.822 15.131 ( -4.451 -3.881 15.085) 16.199 15.674 ( 1.352 2.206 5.581) 6.152 15.703 ( -0.232 -1.446 -1.981) 2.463 15.712 ( 9.119 -4.111 8.397) 13.060 15.937 ( 2.154 -0.884 1.648) 2.853 16.103 ( 3.815 0.070 -2.152) 4.381 16.178 ( 1.666 0.384 0.784) 1.881 16.297 ( -2.777 -1.880 -3.216) 4.646 16.586 ( -5.060 -12.683 -11.762) 18.022 22.947 ( 5.338 0.867 11.696) 12.886 23.076 ( 6.889 -1.355 -1.103) 7.107 23.422 ( -5.938 4.014 -5.429) 8.992 24.470 ( -2.730 -7.698 -2.672) 8.594 ======================= Grid point 137 (48/120) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 10.560 4.427 10.045) 15.232 1.738 ( 11.670 4.036 8.926) 15.236 2.393 ( -1.361 -9.202 -1.017) 9.358 2.467 ( 1.171 -6.662 -1.192) 6.869 2.489 ( -3.361 -3.445 -9.213) 10.394 2.601 ( -3.033 -3.849 -5.551) 7.405 2.658 ( 0.583 0.717 -8.622) 8.671 2.775 ( -1.970 0.798 0.666) 2.228 2.821 ( -4.894 -1.669 -0.741) 5.224 2.970 ( 6.550 3.496 0.521) 7.443 3.103 ( -1.482 -5.276 -0.384) 5.494 3.454 ( -6.511 -4.782 -2.287) 8.396 3.965 ( 14.121 20.824 -8.443) 26.539 4.820 ( 10.376 -3.373 -3.911) 11.590 5.041 ( 0.773 54.253 3.072) 54.346 5.208 ( 12.117 15.315 5.664) 20.334 5.795 ( 12.729 21.918 7.466) 26.423 6.064 ( 16.325 13.326 18.146) 27.809 6.260 ( 22.621 2.590 14.790) 27.151 6.660 ( 12.813 3.585 9.886) 16.576 6.907 ( 10.652 16.787 5.041) 20.511 7.198 ( 8.918 0.091 22.325) 24.040 7.338 ( 2.711 14.042 6.274) 15.617 7.875 ( 3.453 -5.678 3.405) 7.467 8.077 ( 4.389 5.342 5.263) 8.689 8.453 ( -2.159 -3.306 -0.659) 4.003 8.825 ( 3.192 -5.501 -5.550) 8.441 9.246 ( -15.810 -0.081 -0.885) 15.835 9.430 ( -1.440 -4.046 1.811) 4.661 9.580 ( 1.375 2.099 4.315) 4.992 9.844 ( -6.633 6.710 5.627) 10.985 9.939 ( 37.564 1.949 17.034) 41.292 10.183 ( 5.545 3.815 -13.712) 15.275 10.750 ( -16.904 -16.982 -15.907) 28.761 10.953 ( -2.628 -1.684 2.030) 3.723 11.324 ( -13.491 10.547 -8.539) 19.136 11.367 ( 1.512 4.026 -1.233) 4.474 12.290 ( -4.288 -4.744 -4.538) 7.841 12.428 ( -15.512 0.159 -31.465) 35.081 12.836 ( -6.249 -0.430 -3.555) 7.202 13.106 ( -6.278 -8.769 -1.507) 10.890 13.263 ( -9.069 -5.285 -16.883) 19.880 13.821 ( -2.536 -17.865 6.799) 19.282 14.050 ( 7.428 -14.698 -2.575) 16.669 14.589 ( 7.588 14.063 9.915) 18.806 14.875 ( -1.286 8.072 -7.580) 11.148 15.024 ( 8.034 6.402 1.370) 10.364 15.148 ( 5.883 -0.695 15.686) 16.767 15.598 ( -5.297 4.014 -5.693) 8.751 15.733 ( 2.570 -2.084 3.836) 5.066 15.868 ( 2.595 -2.734 3.736) 5.308 15.962 ( -0.491 -0.117 2.208) 2.265 16.147 ( -5.062 -3.857 -2.048) 6.685 16.199 ( 3.864 -3.914 3.780) 6.673 16.256 ( 0.789 -0.964 2.002) 2.358 16.465 ( -6.502 -9.224 -9.778) 14.933 23.107 ( 9.146 -2.130 7.922) 12.286 23.166 ( 1.280 -2.270 -0.285) 2.622 23.276 ( -6.668 4.058 -9.483) 12.282 24.383 ( -5.767 -7.894 -5.731) 11.332 ======================= Grid point 138 (49/120) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 7.841 2.670 2.399) 8.623 1.994 ( 11.026 -5.127 2.169) 12.351 2.327 ( -3.346 -6.750 -6.475) 9.934 2.401 ( -2.353 -2.412 -4.424) 5.561 2.511 ( -5.896 -3.583 -5.781) 9.001 2.541 ( -5.687 0.466 -3.371) 6.628 2.560 ( 2.639 -8.607 -4.211) 9.939 2.681 ( -3.941 0.994 -3.403) 5.301 2.777 ( -1.333 2.745 2.151) 3.733 2.999 ( -4.787 -7.950 2.084) 9.511 3.149 ( 3.385 -3.321 -0.646) 4.785 3.324 ( -5.436 -4.633 -0.898) 7.199 4.460 ( 27.223 27.170 -29.979) 48.765 5.034 ( -0.283 53.745 -0.110) 53.745 5.389 ( 39.439 -4.130 -38.089) 54.985 5.525 ( 21.443 14.523 -13.329) 29.127 6.098 ( 15.478 15.967 0.856) 22.254 6.514 ( 24.175 9.095 5.033) 26.315 6.742 ( 21.586 6.423 8.505) 24.074 6.891 ( 9.894 4.924 3.425) 11.570 7.124 ( 9.870 9.720 6.543) 15.320 7.312 ( 2.941 2.307 9.165) 9.897 7.459 ( 5.728 11.447 5.059) 13.763 7.684 ( -11.643 2.028 -8.535) 14.578 8.184 ( -4.076 -0.949 2.368) 4.808 8.384 ( -10.309 3.104 -23.498) 25.847 8.597 ( -29.107 4.950 -23.703) 37.863 8.992 ( 1.411 -0.313 3.368) 3.665 9.393 ( -3.017 -6.211 5.460) 8.803 9.651 ( 8.635 2.436 6.991) 11.374 9.817 ( 5.853 4.727 1.157) 7.612 10.060 ( -16.005 1.216 -21.885) 27.140 10.320 ( -1.635 0.084 -0.252) 1.656 10.579 ( -5.106 -6.492 -6.219) 10.339 11.037 ( 7.720 0.932 -10.726) 13.248 11.305 ( 7.900 1.610 8.483) 11.702 11.569 ( 20.820 7.426 17.152) 27.979 11.843 ( -18.994 3.213 -21.747) 29.052 12.403 ( -1.640 -10.345 -11.855) 15.819 12.674 ( -5.421 1.000 5.409) 7.723 12.878 ( -16.638 -4.673 -14.087) 22.295 13.256 ( 8.553 -11.437 10.932) 17.985 13.703 ( -9.269 -17.632 13.035) 23.806 14.064 ( -7.251 -10.410 11.393) 17.051 14.843 ( 15.563 5.614 -1.101) 16.581 14.864 ( 2.154 7.656 -14.920) 16.907 15.144 ( 1.429 4.666 -10.976) 12.012 15.334 ( 10.836 -2.793 14.050) 17.962 15.525 ( -0.182 5.162 -0.133) 5.167 15.732 ( -3.362 -4.911 -1.037) 6.042 15.887 ( -5.990 -0.054 -3.355) 6.866 15.934 ( 4.765 0.541 4.844) 6.817 16.008 ( -5.687 -2.969 -2.480) 6.878 16.252 ( -0.469 -2.790 6.920) 7.476 16.264 ( -1.306 -4.922 7.570) 9.123 16.325 ( -6.587 -4.434 -4.232) 8.998 23.090 ( -4.859 2.593 -11.962) 13.169 23.152 ( -3.679 -0.992 -7.605) 8.507 23.392 ( 14.124 -2.654 4.560) 15.078 24.229 ( -9.383 -7.731 -7.678) 14.379 ======================= Grid point 139 (50/120) ======================= q-point: ( 0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 7.660 -4.712 -2.619) 9.367 2.148 ( 1.662 -9.619 -4.665) 10.819 2.266 ( -0.823 -3.871 -5.071) 6.432 2.350 ( -6.362 -3.483 -5.981) 9.401 2.418 ( 2.242 -1.237 -4.832) 5.469 2.467 ( -2.037 0.909 -4.344) 4.883 2.618 ( 0.032 -1.534 -1.687) 2.280 2.630 ( -0.246 2.326 0.190) 2.347 2.762 ( 1.544 -4.171 1.141) 4.591 2.863 ( -7.069 -10.509 1.328) 12.734 3.191 ( 1.555 -4.568 -0.663) 4.871 3.236 ( -3.138 -4.801 -0.888) 5.804 4.866 ( 11.415 42.945 -13.289) 46.381 5.001 ( -3.263 51.928 -3.061) 52.120 6.142 ( 31.693 4.981 -35.677) 47.981 6.227 ( 33.364 -2.453 -30.373) 45.185 6.397 ( 15.815 5.171 -14.175) 21.858 6.857 ( 11.749 -0.016 -10.968) 16.073 6.947 ( -13.525 8.932 -6.364) 17.413 7.127 ( 9.151 12.313 -0.330) 15.345 7.233 ( -4.417 6.951 -8.643) 11.939 7.298 ( 3.965 3.243 -9.719) 10.986 7.394 ( -2.498 -1.149 -0.722) 2.842 7.633 ( -34.044 2.888 -26.839) 43.448 7.713 ( 2.550 10.741 4.025) 11.750 7.958 ( -16.022 2.136 0.370) 16.168 8.564 ( 20.831 8.240 -32.046) 39.099 9.031 ( -6.702 -0.864 -6.592) 9.440 9.286 ( -5.280 -0.893 7.873) 9.522 9.471 ( -24.205 7.045 -18.416) 31.220 9.949 ( 15.797 4.205 2.925) 16.607 10.119 ( 15.058 0.080 0.015) 15.058 10.221 ( -7.140 2.024 0.820) 7.467 10.434 ( -11.158 -2.196 -3.577) 11.922 11.238 ( 12.710 -3.111 -5.628) 14.244 11.478 ( 2.453 2.199 0.957) 3.431 11.551 ( -1.918 5.558 -3.065) 6.631 11.789 ( -8.106 8.055 9.602) 14.927 12.390 ( 2.451 -10.627 -13.326) 17.219 12.547 ( -12.896 -7.818 -13.006) 19.915 12.874 ( 24.591 -4.990 20.221) 32.226 13.372 ( -16.411 -13.719 18.001) 27.956 13.530 ( 9.471 -10.291 17.208) 22.175 13.814 ( -14.761 -8.517 17.401) 24.356 14.935 ( 5.604 7.664 -21.026) 23.071 15.070 ( -6.513 5.787 -20.592) 22.359 15.197 ( 16.026 -4.994 -6.090) 17.857 15.445 ( -5.027 -7.154 -3.919) 9.582 15.624 ( 6.414 3.658 6.528) 9.856 15.665 ( 1.111 -0.714 5.544) 5.699 15.779 ( -2.231 1.428 1.951) 3.290 15.878 ( -6.494 -3.795 4.605) 8.819 16.075 ( 6.678 0.246 6.273) 9.166 16.185 ( -3.437 -3.573 0.908) 5.040 16.209 ( -3.963 -3.850 7.202) 9.077 16.216 ( -3.875 -1.056 1.017) 4.143 23.033 ( -0.269 2.804 -14.945) 15.208 23.072 ( -3.508 0.846 -11.763) 12.304 23.701 ( 15.281 -5.167 -1.345) 16.187 23.997 ( -13.086 -6.854 -6.236) 16.035 ======================= Grid point 144 (51/120) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.000 13.203 11.261) 17.353 1.775 ( 0.000 18.942 15.694) 24.599 2.262 ( 0.000 0.296 -0.546) 0.621 2.301 ( 0.000 -8.845 -1.992) 9.067 2.507 ( 0.000 -3.951 -6.338) 7.469 2.610 ( 0.000 4.766 -1.120) 4.896 2.674 ( 0.000 1.285 -14.811) 14.867 2.753 ( 0.000 1.912 -4.485) 4.876 2.755 ( 0.000 -6.776 0.788) 6.822 2.925 ( 0.000 -0.017 0.867) 0.867 3.097 ( 0.000 -0.966 -2.007) 2.227 3.467 ( 0.000 -7.291 -3.169) 7.950 4.763 ( 0.000 30.181 30.900) 43.194 5.089 ( 0.000 9.210 31.458) 32.778 5.457 ( 0.000 7.046 20.990) 22.141 5.512 ( 0.000 -3.737 40.910) 41.080 5.607 ( 0.000 4.320 13.686) 14.351 5.947 ( 0.000 -3.315 42.230) 42.360 6.065 ( 0.000 6.934 19.198) 20.412 6.601 ( 0.000 23.251 18.218) 29.539 6.699 ( 0.000 21.766 16.551) 27.344 7.082 ( 0.000 19.266 24.157) 30.899 7.407 ( 0.000 10.821 12.788) 16.752 7.763 ( 0.000 16.611 37.730) 41.224 8.095 ( 0.000 -6.218 5.202) 8.107 8.319 ( 0.000 -7.193 7.576) 10.447 8.421 ( 0.000 11.280 0.853) 11.312 8.713 ( 0.000 -2.558 -10.626) 10.929 9.313 ( 0.000 -17.032 9.660) 19.581 9.756 ( 0.000 14.007 8.512) 16.390 9.854 ( 0.000 -1.021 8.737) 8.796 10.069 ( 0.000 -3.847 -9.171) 9.945 10.072 ( 0.000 8.165 -2.884) 8.660 11.030 ( 0.000 -9.210 7.244) 11.718 11.220 ( 0.000 -5.633 9.243) 10.824 11.301 ( 0.000 12.661 -8.420) 15.205 11.778 ( 0.000 -4.704 -8.304) 9.544 12.157 ( 0.000 -12.314 -3.920) 12.923 12.558 ( 0.000 -5.580 -16.467) 17.387 12.632 ( 0.000 -16.656 -7.058) 18.089 13.429 ( 0.000 -1.803 -26.961) 27.021 13.518 ( 0.000 -4.248 -22.627) 23.023 13.615 ( 0.000 -12.514 -11.336) 16.885 13.707 ( 0.000 -2.945 -17.718) 17.961 14.620 ( 0.000 8.167 12.428) 14.871 14.993 ( 0.000 16.412 8.879) 18.660 15.098 ( 0.000 8.828 2.767) 9.252 15.216 ( 0.000 7.109 5.606) 9.054 15.392 ( 0.000 -9.168 11.263) 14.523 15.594 ( 0.000 -6.071 0.615) 6.102 15.814 ( 0.000 6.738 2.708) 7.262 15.968 ( 0.000 -7.684 0.292) 7.689 15.976 ( 0.000 4.812 0.068) 4.812 16.196 ( 0.000 -1.026 -1.090) 1.497 16.270 ( 0.000 -3.744 -1.447) 4.014 16.299 ( 0.000 -20.737 -7.601) 22.086 22.943 ( 0.000 2.863 7.811) 8.319 23.011 ( 0.000 1.313 -5.030) 5.198 23.596 ( 0.000 7.736 -3.059) 8.319 24.297 ( 0.000 -12.864 -1.504) 12.952 ======================= Grid point 145 (52/120) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 6.201 10.909 9.211) 15.566 1.841 ( 5.090 16.750 12.555) 21.543 2.277 ( 1.635 -0.432 -2.585) 3.089 2.309 ( 0.449 -8.409 -3.271) 9.033 2.499 ( -0.524 -3.001 -7.115) 7.740 2.636 ( 0.024 1.513 -5.232) 5.447 2.659 ( -1.153 2.881 -7.189) 7.830 2.757 ( 0.246 -2.296 -5.965) 6.397 2.824 ( 6.589 -4.198 -3.368) 8.507 2.877 ( -4.020 -1.437 -0.137) 4.272 3.085 ( -0.826 0.282 -1.989) 2.172 3.444 ( -2.206 -6.422 -3.693) 7.729 4.440 ( -21.506 18.779 32.765) 43.459 4.900 ( -16.680 -0.957 31.879) 35.992 5.298 ( 6.564 15.524 12.383) 20.914 5.697 ( 8.268 15.790 13.773) 22.525 5.812 ( 14.978 4.279 15.879) 22.244 6.013 ( 8.137 6.940 22.144) 24.591 6.297 ( 12.328 10.097 30.528) 34.436 6.634 ( 3.896 12.716 14.605) 19.753 6.816 ( 13.122 23.949 14.183) 30.772 7.274 ( 8.427 16.157 13.030) 22.402 7.521 ( 12.800 16.417 18.860) 28.090 7.707 ( 1.104 8.558 21.875) 23.515 8.211 ( 0.578 -3.033 9.868) 10.340 8.356 ( -1.291 5.792 7.936) 9.909 8.602 ( 12.634 -6.936 -2.340) 14.602 8.855 ( 25.047 3.711 4.517) 25.721 9.359 ( 5.973 -10.261 10.003) 15.525 9.674 ( -12.712 1.575 -0.274) 12.812 9.789 ( 0.380 10.813 13.202) 17.069 10.043 ( -1.470 -1.102 -10.605) 10.762 10.127 ( 3.621 6.886 -3.143) 8.391 10.863 ( -14.352 -8.829 0.396) 16.855 11.121 ( -9.259 1.180 -0.533) 9.349 11.372 ( 4.923 3.893 0.154) 6.278 11.697 ( -11.250 -5.011 -15.353) 19.682 12.040 ( -1.657 -11.813 -0.732) 11.951 12.611 ( 4.051 -9.030 -5.241) 11.199 12.793 ( 7.086 -9.342 -9.114) 14.851 13.229 ( -22.175 -4.916 -27.346) 35.549 13.350 ( -9.183 -1.919 -21.911) 23.834 13.553 ( -2.493 -12.469 -7.487) 14.756 13.691 ( -2.843 -12.323 -13.935) 18.818 14.692 ( 5.590 9.961 13.042) 17.337 15.060 ( 5.640 14.727 5.535) 16.713 15.078 ( -1.009 9.103 2.138) 9.405 15.195 ( 0.337 9.219 4.924) 10.457 15.561 ( 10.588 -9.231 10.826) 17.735 15.618 ( 2.284 -6.324 0.396) 6.735 15.797 ( -1.448 6.852 1.773) 7.224 15.930 ( -0.323 -1.743 0.757) 1.927 16.055 ( 3.920 -2.509 0.350) 4.667 16.150 ( -4.598 -6.367 -2.505) 8.244 16.234 ( -2.276 -5.740 -0.651) 6.209 16.302 ( -0.228 -12.328 -6.721) 14.043 22.972 ( 3.127 1.691 6.906) 7.768 23.053 ( 3.151 -0.998 -1.868) 3.797 23.537 ( -5.361 8.159 -5.109) 11.019 24.266 ( -3.068 -13.162 -3.046) 13.854 ======================= Grid point 146 (53/120) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 8.879 6.265 3.831) 11.522 1.943 ( 4.382 13.107 6.695) 15.356 2.288 ( -1.249 -4.307 -4.900) 6.642 2.344 ( 3.146 -3.862 -3.360) 6.009 2.466 ( -3.603 -0.752 -7.799) 8.624 2.534 ( -5.057 -2.078 -6.844) 8.760 2.685 ( -4.900 -0.063 -9.623) 10.799 2.704 ( -1.000 -3.722 0.003) 3.854 2.800 ( -2.800 -3.934 0.149) 4.831 2.976 ( 6.239 -4.884 -5.455) 9.620 3.061 ( -2.265 3.607 -0.357) 4.274 3.364 ( -5.818 -4.718 -2.239) 7.819 4.297 ( 11.980 13.593 -6.939) 19.402 4.748 ( 7.972 -4.362 -3.215) 9.639 5.577 ( 16.002 22.939 3.339) 28.167 5.885 ( 9.200 24.766 7.302) 27.410 6.153 ( 16.561 13.366 6.945) 22.387 6.274 ( 16.571 5.906 22.036) 28.197 6.525 ( 13.131 18.075 16.360) 27.691 6.769 ( 9.042 4.037 10.928) 14.747 7.111 ( 12.974 17.990 11.200) 24.847 7.330 ( -0.382 10.583 7.279) 12.850 7.735 ( 0.244 2.108 0.581) 2.200 7.886 ( 15.482 23.344 16.379) 32.449 8.276 ( 8.763 12.437 13.820) 20.554 8.306 ( -2.964 -2.991 5.833) 7.194 8.746 ( 7.203 -2.518 -2.629) 8.071 9.292 ( -15.150 6.544 -8.965) 18.780 9.348 ( 4.521 -2.148 2.557) 5.621 9.646 ( 5.729 2.826 -0.807) 6.439 9.951 ( 10.471 2.818 12.693) 16.694 10.019 ( 14.040 5.709 0.292) 15.159 10.245 ( 7.623 0.602 -9.232) 11.987 10.457 ( -21.716 -8.513 -13.857) 27.131 10.916 ( -8.529 -2.090 0.381) 8.790 11.412 ( -2.442 2.233 -6.344) 7.155 11.526 ( 1.370 7.364 2.354) 7.851 12.075 ( 0.840 -18.285 2.177) 18.434 12.497 ( -22.791 6.218 -29.685) 37.938 12.763 ( -1.365 -11.024 1.608) 11.224 12.905 ( -6.061 -6.879 -2.317) 9.457 13.149 ( -11.680 -6.379 -19.810) 23.866 13.479 ( -5.229 -16.998 -0.630) 17.795 13.653 ( 0.038 -23.532 -8.454) 25.004 14.830 ( 7.991 10.560 12.968) 18.535 15.060 ( -0.422 11.310 -6.373) 12.989 15.176 ( 3.701 9.558 3.455) 10.816 15.248 ( 4.761 9.685 4.816) 11.818 15.637 ( 1.423 -4.735 -0.703) 4.994 15.678 ( -2.745 -2.179 1.922) 3.997 15.815 ( 4.008 -1.104 5.818) 7.151 15.942 ( 0.352 -1.536 1.847) 2.428 16.027 ( -5.773 -8.123 -1.818) 10.130 16.121 ( 2.130 -3.777 1.738) 4.672 16.201 ( -1.053 -5.132 2.070) 5.633 16.284 ( -1.439 -7.618 -5.189) 9.329 23.062 ( 4.050 -1.824 2.488) 5.091 23.124 ( 4.948 -2.081 3.108) 6.202 23.398 ( -7.514 8.767 -9.824) 15.160 24.173 ( -5.935 -13.654 -6.441) 16.222 ======================= Grid point 147 (54/120) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 6.891 3.193 -2.120) 7.885 2.000 ( 1.206 6.645 0.750) 6.795 2.258 ( -1.062 -0.670 -5.251) 5.399 2.340 ( -3.014 -3.600 -0.294) 4.704 2.442 ( -5.718 -3.873 -6.065) 9.191 2.452 ( 2.685 -2.505 -8.036) 8.835 2.533 ( -4.891 -1.405 -4.983) 7.122 2.695 ( -1.730 0.877 -3.769) 4.239 2.748 ( -2.197 -7.009 2.883) 7.891 2.954 ( -7.095 3.676 0.834) 8.034 3.056 ( 1.429 -6.683 -2.769) 7.373 3.238 ( -5.746 -4.510 -1.173) 7.398 4.852 ( 36.867 13.739 -40.138) 56.205 5.260 ( 38.174 -4.942 -40.206) 55.661 5.904 ( 16.830 22.607 -3.253) 28.371 6.005 ( 1.779 34.567 2.163) 34.680 6.422 ( 8.364 17.674 6.984) 20.763 6.610 ( 15.347 -0.323 8.236) 17.420 6.902 ( 19.713 8.967 6.351) 22.569 6.995 ( 12.538 0.537 9.213) 15.568 7.285 ( 2.365 8.181 4.807) 9.779 7.364 ( 5.427 8.057 10.481) 14.291 7.627 ( -8.162 3.262 -12.486) 15.270 8.052 ( -3.709 17.469 -4.040) 18.310 8.203 ( -5.357 14.207 4.509) 15.839 8.475 ( -2.026 12.048 -11.345) 16.672 8.785 ( -8.586 11.360 -13.456) 19.592 9.001 ( -0.941 2.064 -1.024) 2.489 9.348 ( -6.171 4.424 0.835) 7.639 9.667 ( 8.697 1.186 -5.041) 10.122 9.929 ( -1.032 5.978 -4.700) 7.674 10.134 ( -5.176 7.391 -5.804) 10.729 10.306 ( -2.276 -1.689 -1.421) 3.170 10.439 ( 2.348 -6.738 -7.329) 10.229 10.992 ( 14.023 -4.908 -0.668) 14.872 11.428 ( 5.160 9.183 2.220) 10.765 11.701 ( 13.620 4.299 12.291) 18.843 11.898 ( -14.591 -1.191 -9.510) 17.457 12.163 ( -5.344 -10.000 -14.263) 18.220 12.690 ( -6.855 0.242 2.858) 7.431 12.770 ( -14.794 -6.347 -9.366) 18.625 12.963 ( 3.013 -17.104 3.986) 17.819 13.337 ( -8.546 -20.298 6.072) 22.846 13.632 ( -4.215 -30.826 0.901) 31.126 15.000 ( 7.067 8.628 5.676) 12.514 15.074 ( 2.797 13.025 -10.019) 16.669 15.226 ( 1.422 3.970 -4.506) 6.171 15.337 ( 3.030 2.475 2.903) 4.872 15.576 ( -5.152 -2.368 0.303) 5.679 15.677 ( 2.862 1.982 1.075) 3.644 15.841 ( -2.268 -4.302 -2.026) 5.269 15.931 ( -2.885 -0.963 3.555) 4.679 15.967 ( 2.504 -1.111 6.845) 7.373 16.126 ( -2.274 -7.328 0.014) 7.673 16.174 ( -1.512 -5.302 3.767) 6.677 16.249 ( -2.103 -3.904 1.077) 4.564 23.092 ( 0.077 -0.480 -3.998) 4.028 23.229 ( -3.634 7.128 -11.381) 13.912 23.323 ( 8.539 -3.451 -0.197) 9.212 24.022 ( -8.770 -13.467 -8.836) 18.340 ======================= Grid point 148 (55/120) ======================= q-point: ( 0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 1.619 1.871 -4.052) 4.748 2.037 ( 0.304 -0.965 -7.068) 7.140 2.250 ( 0.780 1.469 -3.412) 3.796 2.311 ( -5.174 -0.738 -4.613) 6.971 2.338 ( 3.099 -5.851 -1.494) 6.788 2.426 ( -4.294 -5.364 -3.779) 7.842 2.560 ( 4.593 -1.566 -4.911) 6.904 2.647 ( -3.297 -4.192 -1.620) 5.573 2.726 ( 0.973 0.038 1.438) 1.736 2.803 ( -6.348 4.393 0.258) 7.724 3.084 ( 1.797 -6.729 -2.266) 7.324 3.139 ( -3.733 -5.549 -1.828) 6.933 5.566 ( 26.623 26.392 -27.043) 46.224 5.886 ( -3.696 33.476 -7.356) 34.473 6.136 ( 30.266 -0.998 -33.325) 45.029 6.364 ( 25.034 13.218 -23.898) 37.048 6.519 ( 4.134 6.793 -6.970) 10.575 6.861 ( 9.313 -0.249 -9.197) 13.091 7.054 ( -11.704 3.113 -14.142) 18.619 7.215 ( -2.517 -4.122 3.403) 5.908 7.293 ( 5.306 -0.019 -1.688) 5.568 7.402 ( -0.118 5.142 -6.170) 8.033 7.497 ( -4.040 6.045 -7.223) 10.248 7.666 ( -24.409 0.879 -23.243) 33.717 8.135 ( -1.591 30.206 4.240) 30.544 8.195 ( -9.793 26.188 -5.164) 28.432 8.759 ( 8.110 9.906 -15.691) 20.251 8.988 ( -7.705 -4.045 -5.174) 10.124 9.418 ( 10.129 18.237 5.481) 21.569 9.673 ( -11.920 14.139 -11.157) 21.598 10.050 ( 13.854 7.400 0.559) 15.717 10.157 ( 8.364 3.980 -0.814) 9.298 10.247 ( -3.882 1.278 0.348) 4.102 10.373 ( -9.088 -3.511 -5.075) 10.985 11.205 ( 10.449 -2.282 -9.723) 14.454 11.463 ( -11.346 -3.017 -5.346) 12.900 11.721 ( 11.304 9.592 8.499) 17.088 11.956 ( -5.538 8.005 10.702) 14.467 12.146 ( 6.604 -11.880 -12.464) 18.442 12.396 ( -17.453 -5.826 -12.230) 22.093 12.738 ( 14.932 -8.628 12.850) 21.507 13.067 ( -8.821 -17.785 10.424) 22.423 13.192 ( 6.590 -24.846 13.201) 28.896 13.447 ( -12.919 -29.391 9.178) 33.392 15.101 ( 4.434 8.050 -15.630) 18.132 15.172 ( 2.502 3.855 -6.792) 8.201 15.212 ( 0.060 7.635 -10.323) 12.840 15.320 ( -5.357 -4.177 -1.173) 6.893 15.595 ( 7.826 -2.352 11.335) 13.974 15.747 ( 0.826 4.887 6.539) 8.205 15.772 ( -2.704 -4.630 0.527) 5.388 15.843 ( -4.543 1.974 5.402) 7.329 16.042 ( 2.600 -3.840 3.333) 5.711 16.075 ( -1.586 -6.278 0.753) 6.518 16.141 ( -0.335 -2.497 1.990) 3.210 16.190 ( -3.449 -2.437 3.120) 5.251 23.097 ( 0.853 3.799 -10.272) 10.986 23.139 ( -3.384 6.917 -14.029) 16.003 23.563 ( 12.609 -8.962 -3.307) 15.819 23.814 ( -11.394 -11.927 -7.816) 18.253 ======================= Grid point 153 (56/120) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 0.000 15.005 5.112) 15.852 2.089 ( 0.000 -11.144 1.916) 11.307 2.121 ( 0.000 13.978 7.287) 15.764 2.280 ( 0.000 -0.427 -3.754) 3.779 2.450 ( 0.000 -1.351 -6.190) 6.336 2.531 ( 0.000 -10.020 2.631) 10.360 2.698 ( 0.000 1.078 -17.563) 17.596 2.703 ( 0.000 0.779 -12.558) 12.582 2.808 ( 0.000 3.757 0.313) 3.770 2.888 ( 0.000 -4.128 0.259) 4.136 3.164 ( 0.000 7.031 -1.474) 7.184 3.316 ( 0.000 -8.308 -2.475) 8.669 5.224 ( 0.000 10.346 41.282) 42.558 5.354 ( 0.000 24.853 25.924) 35.913 5.385 ( 0.000 -7.749 41.096) 41.820 5.578 ( 0.000 5.005 16.917) 17.642 5.634 ( 0.000 -1.224 21.092) 21.127 5.766 ( 0.000 -15.884 26.183) 30.624 6.254 ( 0.000 12.108 21.518) 24.691 6.482 ( 0.000 -10.684 20.136) 22.795 7.185 ( 0.000 10.891 40.688) 42.120 7.276 ( 0.000 1.416 38.595) 38.621 7.662 ( 0.000 12.722 4.739) 13.576 7.905 ( 0.000 -12.629 0.924) 12.662 8.131 ( 0.000 12.856 6.296) 14.315 8.262 ( 0.000 -2.215 10.248) 10.485 8.738 ( 0.000 7.466 -2.653) 7.924 8.975 ( 0.000 -6.102 1.935) 6.401 9.050 ( 0.000 39.007 16.032) 42.174 9.739 ( 0.000 -18.266 11.456) 21.561 9.921 ( 0.000 3.904 -7.328) 8.303 9.968 ( 0.000 -3.310 -10.289) 10.809 10.384 ( 0.000 23.738 14.690) 27.916 10.811 ( 0.000 -15.592 8.950) 17.978 11.117 ( 0.000 1.209 10.790) 10.857 11.445 ( 0.000 -30.786 6.882) 31.546 11.596 ( 0.000 14.537 -11.932) 18.807 11.846 ( 0.000 -13.389 -10.129) 16.789 12.421 ( 0.000 -2.540 -7.235) 7.668 12.455 ( 0.000 -4.551 -11.742) 12.593 13.393 ( 0.000 -1.336 -23.685) 23.723 13.411 ( 0.000 -4.043 -16.787) 17.267 13.569 ( 0.000 3.259 -27.026) 27.222 13.642 ( 0.000 -3.804 -22.699) 23.016 14.821 ( 0.000 12.915 11.475) 17.276 15.077 ( 0.000 -11.567 12.149) 16.775 15.284 ( 0.000 9.708 0.723) 9.735 15.397 ( 0.000 12.104 1.948) 12.259 15.418 ( 0.000 11.618 0.895) 11.653 15.457 ( 0.000 -8.026 0.541) 8.045 15.787 ( 0.000 -9.560 2.898) 9.989 15.844 ( 0.000 -12.205 -0.998) 12.246 16.014 ( 0.000 2.618 2.081) 3.344 16.084 ( 0.000 4.979 -0.008) 4.979 16.126 ( 0.000 -5.708 1.288) 5.851 16.185 ( 0.000 -5.106 -0.688) 5.152 22.993 ( 0.000 2.203 2.035) 3.000 23.020 ( 0.000 -0.492 -3.014) 3.054 23.782 ( 0.000 11.738 -2.673) 12.038 24.033 ( 0.000 -14.141 -2.053) 14.290 ======================= Grid point 154 (57/120) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 3.389 13.896 3.341) 14.688 2.101 ( 0.979 -7.602 1.469) 7.804 2.157 ( 3.002 9.197 4.842) 10.819 2.284 ( 0.643 -0.674 -3.890) 4.000 2.459 ( 0.360 -0.258 -6.793) 6.807 2.555 ( 1.463 -9.503 1.844) 9.790 2.717 ( -1.832 3.269 -9.390) 10.111 2.725 ( -0.297 1.894 -12.756) 12.899 2.780 ( 2.637 -1.242 -8.724) 9.198 2.820 ( -5.893 -4.509 0.610) 7.445 3.168 ( 0.410 6.948 -2.343) 7.344 3.310 ( -0.649 -7.522 -3.194) 8.198 4.706 ( -25.496 9.818 34.067) 43.669 4.844 ( -23.399 -5.012 33.811) 41.422 5.626 ( 13.957 15.557 1.196) 20.934 5.797 ( 12.941 -2.641 1.799) 13.330 5.950 ( 19.419 8.901 28.948) 35.976 6.076 ( 17.311 -2.082 23.509) 29.269 6.406 ( 13.039 5.053 29.608) 32.744 6.530 ( 5.236 -7.699 19.825) 21.902 7.280 ( 8.289 12.306 29.836) 33.322 7.422 ( 8.238 -1.630 21.912) 23.466 7.724 ( 3.842 9.103 12.724) 16.109 7.932 ( 3.582 -7.009 4.387) 9.012 8.133 ( 3.205 14.173 8.812) 16.994 8.419 ( 7.777 -12.515 0.716) 14.752 8.894 ( 14.937 22.816 16.359) 31.801 9.054 ( 8.525 18.518 -1.829) 20.468 9.191 ( 16.715 4.329 14.386) 22.474 9.653 ( -7.716 -9.939 9.109) 15.534 9.886 ( -2.329 0.907 -7.820) 8.210 9.960 ( -1.104 -5.529 -14.000) 15.092 10.414 ( 1.722 22.223 10.959) 24.838 10.735 ( -8.037 -6.844 3.159) 11.019 11.081 ( -5.424 -0.402 6.223) 8.265 11.367 ( -4.175 -21.566 2.717) 22.133 11.577 ( -2.778 -0.365 -7.836) 8.322 11.692 ( -7.627 -11.335 -8.173) 15.920 12.498 ( 5.806 1.084 -2.973) 6.613 12.611 ( 9.593 -8.712 -4.782) 13.813 13.235 ( -18.298 3.423 -27.694) 33.369 13.317 ( -12.862 -3.908 -21.924) 25.717 13.397 ( -7.342 -0.301 -15.739) 17.369 13.496 ( -10.041 -8.303 -19.094) 23.115 14.917 ( 6.666 13.863 10.310) 18.518 15.165 ( 5.366 -7.480 7.243) 11.714 15.295 ( 1.332 9.773 -0.120) 9.864 15.413 ( 1.554 9.895 0.981) 10.064 15.463 ( 4.900 3.947 4.033) 7.473 15.482 ( 1.482 -6.109 0.085) 6.286 15.810 ( 2.080 -8.025 3.721) 9.087 15.839 ( -0.384 -9.647 0.688) 9.679 15.990 ( -2.166 3.468 1.182) 4.256 16.081 ( -0.276 1.776 -0.258) 1.815 16.121 ( -0.427 -4.165 1.041) 4.314 16.180 ( -0.317 -4.818 -1.351) 5.014 23.006 ( 1.420 1.729 2.234) 3.162 23.034 ( 1.348 -1.138 -0.702) 1.899 23.733 ( -4.563 12.261 -4.576) 13.860 23.994 ( -3.708 -14.613 -3.767) 15.539 ======================= Grid point 155 (58/120) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 5.050 10.604 -0.308) 11.749 2.122 ( 0.791 -3.983 -0.550) 4.098 2.228 ( 3.463 6.143 2.103) 7.359 2.314 ( 1.802 -1.032 -3.356) 3.946 2.448 ( -1.387 0.521 -7.698) 7.839 2.549 ( -4.831 -6.688 -1.191) 8.336 2.561 ( -6.354 2.084 -3.440) 7.520 2.669 ( -6.884 -6.887 0.202) 9.740 2.769 ( 0.726 4.346 -11.080) 11.925 2.870 ( 3.502 -5.746 -10.599) 12.555 3.160 ( -2.519 5.820 -1.400) 6.495 3.269 ( -4.209 -5.406 -1.745) 7.071 4.504 ( 9.184 8.808 -5.784) 13.978 4.647 ( 7.790 -6.314 -4.298) 10.909 5.960 ( 16.505 14.894 -2.489) 22.371 6.112 ( 15.850 -0.193 -0.208) 15.853 6.298 ( 15.674 9.020 19.845) 26.849 6.432 ( 16.609 1.596 19.414) 25.599 6.670 ( 11.376 2.927 14.821) 18.911 6.729 ( 14.402 -1.854 24.085) 28.124 7.438 ( 4.208 7.615 8.231) 11.977 7.493 ( -0.965 2.589 6.125) 6.719 7.749 ( 0.379 6.900 4.397) 8.190 7.990 ( 1.350 -14.940 5.812) 16.087 8.354 ( 16.557 16.780 14.138) 27.487 8.556 ( 7.494 -4.796 5.984) 10.722 9.041 ( 4.502 32.537 11.060) 34.659 9.332 ( -4.128 -0.759 9.107) 10.027 9.513 ( 5.614 12.180 -12.111) 18.070 9.656 ( 10.135 -2.161 -4.982) 11.498 9.926 ( 12.548 -6.328 -1.582) 14.142 9.950 ( 7.705 -5.944 -7.604) 12.350 10.399 ( -4.028 14.791 -0.234) 15.332 10.480 ( -14.026 4.397 -8.053) 16.761 10.913 ( -7.040 6.309 3.885) 10.220 11.365 ( 3.041 -27.635 7.094) 28.692 11.505 ( -0.139 3.874 -4.646) 6.050 11.678 ( 3.341 -13.537 2.966) 14.255 12.574 ( 0.184 0.728 1.316) 1.515 12.628 ( -16.039 0.258 -10.037) 18.923 12.854 ( -7.386 2.417 -13.045) 15.184 13.017 ( -13.099 -9.159 -17.780) 23.908 13.231 ( -10.577 -5.839 -12.866) 17.649 13.298 ( -9.835 -11.486 -12.997) 19.939 15.031 ( 4.586 11.449 7.945) 14.671 15.222 ( 0.624 -3.113 -1.298) 3.430 15.326 ( 1.009 9.016 -3.623) 9.769 15.446 ( 0.013 9.948 4.630) 10.972 15.527 ( 3.894 -8.713 -0.832) 9.580 15.563 ( 3.156 -1.869 4.871) 6.097 15.824 ( -0.158 -2.866 5.527) 6.228 15.871 ( 2.701 -6.085 3.719) 7.626 15.947 ( -1.528 4.127 1.322) 4.595 16.060 ( -1.992 -5.160 -1.422) 5.711 16.118 ( 0.191 0.248 1.482) 1.515 16.177 ( -0.000 -4.481 -1.241) 4.650 23.053 ( 2.798 0.810 1.063) 3.101 23.083 ( 3.972 -2.106 2.165) 4.990 23.609 ( -7.067 13.244 -8.982) 17.493 23.888 ( -6.374 -15.471 -7.638) 18.394 ======================= Grid point 156 (59/120) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 4.095 6.428 -3.899) 8.561 2.119 ( -1.200 1.831 -0.774) 2.322 2.266 ( -0.443 1.365 1.737) 2.253 2.293 ( -4.502 -1.285 0.867) 4.761 2.413 ( -4.547 2.186 -6.295) 8.067 2.431 ( -0.294 1.324 -6.446) 6.587 2.483 ( -2.069 -3.535 -6.443) 7.634 2.563 ( -3.490 -9.955 1.287) 10.627 2.769 ( 0.083 5.788 -5.759) 8.166 2.907 ( 0.880 -8.084 -5.858) 10.022 3.049 ( -7.063 5.309 0.328) 8.842 3.148 ( -6.531 -4.980 -0.325) 8.220 5.042 ( 38.840 7.448 -42.710) 58.209 5.162 ( 38.638 -5.501 -42.000) 57.334 6.274 ( 14.061 14.597 -1.449) 20.319 6.391 ( 10.598 7.239 3.477) 13.297 6.571 ( 8.912 1.187 13.302) 16.055 6.678 ( 7.451 0.902 12.481) 14.564 6.911 ( 11.621 3.146 8.689) 14.847 7.022 ( 10.904 -1.871 9.092) 14.320 7.396 ( -5.419 3.480 2.131) 6.783 7.447 ( -3.296 -0.756 2.389) 4.141 7.768 ( -0.455 10.408 -15.485) 18.663 7.977 ( -5.315 -9.990 -16.418) 19.940 8.627 ( 4.146 14.272 8.641) 17.192 8.765 ( 12.886 2.239 12.711) 18.238 8.956 ( -17.733 12.906 -14.579) 26.336 9.080 ( -13.808 2.813 -10.003) 17.281 9.555 ( 5.545 11.836 0.508) 13.080 9.702 ( 7.635 -1.543 -6.706) 10.278 10.155 ( 12.151 20.604 -2.832) 24.087 10.269 ( -3.353 0.503 -9.261) 9.862 10.302 ( -3.379 2.458 -6.412) 7.653 10.419 ( 13.964 6.029 3.363) 15.578 10.899 ( 5.428 1.884 6.797) 8.900 11.375 ( -4.357 -33.038 2.418) 33.411 11.634 ( 12.179 9.331 3.817) 15.810 11.818 ( 11.198 -6.220 7.911) 15.055 12.239 ( -14.803 13.244 -13.995) 24.298 12.517 ( -4.654 -14.631 0.052) 15.354 12.736 ( -8.142 1.573 -1.436) 8.416 12.799 ( -9.397 -0.329 -5.779) 11.036 12.969 ( -13.638 -13.801 -10.166) 21.905 13.095 ( -9.884 -20.709 -1.239) 22.980 15.126 ( 4.845 5.239 3.809) 8.089 15.218 ( -0.394 -2.853 -3.413) 4.466 15.345 ( 0.847 9.827 -8.487) 13.013 15.405 ( -3.383 5.708 4.410) 7.967 15.569 ( -1.043 -0.067 1.694) 1.990 15.619 ( 4.136 -6.490 1.057) 7.768 15.830 ( -0.454 1.361 9.159) 9.271 15.900 ( -1.127 -2.860 4.094) 5.120 15.941 ( 1.804 0.694 2.627) 3.262 16.013 ( -1.502 -4.458 -1.745) 5.017 16.117 ( -0.477 0.258 1.581) 1.671 16.168 ( -1.270 -4.225 0.776) 4.480 23.117 ( 3.636 3.167 -2.502) 5.432 23.203 ( 7.381 -5.283 -0.243) 9.080 23.459 ( -7.191 13.227 -12.617) 19.643 23.739 ( -7.994 -15.463 -10.626) 20.394 ======================= Grid point 157 (60/120) ======================= q-point: ( 0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 0.158 5.218 -2.422) 5.755 2.101 ( -1.049 5.024 -1.845) 5.454 2.213 ( -1.782 -5.727 0.098) 5.998 2.226 ( -2.347 -5.446 1.341) 6.080 2.361 ( 0.201 5.556 -4.881) 7.398 2.400 ( -2.444 4.455 -6.755) 8.453 2.493 ( 1.260 -6.046 -4.640) 7.725 2.517 ( -1.227 -7.394 -2.971) 8.062 2.803 ( 3.517 6.367 -2.464) 7.680 2.905 ( -5.616 5.282 -1.457) 7.846 2.945 ( 2.229 -6.965 -3.089) 7.939 3.026 ( -5.136 -6.220 -1.849) 8.276 5.891 ( 37.714 10.226 -39.346) 55.453 6.025 ( 39.341 -4.661 -40.196) 56.438 6.381 ( -8.553 14.907 -2.764) 17.407 6.557 ( -10.933 -2.436 -0.203) 11.203 6.659 ( 18.615 13.507 -10.289) 25.196 6.848 ( 9.247 -3.030 -9.520) 13.613 7.056 ( -0.636 -2.295 0.973) 2.573 7.098 ( -7.369 -4.392 -7.313) 11.273 7.319 ( 2.334 3.143 -4.561) 6.011 7.403 ( 2.528 -4.651 0.226) 5.299 7.586 ( -17.216 5.092 -31.998) 36.690 7.656 ( -22.198 -2.043 -29.752) 37.176 8.624 ( 1.513 18.603 1.652) 18.737 8.704 ( -5.023 17.998 2.756) 18.888 8.863 ( -3.054 -0.700 -3.606) 4.777 8.880 ( -1.895 -6.588 2.136) 7.180 9.847 ( 15.317 16.728 5.280) 23.287 9.939 ( 11.501 7.774 -2.609) 14.125 10.164 ( -4.102 0.190 -2.118) 4.621 10.226 ( -4.490 -3.993 -7.781) 9.831 10.418 ( 9.257 29.210 -0.813) 30.653 10.539 ( -0.887 27.278 0.337) 27.295 11.021 ( 6.300 -19.303 -1.611) 20.368 11.209 ( -10.539 -26.970 -0.955) 28.972 11.912 ( 13.003 11.644 5.254) 18.228 12.048 ( 3.313 4.846 -10.225) 11.791 12.111 ( 4.270 5.058 7.864) 10.279 12.344 ( -13.179 -5.604 -6.766) 15.839 12.610 ( 0.054 -1.888 5.014) 5.358 12.682 ( 2.203 -15.692 2.676) 16.070 12.740 ( -8.766 -18.113 0.603) 20.131 12.866 ( -12.384 -24.191 4.865) 27.609 15.224 ( 3.710 3.597 -0.870) 5.241 15.230 ( 2.189 2.021 -5.191) 5.985 15.311 ( -2.979 2.264 -0.681) 3.803 15.342 ( -3.526 2.987 -4.995) 6.805 15.601 ( 5.199 3.722 5.835) 8.656 15.699 ( 1.876 -2.591 -0.275) 3.211 15.761 ( -3.646 -2.124 11.401) 12.157 15.828 ( -5.098 -4.945 2.563) 7.551 16.004 ( 3.394 2.235 0.760) 4.134 16.025 ( 1.365 0.735 0.184) 1.561 16.101 ( -0.721 -1.742 1.495) 2.406 16.124 ( -2.627 -4.007 2.136) 5.246 23.205 ( 4.912 7.599 -8.176) 12.195 23.317 ( -5.527 11.055 -12.037) 17.253 23.379 ( 8.371 -9.473 -6.140) 14.054 23.564 ( -8.973 -13.614 -10.063) 19.161 ======================= Grid point 189 (61/120) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.725 ( 0.000 0.000 21.374) 21.374 1.774 ( 0.000 0.000 21.254) 21.254 2.369 ( 0.000 0.000 1.456) 1.456 2.389 ( 0.000 0.000 -12.377) 12.377 2.447 ( 0.000 0.000 -1.747) 1.747 2.599 ( 0.000 0.000 -2.817) 2.817 2.660 ( 0.000 0.000 -0.100) 0.100 2.759 ( 0.000 0.000 0.607) 0.607 2.838 ( 0.000 0.000 -6.843) 6.843 2.926 ( 0.000 0.000 -3.250) 3.250 3.204 ( 0.000 0.000 3.001) 3.001 3.618 ( 0.000 0.000 -3.315) 3.315 4.303 ( 0.000 0.000 11.582) 11.582 4.422 ( 0.000 0.000 1.929) 1.929 5.262 ( 0.000 0.000 29.418) 29.418 5.843 ( 0.000 0.000 24.564) 24.564 5.922 ( 0.000 0.000 9.251) 9.251 6.268 ( 0.000 0.000 12.262) 12.262 6.352 ( 0.000 0.000 16.135) 16.135 6.710 ( 0.000 0.000 40.060) 40.060 6.940 ( 0.000 0.000 42.242) 42.242 7.092 ( 0.000 0.000 22.855) 22.855 7.625 ( 0.000 0.000 20.914) 20.914 8.341 ( 0.000 0.000 -15.820) 15.820 8.406 ( 0.000 0.000 9.684) 9.684 8.457 ( 0.000 0.000 11.435) 11.435 8.560 ( 0.000 0.000 46.869) 46.869 8.683 ( 0.000 0.000 -2.847) 2.847 9.577 ( 0.000 0.000 -16.656) 16.656 9.699 ( 0.000 0.000 8.800) 8.800 9.879 ( 0.000 0.000 -3.495) 3.495 9.964 ( 0.000 0.000 8.105) 8.105 10.003 ( 0.000 0.000 -2.085) 2.085 10.710 ( 0.000 0.000 2.370) 2.370 11.451 ( 0.000 0.000 13.709) 13.709 11.725 ( 0.000 0.000 11.075) 11.075 11.728 ( 0.000 0.000 -7.218) 7.218 11.806 ( 0.000 0.000 -32.926) 32.926 12.262 ( 0.000 0.000 -17.176) 17.176 12.592 ( 0.000 0.000 -12.101) 12.101 12.939 ( 0.000 0.000 -27.565) 27.565 13.430 ( 0.000 0.000 -15.556) 15.556 13.519 ( 0.000 0.000 -11.520) 11.520 13.823 ( 0.000 0.000 -13.884) 13.884 14.698 ( 0.000 0.000 18.312) 18.312 14.850 ( 0.000 0.000 13.873) 13.873 14.919 ( 0.000 0.000 1.303) 1.303 15.640 ( 0.000 0.000 10.994) 10.994 15.642 ( 0.000 0.000 -5.543) 5.543 15.736 ( 0.000 0.000 3.005) 3.005 15.767 ( 0.000 0.000 6.038) 6.038 15.885 ( 0.000 0.000 -5.831) 5.831 15.948 ( 0.000 0.000 5.031) 5.031 16.146 ( 0.000 0.000 -0.700) 0.700 16.288 ( 0.000 0.000 -3.184) 3.184 16.505 ( 0.000 0.000 -15.083) 15.083 23.008 ( 0.000 0.000 3.669) 3.669 23.207 ( 0.000 0.000 20.111) 20.111 23.375 ( 0.000 0.000 -4.556) 4.556 24.507 ( 0.000 0.000 -6.087) 6.087 ======================= Grid point 190 (62/120) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 0.756 0.000 16.553) 16.570 1.795 ( 6.482 0.000 18.705) 19.796 2.381 ( -0.291 0.000 -11.295) 11.299 2.441 ( 4.145 0.000 -2.565) 4.875 2.453 ( 0.694 0.000 -3.249) 3.323 2.629 ( 2.833 0.000 -2.870) 4.033 2.646 ( -1.103 0.000 -0.151) 1.113 2.780 ( 2.491 0.000 -1.038) 2.698 2.804 ( -3.211 0.000 -7.069) 7.765 2.880 ( -3.595 0.000 -0.747) 3.672 3.194 ( -0.474 0.000 4.519) 4.543 3.593 ( -2.555 0.000 -3.257) 4.140 4.163 ( -14.259 0.000 16.715) 21.971 4.417 ( -0.841 0.000 1.442) 1.669 5.308 ( 3.028 0.000 27.940) 28.104 5.666 ( -18.592 0.000 32.741) 37.652 5.981 ( -26.596 0.000 31.192) 40.991 6.072 ( 10.267 0.000 12.737) 16.360 6.205 ( -1.937 0.000 6.674) 6.949 6.650 ( 4.339 0.000 5.821) 7.260 6.938 ( -0.057 0.000 47.777) 47.777 7.408 ( 17.271 0.000 24.183) 29.717 7.471 ( -9.762 0.000 12.753) 16.060 8.106 ( -19.881 0.000 -2.449) 20.031 8.165 ( -4.965 0.000 18.521) 19.175 8.454 ( 3.770 0.000 -5.180) 6.406 8.673 ( -0.040 0.000 -7.321) 7.321 9.254 ( 30.630 0.000 23.144) 38.391 9.612 ( 3.243 0.000 -18.242) 18.528 9.655 ( 1.790 0.000 2.826) 3.345 9.725 ( -15.271 0.000 -2.140) 15.420 9.879 ( -4.608 0.000 9.552) 10.605 9.990 ( -1.198 0.000 -0.732) 1.404 10.788 ( 4.501 0.000 -3.803) 5.892 11.312 ( -17.440 0.000 1.326) 17.490 11.343 ( -20.302 0.000 -7.482) 21.637 11.463 ( -6.696 0.000 4.764) 8.218 12.062 ( 11.921 0.000 -4.220) 12.646 12.360 ( -18.837 0.000 -18.641) 26.502 12.577 ( 13.400 0.000 -16.618) 21.348 12.965 ( -0.873 0.000 -24.066) 24.082 13.296 ( -2.966 0.000 -3.478) 4.571 13.749 ( 15.740 0.000 -10.963) 19.181 13.928 ( 9.423 0.000 -11.325) 14.732 14.664 ( -2.413 0.000 18.821) 18.975 14.801 ( -6.112 0.000 1.511) 6.296 14.928 ( 2.068 0.000 6.846) 7.151 15.501 ( -5.870 0.000 12.550) 13.855 15.567 ( -6.107 0.000 -5.942) 8.521 15.795 ( 2.386 0.000 6.146) 6.593 15.878 ( -0.343 0.000 -4.504) 4.517 15.893 ( 9.579 0.000 3.287) 10.127 16.138 ( 12.700 0.000 4.352) 13.425 16.200 ( 4.254 0.000 -0.437) 4.277 16.235 ( -4.492 0.000 -4.009) 6.021 16.432 ( -6.232 0.000 -15.648) 16.843 23.084 ( 5.229 0.000 -0.463) 5.249 23.250 ( 4.077 0.000 18.560) 19.003 23.272 ( -9.515 0.000 -5.753) 11.119 24.459 ( -4.507 0.000 -6.761) 8.125 ======================= Grid point 191 (63/120) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 2.458 0.000 8.171) 8.532 1.966 ( 9.223 0.000 12.022) 15.152 2.358 ( -1.901 0.000 -10.121) 10.298 2.452 ( -3.748 0.000 -4.591) 5.927 2.478 ( 1.572 0.000 -5.888) 6.094 2.609 ( -3.449 0.000 -1.650) 3.823 2.696 ( 2.097 0.000 -0.674) 2.203 2.715 ( -4.777 0.000 -7.844) 9.184 2.757 ( -3.203 0.000 -2.293) 3.939 2.941 ( 7.929 0.000 -4.633) 9.183 3.219 ( 4.103 0.000 8.636) 9.561 3.513 ( -4.851 0.000 -2.033) 5.260 3.752 ( -20.986 0.000 16.572) 26.741 4.384 ( -2.291 0.000 -0.177) 2.298 5.074 ( -30.636 0.000 27.056) 40.872 5.260 ( -7.358 0.000 14.615) 16.363 5.731 ( 3.546 0.000 14.624) 15.048 6.230 ( 8.629 0.000 13.261) 15.821 6.398 ( 15.977 0.000 3.090) 16.273 6.781 ( 5.860 0.000 -2.314) 6.300 7.010 ( 8.003 0.000 32.107) 33.090 7.343 ( -3.982 0.000 5.791) 7.028 7.693 ( 10.688 0.000 19.277) 22.042 7.724 ( -15.976 0.000 -11.072) 19.437 8.144 ( -4.552 0.000 -0.664) 4.600 8.346 ( -13.327 0.000 -8.092) 15.592 8.806 ( 11.633 0.000 -6.038) 13.106 9.018 ( -35.779 0.000 -18.257) 40.168 9.476 ( -2.821 0.000 1.610) 3.248 9.671 ( 0.321 0.000 -15.410) 15.414 9.839 ( 0.465 0.000 8.470) 8.483 9.936 ( -5.583 0.000 -0.993) 5.670 10.073 ( 17.711 0.000 -2.650) 17.909 10.811 ( 5.148 0.000 3.702) 6.340 10.814 ( -28.124 0.000 -19.693) 34.333 11.358 ( -4.246 0.000 4.996) 6.557 11.452 ( 25.107 0.000 30.259) 39.319 11.805 ( -21.873 0.000 -18.946) 28.937 12.299 ( 2.198 0.000 -6.759) 7.107 12.718 ( 2.714 0.000 -5.549) 6.177 12.860 ( -8.572 0.000 -20.427) 22.153 13.374 ( 9.681 0.000 8.796) 13.080 14.129 ( 7.719 0.000 -3.896) 8.646 14.131 ( 19.743 0.000 -6.737) 20.861 14.616 ( -1.898 0.000 17.812) 17.913 14.630 ( -9.408 0.000 -7.491) 12.026 14.944 ( -2.542 0.000 -3.865) 4.627 15.464 ( -2.009 0.000 -1.263) 2.373 15.488 ( 4.168 0.000 12.509) 13.185 15.815 ( -1.255 0.000 -1.419) 1.894 15.915 ( 4.544 0.000 4.925) 6.701 15.946 ( -4.352 0.000 -0.690) 4.407 16.079 ( -9.706 0.000 -5.610) 11.211 16.283 ( 3.226 0.000 0.144) 3.229 16.311 ( -4.136 0.000 -13.495) 14.114 16.443 ( 13.974 0.000 8.679) 16.450 23.019 ( -13.867 0.000 -9.353) 16.726 23.129 ( -2.187 0.000 -6.843) 7.184 23.369 ( 7.262 0.000 13.959) 15.735 24.330 ( -7.815 0.000 -8.179) 11.312 ======================= Grid point 192 (64/120) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 6.279 0.000 0.695) 6.317 2.136 ( 6.626 0.000 2.872) 7.221 2.296 ( -4.542 0.000 -5.387) 7.046 2.350 ( -3.626 0.000 -9.251) 9.936 2.465 ( -5.927 0.000 -5.268) 7.930 2.493 ( -6.940 0.000 0.320) 6.948 2.598 ( -2.533 0.000 -0.315) 2.553 2.710 ( -1.122 0.000 3.913) 4.070 2.764 ( 3.377 0.000 -2.124) 3.989 3.030 ( 0.434 0.000 -8.679) 8.690 3.320 ( 0.886 0.000 6.284) 6.346 3.445 ( -1.101 0.000 5.180) 5.296 3.583 ( 7.764 0.000 -18.395) 19.966 4.323 ( -3.782 0.000 -3.792) 5.356 4.776 ( 8.237 0.000 -24.209) 25.572 5.176 ( 1.239 0.000 -4.535) 4.701 5.912 ( 10.748 0.000 3.648) 11.350 6.477 ( 14.932 0.000 5.091) 15.776 6.732 ( 15.140 0.000 1.501) 15.214 6.808 ( -4.558 0.000 -11.343) 12.225 7.032 ( -17.473 0.000 -14.960) 23.002 7.339 ( 8.176 0.000 13.621) 15.886 7.503 ( -3.779 0.000 2.603) 4.589 7.516 ( -46.800 0.000 -54.586) 71.902 7.937 ( 8.350 0.000 27.193) 28.447 8.019 ( -15.246 0.000 -16.511) 22.473 8.532 ( -11.015 0.000 14.851) 18.490 9.040 ( 5.380 0.000 -0.501) 5.403 9.387 ( -29.321 0.000 -34.509) 45.283 9.592 ( 12.539 0.000 0.262) 12.542 9.738 ( -6.432 0.000 6.606) 9.220 9.927 ( 6.603 0.000 6.987) 9.613 10.211 ( -0.720 0.000 -9.590) 9.617 10.429 ( -6.708 0.000 -14.602) 16.069 11.073 ( 17.918 0.000 11.724) 21.413 11.289 ( -2.600 0.000 0.142) 2.604 11.488 ( -8.770 0.000 -8.758) 12.394 11.939 ( 11.907 0.000 15.425) 19.486 12.276 ( -2.818 0.000 -10.938) 11.296 12.634 ( -12.765 0.000 -15.947) 20.427 12.870 ( 17.940 0.000 18.493) 25.765 13.642 ( 15.124 0.000 15.665) 21.775 14.172 ( -4.815 0.000 5.051) 6.978 14.371 ( -1.351 0.000 12.824) 12.895 14.459 ( -5.690 0.000 -14.825) 15.879 14.719 ( 15.818 0.000 -1.783) 15.918 14.807 ( -9.596 0.000 -16.431) 19.028 15.501 ( 4.393 0.000 4.240) 6.106 15.579 ( -0.214 0.000 2.027) 2.038 15.769 ( -2.942 0.000 -1.252) 3.197 15.815 ( -5.452 0.000 -4.344) 6.971 15.892 ( -6.077 0.000 -7.710) 9.817 16.033 ( 6.481 0.000 6.146) 8.932 16.257 ( -0.095 0.000 0.099) 0.137 16.316 ( -0.196 0.000 1.084) 1.101 16.643 ( 4.132 0.000 14.567) 15.141 22.762 ( -9.634 0.000 -14.791) 17.652 22.996 ( -9.772 0.000 -12.450) 15.827 23.540 ( 9.175 0.000 6.943) 11.506 24.149 ( -9.535 0.000 -8.671) 12.888 ======================= Grid point 193 (65/120) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 9.056 0.000 -5.539) 10.616 2.219 ( -4.353 0.000 -8.310) 9.381 2.230 ( 3.145 0.000 -4.163) 5.217 2.295 ( -0.964 0.000 -6.892) 6.959 2.312 ( -5.838 0.000 -5.564) 8.064 2.352 ( -5.753 0.000 2.172) 6.149 2.621 ( 2.925 0.000 4.711) 5.545 2.679 ( -2.163 0.000 3.916) 4.473 2.868 ( 6.189 0.000 -2.240) 6.582 2.987 ( -4.422 0.000 -4.645) 6.413 3.304 ( 0.176 0.000 2.781) 2.787 3.364 ( -5.422 0.000 6.711) 8.628 3.923 ( 19.087 0.000 -29.374) 35.031 4.208 ( -8.498 0.000 -12.863) 15.417 5.388 ( 21.656 0.000 -27.846) 35.275 5.400 ( 45.614 0.000 -56.109) 72.311 5.960 ( -18.788 0.000 -28.022) 33.738 6.369 ( -43.276 0.000 -45.838) 63.039 6.569 ( -9.449 0.000 -27.575) 29.149 6.729 ( -18.111 0.000 -22.731) 29.064 6.803 ( 14.068 0.000 -2.591) 14.305 6.942 ( 2.705 0.000 -0.856) 2.837 7.429 ( 2.261 0.000 2.164) 3.130 7.505 ( -2.973 0.000 8.146) 8.671 7.940 ( 12.624 0.000 -17.635) 21.688 8.144 ( 10.267 0.000 27.531) 29.383 8.342 ( -9.004 0.000 25.135) 26.699 8.470 ( -36.376 0.000 -28.585) 46.263 9.373 ( 10.914 0.000 8.102) 13.593 9.587 ( -9.164 0.000 11.789) 14.932 9.882 ( 13.675 0.000 -4.321) 14.342 10.113 ( -8.338 0.000 -7.779) 11.404 10.126 ( 11.519 0.000 -1.764) 11.653 10.329 ( -6.857 0.000 -9.909) 12.050 11.283 ( 2.932 0.000 -2.314) 3.735 11.375 ( -4.591 0.000 -5.680) 7.303 11.486 ( 20.902 0.000 9.578) 22.992 11.866 ( -14.213 0.000 5.925) 15.399 12.251 ( 1.878 0.000 -11.282) 11.437 12.382 ( -10.395 0.000 -12.482) 16.244 13.413 ( 28.765 0.000 25.057) 38.148 13.917 ( -19.210 0.000 14.378) 23.995 13.955 ( 14.598 0.000 18.321) 23.425 14.221 ( -10.914 0.000 18.754) 21.699 14.443 ( 3.951 0.000 -19.465) 19.862 14.596 ( -9.965 0.000 -19.682) 22.061 15.089 ( 17.401 0.000 -8.765) 19.483 15.404 ( -13.241 0.000 -8.445) 15.705 15.602 ( 4.983 0.000 3.523) 6.102 15.696 ( -4.091 0.000 1.129) 4.244 15.769 ( 0.352 0.000 -10.398) 10.404 15.819 ( -3.359 0.000 -10.514) 11.038 16.167 ( 6.207 0.000 4.585) 7.716 16.274 ( -3.847 0.000 2.594) 4.639 16.376 ( 11.031 0.000 17.830) 20.966 16.598 ( -7.998 0.000 19.783) 21.339 22.668 ( 0.873 0.000 -18.469) 18.489 22.784 ( -9.382 0.000 -17.263) 19.648 23.738 ( 10.000 0.000 -0.650) 10.021 23.946 ( -10.104 0.000 -6.348) 11.933 ======================= Grid point 198 (66/120) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.000 -0.977 16.587) 16.616 1.856 ( 0.000 8.124 18.861) 20.536 2.305 ( 0.000 -7.033 -11.603) 13.568 2.428 ( 0.000 0.883 2.175) 2.348 2.440 ( 0.000 -1.416 -5.714) 5.887 2.520 ( 0.000 -15.173 -4.661) 15.872 2.561 ( 0.000 -6.183 0.386) 6.195 2.645 ( 0.000 3.195 -2.834) 4.271 2.776 ( 0.000 0.017 -3.892) 3.892 2.976 ( 0.000 -0.752 -2.638) 2.743 3.146 ( 0.000 -4.236 2.567) 4.953 3.523 ( 0.000 -6.344 -3.975) 7.486 4.663 ( 0.000 27.985 16.464) 32.469 5.072 ( 0.000 51.568 0.535) 51.571 5.420 ( 0.000 14.521 27.962) 31.507 5.893 ( 0.000 5.172 28.530) 28.995 5.974 ( 0.000 7.957 11.700) 14.150 6.339 ( 0.000 7.033 19.796) 21.008 6.368 ( 0.000 3.218 15.974) 16.295 6.904 ( 0.000 -4.568 36.483) 36.767 6.917 ( 0.000 21.944 27.295) 35.022 7.104 ( 0.000 1.921 28.904) 28.968 7.641 ( 0.000 1.714 20.902) 20.972 8.253 ( 0.000 -7.007 -7.539) 10.293 8.346 ( 0.000 -3.819 13.741) 14.262 8.512 ( 0.000 3.505 8.293) 9.003 8.594 ( 0.000 1.928 36.871) 36.922 8.625 ( 0.000 -5.174 -4.383) 6.781 9.590 ( 0.000 0.857 -9.419) 9.458 9.711 ( 0.000 -1.602 4.749) 5.011 9.891 ( 0.000 0.358 -6.045) 6.055 10.004 ( 0.000 8.111 13.368) 15.636 10.007 ( 0.000 0.761 1.273) 1.483 10.824 ( 0.000 10.779 -2.270) 11.015 11.366 ( 0.000 -8.109 10.600) 13.346 11.628 ( 0.000 -4.455 -14.685) 15.346 11.648 ( 0.000 -7.658 11.513) 13.827 11.954 ( 0.000 8.016 -20.639) 22.141 12.262 ( 0.000 -0.089 -15.783) 15.783 12.576 ( 0.000 -1.539 -11.689) 11.790 12.931 ( 0.000 -0.739 -27.061) 27.071 13.296 ( 0.000 -13.040 -17.165) 21.556 13.478 ( 0.000 -4.294 -13.291) 13.968 13.729 ( 0.000 -10.416 -12.182) 16.028 14.748 ( 0.000 4.625 15.683) 16.351 14.938 ( 0.000 8.866 12.159) 15.049 14.978 ( 0.000 5.845 1.383) 6.007 15.482 ( 0.000 -10.598 12.300) 16.236 15.664 ( 0.000 1.030 -4.705) 4.816 15.697 ( 0.000 -3.881 3.546) 5.257 15.765 ( 0.000 -0.137 6.495) 6.496 15.948 ( 0.000 0.612 2.773) 2.839 15.954 ( 0.000 2.877 -6.520) 7.126 16.152 ( 0.000 0.376 -1.081) 1.145 16.279 ( 0.000 -0.877 -2.448) 2.600 16.394 ( 0.000 -10.893 -13.479) 17.331 22.997 ( 0.000 -0.808 3.229) 3.329 23.193 ( 0.000 -1.431 18.444) 18.500 23.410 ( 0.000 3.645 -4.727) 5.969 24.433 ( 0.000 -7.526 -5.957) 9.599 ======================= Grid point 199 (67/120) ======================= q-point: ( 0.11 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 6.257 -1.235 14.248) 15.610 1.865 ( 0.654 7.581 14.609) 16.472 2.306 ( 0.010 -7.235 -10.711) 12.926 2.411 ( -2.342 -8.450 -5.193) 10.191 2.453 ( 1.571 -0.679 -1.054) 2.010 2.509 ( -1.613 -8.401 -2.683) 8.965 2.559 ( -0.746 -6.418 -1.909) 6.737 2.665 ( 2.685 2.510 -2.719) 4.572 2.801 ( 2.376 1.283 -4.093) 4.903 2.929 ( -4.303 -1.590 -3.088) 5.530 3.138 ( -0.692 -4.412 2.516) 5.125 3.487 ( -3.398 -6.580 -3.904) 8.372 4.548 ( -13.431 29.708 22.695) 39.725 5.074 ( 0.210 52.661 0.748) 52.666 5.405 ( -2.618 7.928 28.517) 29.714 5.674 ( -21.250 0.603 33.487) 39.665 6.035 ( -13.512 5.939 25.739) 29.671 6.131 ( 10.119 9.102 11.367) 17.733 6.388 ( 0.117 15.624 12.473) 19.993 6.719 ( -2.948 7.775 9.739) 12.806 7.019 ( 6.641 8.227 36.674) 38.167 7.389 ( 14.690 -0.322 22.485) 26.861 7.538 ( -6.662 7.374 12.348) 15.850 8.048 ( -10.785 -2.243 10.900) 15.497 8.269 ( -11.140 7.798 8.194) 15.876 8.440 ( 6.325 -1.645 -2.666) 7.058 8.616 ( 0.203 -5.541 -6.114) 8.254 9.201 ( 27.102 -5.555 16.613) 32.270 9.564 ( -4.709 -1.423 -6.917) 8.488 9.655 ( -4.757 -0.402 -1.665) 5.056 9.795 ( -3.020 1.751 -2.155) 4.102 9.931 ( -3.001 7.383 9.120) 12.112 10.011 ( 0.777 2.840 1.492) 3.300 10.834 ( -5.417 2.795 -7.974) 10.037 11.131 ( -14.107 -7.020 3.435) 16.127 11.429 ( -4.513 -2.078 5.104) 7.123 11.520 ( -14.907 5.977 -3.533) 16.445 12.051 ( 10.012 -0.765 -5.772) 11.582 12.364 ( -18.707 0.649 -19.384) 26.947 12.569 ( 13.808 -1.014 -15.565) 20.832 12.945 ( -1.356 -1.883 -23.624) 23.738 13.190 ( -3.308 -11.214 -4.682) 12.594 13.609 ( 10.864 -12.443 -12.128) 20.492 13.820 ( 7.496 -12.292 -8.303) 16.620 14.752 ( 0.780 8.109 14.622) 16.738 14.882 ( -5.598 7.823 0.437) 9.630 14.998 ( 2.007 7.012 6.621) 9.850 15.412 ( -3.019 -6.974 13.224) 15.252 15.601 ( -5.201 3.015 -5.127) 7.901 15.773 ( 2.396 -2.754 3.654) 5.165 15.847 ( 6.914 -0.756 4.690) 8.389 15.934 ( 1.644 1.332 -2.865) 3.562 16.107 ( 10.851 -3.253 2.297) 11.559 16.169 ( -1.010 -2.713 -2.413) 3.769 16.250 ( -0.956 0.558 -1.691) 2.021 16.332 ( -4.945 -9.407 -13.896) 17.494 23.058 ( 4.215 -2.215 0.201) 4.765 23.230 ( 3.194 -1.701 16.203) 16.602 23.312 ( -8.694 3.857 -5.298) 10.888 24.384 ( -4.683 -7.734 -6.666) 11.233 ======================= Grid point 200 (68/120) ======================= q-point: ( 0.22 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 1.369 6.515 6.257) 9.136 1.930 ( 8.249 -3.560 9.785) 13.284 2.293 ( -2.062 -8.937 -8.882) 12.767 2.343 ( -5.015 -8.890 -3.881) 10.920 2.427 ( -1.779 -3.252 -4.658) 5.953 2.508 ( 0.306 -8.069 -1.783) 8.270 2.530 ( -0.896 -3.602 -3.951) 5.421 2.735 ( 0.559 1.697 -3.906) 4.295 2.803 ( -4.164 0.466 -1.517) 4.456 2.893 ( 5.720 -2.971 -9.092) 11.145 3.119 ( -1.587 -5.684 2.799) 6.531 3.391 ( -5.641 -6.456 -3.758) 9.361 4.131 ( -20.642 23.923 21.186) 38.042 5.048 ( -29.557 -1.405 26.354) 39.625 5.074 ( -1.120 54.303 0.458) 54.316 5.374 ( -0.438 11.690 11.996) 16.756 5.988 ( 6.583 20.681 12.801) 25.197 6.359 ( 10.019 13.789 12.449) 21.106 6.528 ( 14.714 12.079 8.983) 21.050 6.777 ( 5.299 2.178 0.974) 5.811 7.167 ( 8.258 13.855 25.426) 30.110 7.420 ( -5.885 10.427 1.430) 12.058 7.615 ( 4.454 -4.826 13.623) 15.123 7.803 ( -8.738 6.360 0.874) 10.843 8.173 ( -4.584 3.885 -3.567) 6.988 8.374 ( -11.336 1.592 -5.498) 12.699 8.717 ( 1.757 -5.622 -6.133) 8.503 9.024 ( -24.391 -1.716 -19.982) 31.577 9.460 ( -4.660 1.361 -0.637) 4.896 9.633 ( 1.271 -10.698 -1.102) 10.829 9.812 ( 0.734 4.574 -8.879) 10.015 9.946 ( -2.296 2.944 -0.514) 3.769 10.205 ( 13.277 7.969 3.625) 15.904 10.610 ( -7.406 -10.914 3.884) 13.749 10.932 ( -13.655 3.446 -9.760) 17.134 11.367 ( -0.766 1.217 6.604) 6.759 11.522 ( 19.242 6.625 21.602) 29.678 11.830 ( -20.677 2.854 -20.353) 29.154 12.239 ( 0.228 -6.070 -6.349) 8.786 12.719 ( 2.543 -0.076 -6.249) 6.747 12.830 ( -9.046 -2.781 -19.906) 22.041 13.259 ( 9.147 -11.943 8.163) 17.115 13.863 ( 10.085 -19.146 -5.361) 22.294 13.997 ( 10.034 -18.252 -1.074) 20.856 14.710 ( -7.533 9.237 -4.685) 12.807 14.809 ( 1.848 14.065 9.295) 16.960 15.003 ( -3.088 5.699 -4.422) 7.846 15.430 ( 4.283 -4.304 12.171) 13.602 15.523 ( -0.563 5.370 -0.529) 5.425 15.782 ( -1.657 -3.824 1.041) 4.296 15.912 ( -1.302 0.527 -2.161) 2.577 15.959 ( 1.572 0.684 3.856) 4.220 16.035 ( -9.636 -4.602 -6.606) 12.557 16.241 ( -1.682 -5.906 -9.755) 11.527 16.288 ( 1.893 -0.907 -0.004) 2.100 16.388 ( 13.202 -5.208 7.496) 16.050 23.060 ( -13.036 4.121 -8.865) 16.295 23.096 ( -2.203 -2.573 -5.858) 6.767 23.341 ( 6.343 -2.927 12.292) 14.139 24.250 ( -8.018 -8.180 -8.212) 14.095 ======================= Grid point 201 (69/120) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 3.681 1.643 -0.171) 4.034 2.065 ( 3.522 -7.586 5.589) 10.059 2.177 ( -5.664 -9.246 -7.013) 12.914 2.285 ( -1.329 -2.454 -8.079) 8.548 2.394 ( -4.508 -4.860 -4.018) 7.751 2.485 ( -4.067 -0.599 -2.793) 4.970 2.527 ( 1.937 -9.960 0.474) 10.158 2.628 ( -2.400 1.015 -2.287) 3.467 2.810 ( -0.008 2.792 0.599) 2.856 3.011 ( -2.387 -2.695 -4.760) 5.969 3.081 ( 3.787 -11.589 -4.108) 12.866 3.281 ( -4.529 -6.371 -3.717) 8.655 3.980 ( 7.647 19.273 -13.822) 24.919 4.722 ( 4.394 -3.089 -20.470) 21.163 5.038 ( -3.144 54.846 -4.022) 55.083 5.429 ( 5.481 23.143 0.349) 23.786 6.159 ( 7.188 20.841 4.943) 22.593 6.587 ( 11.862 9.924 3.345) 15.823 6.807 ( 4.451 1.795 -7.409) 8.828 6.914 ( 9.801 15.873 -2.420) 18.811 7.135 ( -21.909 10.624 -19.215) 31.017 7.332 ( -0.120 -0.087 4.897) 4.899 7.523 ( -5.855 6.072 1.258) 8.529 7.637 ( -29.422 10.008 -32.146) 44.712 7.911 ( 5.622 -0.607 20.724) 21.482 8.113 ( -12.738 10.290 -14.018) 21.556 8.417 ( -11.112 -9.944 7.548) 16.713 9.025 ( 3.760 -1.263 -0.013) 3.967 9.443 ( -18.005 3.961 -26.795) 32.524 9.518 ( 2.146 -4.936 5.263) 7.527 9.825 ( 2.074 5.857 2.319) 6.632 9.908 ( 4.678 1.269 2.537) 5.471 10.291 ( -1.924 5.364 -4.109) 7.025 10.418 ( -6.917 -1.155 -10.939) 12.994 10.918 ( 8.976 -9.855 0.979) 13.366 11.416 ( 6.078 7.833 6.094) 11.638 11.530 ( -8.697 4.697 -8.678) 13.153 11.970 ( 13.256 2.816 15.059) 20.259 12.187 ( -3.853 -8.616 -10.628) 14.215 12.584 ( -14.208 -4.457 -15.950) 21.821 12.836 ( 14.292 -3.513 14.832) 20.895 13.515 ( 14.382 -13.597 14.811) 24.720 13.926 ( -2.915 -19.679 8.113) 21.484 14.185 ( 4.095 -21.810 1.830) 22.266 14.566 ( -4.828 10.238 -13.665) 17.745 14.848 ( -5.386 7.445 -13.248) 16.122 14.915 ( 3.521 13.178 2.496) 13.867 15.488 ( -1.397 -3.528 2.824) 4.730 15.595 ( 4.977 4.001 3.192) 7.139 15.717 ( -3.010 -4.793 -1.340) 5.816 15.820 ( -4.085 -0.248 -3.586) 5.441 15.870 ( -5.179 -0.316 -6.931) 8.658 16.053 ( 5.974 1.208 6.028) 8.572 16.212 ( 0.229 -4.310 0.397) 4.334 16.313 ( -0.031 -0.905 1.621) 1.856 16.577 ( 3.821 -6.616 13.883) 15.847 22.810 ( -9.632 5.022 -14.447) 18.075 22.982 ( -8.415 -1.094 -11.362) 14.181 23.492 ( 8.211 -4.896 5.819) 11.191 24.067 ( -9.534 -8.434 -8.953) 15.562 ======================= Grid point 202 (70/120) ======================= q-point: ( 0.44 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 4.323 -8.840 -2.841) 10.242 2.065 ( -1.044 -13.980 -2.039) 14.166 2.140 ( 0.693 -2.324 -6.533) 6.969 2.217 ( -5.843 -0.534 -8.784) 10.563 2.330 ( 0.776 0.372 -2.707) 2.840 2.380 ( -3.969 1.361 -3.978) 5.782 2.606 ( 3.954 -5.989 0.592) 7.201 2.644 ( 1.170 -1.032 1.392) 2.091 2.798 ( 0.465 -0.944 1.935) 2.202 2.885 ( -6.833 -8.215 0.610) 10.703 3.150 ( 1.728 -8.226 -3.771) 9.213 3.199 ( -3.463 -7.087 -2.763) 8.357 4.375 ( 26.863 27.091 -36.386) 52.721 4.831 ( -13.185 44.419 -18.369) 49.843 5.307 ( 40.266 -3.931 -52.536) 66.309 5.639 ( 17.561 22.451 -15.674) 32.529 6.069 ( -24.503 8.693 -29.298) 39.170 6.330 ( -42.977 -2.002 -45.276) 62.458 6.672 ( -8.002 9.298 -20.370) 23.779 6.703 ( -5.322 3.187 -11.350) 12.935 7.097 ( 12.169 23.890 -5.706) 27.411 7.260 ( 3.799 29.606 0.641) 29.856 7.434 ( 0.391 0.005 2.577) 2.607 7.549 ( -2.526 6.593 12.159) 14.060 8.013 ( 9.280 4.877 -9.381) 14.068 8.114 ( 10.448 1.280 13.208) 16.889 8.236 ( -8.319 -8.506 17.110) 20.840 8.572 ( -33.551 9.092 -24.395) 42.467 9.385 ( 8.528 2.514 7.093) 11.374 9.536 ( -4.431 -2.407 9.223) 10.511 9.967 ( 10.118 6.379 -1.907) 12.112 10.085 ( 8.700 -1.470 -2.895) 9.286 10.188 ( -5.827 3.976 -3.699) 7.965 10.305 ( -6.999 -2.562 -9.961) 12.440 11.148 ( 12.184 -8.383 -2.319) 14.970 11.366 ( -8.117 -0.398 -5.667) 9.907 11.652 ( 14.646 12.071 7.896) 20.556 11.946 ( -11.219 7.742 5.719) 14.782 12.147 ( 1.639 -10.194 -11.541) 15.485 12.293 ( -12.235 -8.169 -13.074) 19.681 13.301 ( 24.997 -10.966 22.381) 35.299 13.699 ( -9.478 -18.089 14.855) 25.253 13.868 ( 9.353 -12.619 16.934) 23.097 14.108 ( -9.817 -15.552 11.821) 21.863 14.548 ( 3.059 9.648 -18.226) 20.848 14.675 ( -8.456 7.208 -19.369) 22.330 15.103 ( 11.492 3.684 -2.753) 12.378 15.338 ( -10.794 -4.462 -5.201) 12.786 15.677 ( 3.494 6.206 1.744) 7.332 15.703 ( 0.796 -1.278 -3.888) 4.169 15.773 ( -2.077 1.424 -4.107) 4.818 15.785 ( -3.601 -1.430 -8.954) 9.757 16.182 ( 5.727 0.828 4.484) 7.320 16.273 ( -2.435 -0.627 3.071) 3.969 16.324 ( 9.303 -5.199 16.361) 19.526 16.531 ( -7.729 -6.740 19.037) 21.623 22.707 ( 0.060 4.236 -17.782) 18.280 22.799 ( -7.951 1.858 -16.351) 18.276 23.672 ( 9.228 -6.763 -1.502) 11.539 23.868 ( -9.711 -8.026 -6.933) 14.380 ======================= Grid point 207 (71/120) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.000 5.394 7.267) 9.050 2.053 ( 0.000 11.279 12.191) 16.608 2.166 ( 0.000 -6.989 -13.426) 15.136 2.232 ( 0.000 -7.468 -1.552) 7.628 2.390 ( 0.000 -3.460 -6.853) 7.677 2.471 ( 0.000 -2.696 -0.326) 2.716 2.519 ( 0.000 0.445 -6.527) 6.542 2.719 ( 0.000 -5.604 -3.935) 6.848 2.722 ( 0.000 4.472 -1.250) 4.643 2.954 ( 0.000 -1.641 -0.725) 1.794 3.086 ( 0.000 -0.872 1.702) 1.912 3.398 ( 0.000 -6.959 -4.038) 8.046 5.149 ( 0.000 21.600 11.570) 24.503 5.642 ( 0.000 6.627 -3.329) 7.416 5.708 ( 0.000 13.847 29.181) 32.299 6.040 ( 0.000 10.159 37.262) 38.622 6.168 ( 0.000 0.854 26.253) 26.267 6.520 ( 0.000 11.646 30.037) 32.215 6.749 ( 0.000 -4.759 27.859) 28.263 6.827 ( 0.000 33.576 11.436) 35.470 7.200 ( 0.000 14.441 34.576) 37.470 7.463 ( 0.000 29.864 15.426) 33.613 7.695 ( 0.000 4.238 19.903) 20.349 8.108 ( 0.000 -7.885 -0.537) 7.904 8.331 ( 0.000 3.521 12.108) 12.609 8.490 ( 0.000 -5.086 2.915) 5.862 8.620 ( 0.000 6.295 5.102) 8.103 8.646 ( 0.000 6.460 22.198) 23.119 9.493 ( 0.000 -10.812 7.806) 13.335 9.751 ( 0.000 7.189 3.678) 8.075 9.847 ( 0.000 -5.750 -12.309) 13.586 10.046 ( 0.000 3.158 9.651) 10.154 10.278 ( 0.000 18.443 12.690) 22.387 11.070 ( 0.000 13.970 -9.505) 16.897 11.186 ( 0.000 -10.260 7.392) 12.646 11.461 ( 0.000 -10.904 11.838) 16.095 11.548 ( 0.000 -4.773 -14.791) 15.542 12.021 ( 0.000 -3.306 -10.308) 10.825 12.257 ( 0.000 -0.350 -12.070) 12.075 12.512 ( 0.000 -7.378 -5.795) 9.381 12.919 ( 0.000 -0.189 -25.701) 25.702 13.002 ( 0.000 -13.787 -27.010) 30.325 13.359 ( 0.000 -7.988 -18.060) 19.747 13.442 ( 0.000 -17.407 -10.144) 20.147 14.853 ( 0.000 6.470 12.291) 13.890 15.123 ( 0.000 8.965 1.516) 9.092 15.158 ( 0.000 13.058 7.925) 15.274 15.370 ( 0.000 -0.030 8.938) 8.938 15.565 ( 0.000 -10.572 6.710) 12.522 15.611 ( 0.000 -5.811 1.034) 5.902 15.814 ( 0.000 4.182 -2.155) 4.705 15.942 ( 0.000 -4.024 -2.939) 4.982 15.979 ( 0.000 1.766 -2.155) 2.786 16.148 ( 0.000 -1.265 -3.885) 4.086 16.154 ( 0.000 -11.165 -5.220) 12.325 16.251 ( 0.000 -2.274 -0.901) 2.446 22.995 ( 0.000 0.952 2.819) 2.976 23.155 ( 0.000 -2.532 14.317) 14.539 23.516 ( 0.000 7.684 -5.284) 9.325 24.233 ( 0.000 -12.977 -5.662) 14.158 ======================= Grid point 208 (72/120) ======================= q-point: ( 0.11 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 4.270 3.984 6.976) 9.098 2.051 ( -0.489 10.449 7.196) 12.697 2.166 ( -0.211 -6.421 -11.851) 13.480 2.222 ( -0.540 -5.622 -1.512) 5.846 2.389 ( 0.090 -4.014 -5.996) 7.216 2.476 ( 0.568 -2.166 -2.667) 3.482 2.528 ( -1.552 2.250 -4.908) 5.618 2.680 ( 0.539 -2.274 -6.152) 6.581 2.776 ( 1.686 -2.901 -0.967) 3.492 2.901 ( -4.463 -1.456 -0.435) 4.715 3.069 ( -1.378 -1.263 0.732) 2.007 3.366 ( -2.941 -6.439 -4.411) 8.340 5.076 ( -16.323 23.885 25.963) 38.872 5.535 ( -9.926 6.383 28.962) 31.274 5.670 ( -24.573 -0.305 33.077) 41.207 5.738 ( 5.356 9.417 -0.746) 10.859 6.195 ( -0.957 10.900 21.242) 23.894 6.444 ( 11.191 9.958 20.380) 25.294 6.804 ( -0.566 20.823 5.619) 21.575 6.988 ( -7.950 29.398 32.491) 44.532 7.123 ( 14.894 3.326 19.866) 25.051 7.497 ( 2.111 10.195 11.274) 15.346 7.772 ( 1.329 14.173 5.759) 15.356 8.082 ( -0.028 7.675 22.938) 24.188 8.371 ( 4.114 -5.382 4.081) 7.909 8.483 ( -2.298 12.684 4.039) 13.508 8.520 ( 2.210 2.203 -5.013) 5.905 9.090 ( 18.271 -3.970 7.524) 20.155 9.587 ( -12.177 4.027 -1.015) 12.865 9.593 ( 7.951 -6.110 12.289) 15.861 9.780 ( -5.569 -3.884 -13.662) 15.256 10.039 ( 2.299 3.200 11.229) 11.901 10.207 ( -5.121 17.036 4.873) 18.444 10.811 ( -22.966 -3.971 -4.633) 23.763 11.124 ( -4.784 4.050 4.038) 7.456 11.379 ( -0.216 -2.128 1.378) 2.545 11.549 ( -1.807 -2.882 0.655) 3.464 12.015 ( 3.562 -5.582 -3.320) 7.407 12.404 ( -15.630 3.765 -20.127) 25.759 12.534 ( 14.296 -2.759 -12.796) 19.384 12.858 ( -0.457 -17.293 -9.528) 19.750 12.919 ( -6.005 -5.028 -22.285) 23.621 13.349 ( 2.112 -13.617 -14.708) 20.155 13.477 ( 1.371 -21.383 -8.531) 23.063 14.923 ( 5.855 8.917 11.283) 15.527 15.064 ( -5.092 10.441 -0.563) 11.631 15.172 ( 0.248 10.168 4.544) 11.140 15.340 ( 0.203 1.040 8.414) 8.481 15.618 ( -0.199 -3.411 0.672) 3.482 15.705 ( 6.211 -6.134 2.699) 9.137 15.822 ( 3.820 -0.527 2.981) 4.874 15.935 ( 0.044 -1.029 -1.529) 1.843 16.009 ( -0.139 -6.694 -7.026) 9.706 16.106 ( -0.863 -3.212 -1.363) 3.594 16.168 ( 0.548 -5.214 -4.603) 6.977 16.238 ( -0.424 -1.917 -0.231) 1.977 23.028 ( 2.274 -0.387 1.368) 2.682 23.184 ( 2.678 -3.147 12.945) 13.589 23.425 ( -8.435 8.191 -6.455) 13.413 24.177 ( -5.229 -13.409 -6.458) 15.776 ======================= Grid point 209 (73/120) ======================= q-point: ( 0.22 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 3.481 0.633 5.651) 6.667 2.039 ( 0.005 8.420 -0.119) 8.421 2.147 ( -1.658 -3.651 -9.320) 10.146 2.229 ( 1.463 -2.761 -2.787) 4.187 2.386 ( -1.079 -5.343 -4.999) 7.396 2.422 ( -6.051 1.812 -2.618) 6.838 2.498 ( 0.918 -0.319 -6.036) 6.114 2.717 ( -6.723 -4.159 0.153) 7.907 2.751 ( 4.626 -4.398 -8.498) 10.628 2.855 ( 0.692 -4.270 -3.244) 5.407 3.041 ( -1.402 -0.600 -1.076) 1.866 3.286 ( -4.666 -4.859 -5.104) 8.452 4.490 ( -27.895 14.132 24.375) 39.648 4.980 ( -30.678 -4.758 26.060) 40.533 5.654 ( 11.561 16.088 5.226) 20.489 5.911 ( 7.857 22.710 -3.291) 24.255 6.341 ( 11.868 15.984 11.687) 23.085 6.704 ( 11.088 14.267 17.682) 25.281 6.802 ( 1.171 11.462 10.533) 15.610 6.944 ( 4.815 24.255 9.264) 26.406 7.355 ( 6.469 5.232 14.251) 16.501 7.533 ( 0.718 -1.472 7.996) 8.162 7.687 ( -9.087 7.032 0.469) 11.500 8.120 ( -2.258 19.157 7.231) 20.601 8.306 ( -6.035 4.819 -8.170) 11.243 8.396 ( -4.250 16.836 -0.828) 17.384 8.737 ( 8.467 7.061 3.779) 11.655 8.977 ( -21.663 0.842 -25.045) 33.124 9.424 ( 3.072 -7.737 -0.812) 8.364 9.550 ( -10.622 5.944 -3.644) 12.706 9.809 ( 2.868 -4.432 -6.138) 8.096 10.079 ( -2.713 9.054 -3.673) 10.140 10.306 ( 12.073 2.255 8.016) 14.666 10.461 ( -6.359 -3.342 14.775) 16.429 10.968 ( -10.680 1.415 -0.727) 10.798 11.406 ( 3.830 2.942 5.329) 7.192 11.653 ( 12.891 4.269 10.742) 17.314 11.930 ( -19.542 8.539 -24.845) 32.743 12.073 ( -3.013 -11.674 -2.085) 12.235 12.695 ( 0.085 -3.683 -9.319) 10.021 12.784 ( -6.546 -0.951 -15.806) 17.134 12.939 ( 7.037 -19.709 4.553) 21.417 13.469 ( 8.222 -23.032 -8.519) 25.897 13.494 ( 0.376 -30.118 -1.323) 30.149 14.930 ( -6.871 12.598 -5.743) 15.456 15.059 ( 6.502 10.676 10.018) 16.019 15.134 ( -4.634 7.084 -5.504) 10.097 15.393 ( 3.640 1.993 7.275) 8.375 15.629 ( 2.159 2.169 0.863) 3.179 15.690 ( -4.547 -3.678 0.370) 5.860 15.872 ( -4.386 -7.178 -2.333) 8.730 15.937 ( 0.815 0.495 -0.462) 1.059 15.992 ( 1.595 0.463 -0.298) 1.688 16.116 ( -0.217 -6.273 -3.955) 7.419 16.247 ( 2.102 -3.789 2.130) 4.828 16.271 ( 8.260 -6.200 3.644) 10.952 23.046 ( -1.271 -1.144 -2.696) 3.193 23.197 ( -11.715 9.392 -8.247) 17.131 23.261 ( 3.690 -5.063 7.622) 9.866 24.031 ( -8.621 -14.323 -8.337) 18.681 ======================= Grid point 210 (74/120) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -0.700 -0.495 -3.453) 3.558 2.007 ( -4.444 2.045 0.853) 4.966 2.148 ( 2.511 4.819 -7.229) 9.044 2.250 ( -0.478 -1.168 -4.523) 4.696 2.329 ( -2.408 -2.871 -6.005) 7.079 2.389 ( 1.958 -4.915 0.900) 5.367 2.461 ( -5.000 -1.856 -2.408) 5.851 2.628 ( -0.012 -0.682 -3.612) 3.676 2.793 ( -1.236 -5.826 1.161) 6.068 2.925 ( 5.158 -8.173 -10.651) 14.383 2.975 ( -6.341 1.815 0.460) 6.612 3.184 ( -4.838 -3.914 -4.552) 7.710 4.244 ( 6.930 10.028 -18.702) 22.324 4.639 ( 3.112 -5.057 -19.107) 20.009 5.898 ( 9.201 24.090 0.847) 25.801 5.985 ( -1.101 36.375 -4.930) 36.724 6.546 ( 2.624 18.365 4.664) 19.129 6.742 ( -1.835 5.307 4.067) 6.934 6.935 ( 5.120 11.679 -9.992) 16.201 7.112 ( -8.680 4.931 -13.058) 16.437 7.243 ( -7.095 -1.367 -6.631) 9.807 7.385 ( -6.847 2.796 -1.518) 7.550 7.685 ( 6.513 -4.761 18.167) 19.878 7.757 ( -21.712 4.295 -15.657) 27.111 8.213 ( -6.614 17.990 -2.799) 19.371 8.316 ( -2.425 25.098 2.404) 25.330 8.508 ( -8.759 27.448 -12.291) 31.324 8.998 ( 4.316 -1.710 2.273) 5.169 9.473 ( 1.459 -0.503 -15.867) 15.942 9.511 ( 2.667 8.412 10.740) 13.900 9.880 ( 5.547 1.407 -0.555) 5.749 10.026 ( -1.427 6.791 -5.544) 8.882 10.325 ( -1.236 -2.073 2.853) 3.737 10.413 ( -7.255 3.013 3.694) 8.681 10.832 ( 1.590 1.782 -13.276) 13.489 11.528 ( 2.545 3.946 4.114) 6.243 11.658 ( -2.163 7.944 -6.481) 10.478 11.914 ( 2.617 -12.409 -0.801) 12.707 12.094 ( 8.382 2.542 7.703) 11.664 12.503 ( -14.503 -3.221 -13.958) 20.385 12.756 ( 4.671 -3.775 5.795) 8.346 13.127 ( 10.332 -25.960 9.902) 29.643 13.476 ( -2.316 -31.000 6.747) 31.810 13.608 ( 3.437 -32.347 -3.016) 32.668 14.807 ( -4.289 13.933 -11.678) 18.679 14.994 ( -7.575 7.911 -14.158) 17.900 15.175 ( 3.537 10.708 6.383) 12.958 15.412 ( -3.630 -2.640 1.244) 4.657 15.614 ( 0.163 -1.984 1.551) 2.524 15.694 ( 2.912 -0.775 -0.466) 3.049 15.806 ( -0.399 4.132 -0.366) 4.167 15.925 ( -1.663 4.246 -1.508) 4.803 16.049 ( 3.492 -2.531 3.727) 5.700 16.120 ( 1.550 -4.148 3.035) 5.368 16.266 ( 0.082 -4.170 2.033) 4.640 16.409 ( 2.652 -10.283 11.451) 15.617 22.950 ( -8.392 7.946 -11.807) 16.521 22.986 ( -6.471 3.885 -10.469) 12.906 23.362 ( 5.656 -8.390 2.913) 10.530 23.840 ( -9.509 -14.816 -9.745) 20.122 ======================= Grid point 211 (75/120) ======================= q-point: ( 0.44 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 0.144 -0.824 -7.053) 7.102 1.920 ( -3.107 0.668 -3.587) 4.792 2.188 ( 0.930 4.330 -3.911) 5.909 2.218 ( -2.518 0.580 -6.097) 6.622 2.305 ( 1.996 -3.160 -0.767) 3.815 2.371 ( -3.712 -3.070 -2.385) 5.375 2.487 ( 6.591 -4.437 -1.393) 8.066 2.616 ( -3.858 -3.501 -1.280) 5.365 2.763 ( 0.085 -3.010 1.976) 3.602 2.824 ( -5.814 2.208 1.716) 6.451 3.007 ( 3.185 -7.553 -5.737) 10.005 3.085 ( -4.623 -5.523 -3.632) 8.067 4.735 ( 37.547 12.329 -50.272) 63.946 5.145 ( 39.659 -4.524 -54.068) 67.206 5.593 ( -32.685 23.927 -38.322) 55.762 6.124 ( -18.991 11.968 -23.960) 32.833 6.177 ( -15.675 13.233 -24.512) 31.964 6.413 ( -17.501 12.318 -20.295) 29.494 6.841 ( 1.767 9.705 -1.857) 10.038 6.908 ( -5.632 14.577 -10.168) 18.643 7.324 ( 5.024 -0.456 2.435) 5.601 7.381 ( 1.300 -5.549 4.549) 7.292 7.696 ( 8.154 -0.234 14.047) 16.244 7.783 ( 1.230 -2.964 18.909) 19.179 8.149 ( 3.167 20.117 0.101) 20.365 8.256 ( -4.126 30.259 3.340) 30.721 8.487 ( 5.379 30.991 -9.780) 32.940 8.780 ( -20.805 11.173 -14.229) 27.571 9.525 ( 5.569 13.749 0.806) 14.856 9.584 ( 1.131 9.634 6.153) 11.488 10.069 ( 6.930 2.824 -6.284) 9.772 10.073 ( 9.574 1.527 -0.687) 9.720 10.223 ( -8.638 -0.529 -3.470) 9.324 10.268 ( -6.926 2.304 -4.056) 8.350 11.037 ( 16.135 -3.299 -6.408) 17.672 11.364 ( -13.361 -0.641 -4.526) 14.121 11.853 ( 12.973 1.682 -2.187) 13.263 11.938 ( 4.433 -3.605 -0.988) 5.799 12.094 ( -7.912 0.531 -3.156) 8.535 12.183 ( -15.203 5.854 -3.473) 16.657 13.034 ( 17.611 -16.006 16.675) 29.059 13.279 ( -1.734 -26.409 10.868) 28.610 13.432 ( 3.059 -32.577 10.758) 34.443 13.576 ( -6.203 -36.342 4.148) 37.101 14.775 ( 1.318 13.393 -16.086) 20.973 14.852 ( -5.763 10.819 -17.330) 21.228 15.218 ( 2.099 5.119 1.158) 5.652 15.297 ( -5.564 -0.065 -1.107) 5.673 15.665 ( 3.464 0.329 -2.565) 4.323 15.726 ( -1.188 -1.436 -4.263) 4.653 15.830 ( 2.309 8.626 2.964) 9.409 15.882 ( -2.342 6.718 0.311) 7.121 16.170 ( 8.316 -5.776 11.111) 15.033 16.182 ( 4.242 -5.006 7.091) 9.661 16.244 ( -2.230 -3.735 3.004) 5.286 16.358 ( -7.151 -10.716 16.258) 20.743 22.834 ( -1.850 9.107 -15.804) 18.334 22.869 ( -4.535 5.879 -14.113) 15.947 23.492 ( 7.052 -11.674 -3.825) 14.165 23.653 ( -8.568 -14.024 -8.559) 18.529 ======================= Grid point 216 (76/120) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.000 8.381 -2.892) 8.866 2.031 ( 0.000 -7.321 -12.015) 14.070 2.180 ( 0.000 0.823 -4.447) 4.522 2.205 ( 0.000 1.222 -1.009) 1.585 2.369 ( 0.000 3.783 0.728) 3.852 2.466 ( 0.000 -4.920 -8.062) 9.444 2.474 ( 0.000 3.666 -2.013) 4.182 2.596 ( 0.000 -7.245 2.530) 7.674 2.809 ( 0.000 4.594 -0.690) 4.646 2.894 ( 0.000 -4.139 -0.920) 4.240 3.134 ( 0.000 5.251 -1.408) 5.437 3.259 ( 0.000 -7.335 -3.358) 8.067 5.474 ( 0.000 12.550 -0.181) 12.551 5.637 ( 0.000 -4.774 -3.926) 6.181 5.932 ( 0.000 9.887 30.248) 31.823 6.092 ( 0.000 -6.774 29.337) 30.109 6.268 ( 0.000 13.332 41.099) 43.208 6.527 ( 0.000 -13.292 37.093) 39.403 6.765 ( 0.000 13.178 32.223) 34.814 6.974 ( 0.000 -7.122 28.352) 29.233 7.716 ( 0.000 17.710 16.113) 23.943 7.805 ( 0.000 6.773 13.775) 15.350 7.822 ( 0.000 5.462 14.153) 15.171 7.955 ( 0.000 -8.305 7.818) 11.406 8.414 ( 0.000 2.236 17.011) 17.158 8.433 ( 0.000 -0.900 6.965) 7.023 8.848 ( 0.000 17.254 13.638) 21.993 9.023 ( 0.000 22.494 -0.417) 22.498 9.279 ( 0.000 -3.006 8.604) 9.114 9.644 ( 0.000 -16.977 -14.839) 22.548 9.940 ( 0.000 11.662 13.693) 17.986 10.086 ( 0.000 -1.228 16.170) 16.216 10.650 ( 0.000 19.532 9.003) 21.507 10.968 ( 0.000 -13.242 5.870) 14.484 11.285 ( 0.000 1.406 -3.640) 3.902 11.359 ( 0.000 10.940 -0.720) 10.963 11.419 ( 0.000 -9.408 -11.944) 15.204 11.719 ( 0.000 -25.531 0.398) 25.534 12.258 ( 0.000 0.962 -6.908) 6.975 12.321 ( 0.000 -6.972 -2.111) 7.284 12.923 ( 0.000 2.631 -34.220) 34.321 12.933 ( 0.000 1.525 -25.317) 25.363 13.177 ( 0.000 -8.052 -13.894) 16.058 13.196 ( 0.000 -7.814 -22.155) 23.493 15.020 ( 0.000 11.532 9.621) 15.018 15.273 ( 0.000 -12.108 8.467) 14.774 15.301 ( 0.000 9.246 1.308) 9.338 15.413 ( 0.000 3.855 0.026) 3.855 15.440 ( 0.000 4.842 1.123) 4.971 15.483 ( 0.000 -6.213 1.600) 6.415 15.806 ( 0.000 -4.412 -2.500) 5.071 15.830 ( 0.000 -6.254 1.548) 6.443 16.005 ( 0.000 4.157 -2.857) 5.044 16.096 ( 0.000 -4.156 -3.865) 5.676 16.110 ( 0.000 3.715 2.315) 4.377 16.190 ( 0.000 -3.989 0.418) 4.011 23.034 ( 0.000 2.966 4.522) 5.408 23.098 ( 0.000 -3.382 8.907) 9.528 23.705 ( 0.000 12.066 -5.453) 13.241 23.964 ( 0.000 -14.510 -5.463) 15.505 ======================= Grid point 217 (77/120) ======================= q-point: ( 0.11 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 2.350 7.530 -2.033) 8.146 2.041 ( 0.836 -6.402 -11.055) 12.802 2.172 ( -0.554 1.664 -5.080) 5.374 2.210 ( 0.332 -0.235 -1.538) 1.591 2.371 ( 0.126 4.986 -0.455) 5.008 2.461 ( 0.848 -1.066 -7.388) 7.513 2.531 ( 3.303 -0.678 -4.771) 5.842 2.599 ( -0.213 -5.303 1.199) 5.441 2.758 ( -4.855 1.942 0.580) 5.261 2.833 ( -5.492 -4.796 -0.287) 7.297 3.118 ( -1.153 5.397 -2.543) 6.077 3.239 ( -1.778 -6.780 -4.083) 8.112 5.435 ( -26.789 13.649 31.647) 43.652 5.606 ( -34.288 -4.201 42.960) 55.126 5.663 ( 0.034 4.867 10.969) 12.000 5.759 ( 10.231 -3.628 -2.682) 11.181 6.399 ( 5.869 9.083 19.288) 22.113 6.505 ( 11.645 -1.514 19.579) 22.831 6.965 ( 1.026 4.399 23.794) 24.219 7.039 ( 12.256 -3.644 30.119) 32.720 7.614 ( -6.328 14.111 9.474) 18.136 7.663 ( -4.057 5.908 8.051) 10.779 7.932 ( -0.797 6.468 9.525) 11.541 8.105 ( 4.098 -9.366 10.402) 14.585 8.404 ( 3.581 8.139 12.715) 15.515 8.501 ( 8.593 -1.347 8.534) 12.185 9.015 ( 3.064 29.219 -5.876) 29.961 9.157 ( 13.109 11.641 4.703) 18.151 9.437 ( 15.946 -8.722 13.435) 22.602 9.564 ( -9.277 -12.393 -16.549) 22.661 9.814 ( -8.947 13.443 9.715) 18.845 10.040 ( -1.788 -5.325 14.034) 15.116 10.559 ( -8.963 17.106 2.217) 19.439 10.746 ( -16.779 -3.470 -0.519) 17.142 11.199 ( -7.876 5.985 8.407) 12.982 11.379 ( 5.610 -0.573 -0.787) 5.694 11.446 ( 1.734 -4.272 -2.005) 5.028 11.691 ( 0.405 -25.992 4.627) 26.404 12.432 ( 6.287 -0.847 -4.001) 7.500 12.471 ( 11.899 -3.649 -9.365) 15.576 12.695 ( -14.845 6.819 -27.429) 31.925 12.865 ( -8.017 -5.124 -25.107) 26.850 13.120 ( -5.968 -9.254 -18.621) 21.633 13.140 ( -2.532 -9.799 -12.386) 15.995 15.098 ( 5.325 9.989 8.548) 14.185 15.232 ( -3.795 2.584 0.932) 4.685 15.320 ( -0.305 5.578 2.154) 5.987 15.420 ( 3.061 3.299 0.235) 4.506 15.502 ( 0.669 -6.331 1.805) 6.617 15.530 ( 7.168 -6.106 2.658) 9.784 15.830 ( 2.379 -0.828 -1.237) 2.806 15.865 ( 3.357 -4.800 1.884) 6.153 15.970 ( -2.508 3.505 -2.885) 5.186 16.054 ( -2.787 -3.769 -3.739) 5.996 16.131 ( 1.175 1.408 1.651) 2.468 16.185 ( -0.374 -3.348 0.667) 3.434 23.050 ( 1.166 2.603 3.664) 4.644 23.115 ( 1.526 -3.853 7.881) 8.904 23.627 ( -7.336 12.768 -6.467) 16.083 23.898 ( -6.151 -15.142 -6.362) 17.538 ======================= Grid point 218 (78/120) ======================= q-point: ( 0.22 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 2.103 6.109 -0.594) 6.488 2.058 ( 0.644 -3.596 -8.559) 9.306 2.172 ( 1.035 1.902 -8.652) 8.919 2.220 ( 1.013 -1.997 -3.173) 3.883 2.359 ( -1.530 6.123 -0.148) 6.313 2.470 ( -2.317 -0.939 -6.874) 7.314 2.520 ( -5.021 4.646 -0.720) 6.879 2.624 ( 1.735 -3.778 -2.782) 5.002 2.663 ( 0.048 -4.266 -7.242) 8.405 2.707 ( -5.597 -8.502 1.853) 10.347 3.097 ( -1.016 4.844 -4.350) 6.590 3.194 ( -2.646 -4.990 -5.283) 7.734 4.708 ( -30.980 9.528 25.231) 41.074 4.866 ( -31.359 -7.134 25.651) 41.137 5.920 ( 16.593 10.951 -1.330) 19.925 6.053 ( 16.501 -2.269 -4.328) 17.209 6.615 ( 12.786 12.474 13.506) 22.394 6.795 ( 15.224 -5.534 14.366) 21.651 7.009 ( 3.412 15.175 19.461) 24.913 7.223 ( 3.570 -4.599 24.419) 25.104 7.480 ( -5.414 9.457 -3.290) 11.383 7.561 ( -7.312 0.703 -0.008) 7.346 7.794 ( -13.573 8.055 2.687) 16.010 8.009 ( -12.695 -12.886 -1.833) 18.182 8.551 ( 6.560 11.499 -0.260) 13.241 8.717 ( 8.516 -5.756 0.427) 10.287 8.933 ( -7.735 20.370 -12.110) 24.928 9.198 ( -20.956 -1.306 -15.186) 25.913 9.340 ( 7.201 15.064 -4.572) 17.312 9.663 ( 2.622 -9.308 6.664) 11.744 9.847 ( 11.686 22.363 6.623) 26.087 10.173 ( 8.948 -5.971 4.607) 11.702 10.350 ( -5.542 7.251 3.316) 9.710 10.458 ( -9.145 -0.541 7.504) 11.842 11.074 ( -4.964 14.150 10.524) 18.320 11.491 ( 2.324 -0.989 2.110) 3.292 11.532 ( 7.953 -12.260 9.861) 17.629 11.759 ( 6.694 -18.759 4.914) 20.515 12.190 ( -18.045 18.115 -24.262) 35.248 12.527 ( -5.128 -13.250 -11.139) 18.053 12.699 ( 2.416 -3.263 -5.520) 6.852 12.772 ( 1.575 -5.423 -9.394) 10.961 12.974 ( -8.218 -10.075 -13.322) 18.615 13.112 ( 0.456 -15.955 -7.192) 17.507 15.124 ( -3.610 6.348 -1.156) 7.393 15.184 ( -1.051 0.775 -0.436) 1.377 15.274 ( -1.670 10.509 0.268) 10.644 15.470 ( -3.224 -2.751 -0.875) 4.327 15.548 ( 6.566 -0.641 1.769) 6.830 15.624 ( 0.888 -4.131 1.877) 4.623 15.875 ( 1.584 5.118 0.988) 5.448 15.934 ( 3.060 -0.916 2.089) 3.817 15.990 ( 3.615 -1.024 1.129) 3.924 16.009 ( -0.405 -4.482 -1.624) 4.784 16.166 ( 2.166 -2.249 2.934) 4.284 16.183 ( 0.647 -3.375 0.775) 3.523 23.064 ( -0.148 3.051 0.433) 3.085 23.151 ( 1.824 -5.625 4.492) 7.426 23.430 ( -11.004 14.368 -9.154) 20.281 23.730 ( -9.636 -16.504 -8.640) 20.973 ======================= Grid point 219 (79/120) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -0.205 6.621 -3.858) 7.666 2.064 ( -0.122 0.034 -4.335) 4.337 2.196 ( -0.903 1.101 -11.574) 11.662 2.250 ( 0.760 -3.271 -5.036) 6.053 2.317 ( -1.962 3.658 1.417) 4.386 2.362 ( -2.409 1.835 -1.680) 3.463 2.423 ( -4.647 1.128 0.359) 4.795 2.586 ( -4.264 -7.837 -0.588) 8.941 2.682 ( 3.473 -0.512 -2.522) 4.322 2.762 ( 5.402 -7.262 -8.909) 12.700 3.041 ( -5.651 4.062 -1.741) 7.174 3.116 ( -5.391 -3.629 -3.503) 7.382 4.405 ( 5.173 7.326 -19.639) 21.590 4.532 ( 3.522 -6.137 -19.183) 20.446 6.259 ( 14.637 13.558 -0.485) 19.957 6.375 ( 13.051 4.387 -3.312) 14.161 6.782 ( -4.431 10.452 2.571) 11.640 6.912 ( -24.025 6.154 -2.814) 24.960 7.081 ( 1.726 -0.796 0.682) 2.019 7.118 ( -1.501 -1.104 2.007) 2.739 7.273 ( -13.037 8.623 -24.592) 29.139 7.437 ( -13.915 1.437 -2.395) 14.192 7.525 ( 5.210 -7.065 5.143) 10.174 7.637 ( -16.663 -10.677 -4.857) 20.377 8.504 ( -4.279 18.106 -13.998) 23.283 8.780 ( -1.186 -6.142 -10.843) 12.519 8.901 ( -0.181 15.328 8.476) 17.516 8.998 ( 0.996 1.749 9.388) 9.601 9.559 ( 12.842 12.865 -5.023) 18.859 9.741 ( 6.770 -1.319 2.713) 7.412 10.077 ( 2.629 15.150 -4.112) 15.917 10.113 ( -0.827 11.753 -1.989) 11.948 10.285 ( 0.463 3.745 2.320) 4.429 10.540 ( 7.323 1.588 7.217) 10.403 10.964 ( -6.041 15.617 -1.479) 16.810 11.424 ( -6.495 -21.185 4.280) 22.568 11.767 ( 7.381 3.822 0.846) 8.355 11.823 ( 2.427 6.363 -2.947) 7.420 12.101 ( 8.927 0.402 2.821) 9.370 12.392 ( -6.523 -15.960 -8.807) 19.361 12.660 ( -2.855 -9.823 -2.561) 10.545 12.793 ( -7.234 -23.462 -7.073) 25.551 12.813 ( -0.145 4.839 1.234) 4.995 13.122 ( -1.375 -21.416 1.655) 21.523 15.050 ( -2.808 9.896 -8.086) 13.084 15.118 ( -3.632 3.407 -8.363) 9.734 15.260 ( -1.866 2.007 -1.458) 3.104 15.364 ( -6.217 -5.681 -5.854) 10.257 15.647 ( 4.438 4.151 7.254) 9.463 15.669 ( 4.573 0.513 3.111) 5.555 15.930 ( 3.738 4.998 2.594) 6.758 15.991 ( 1.878 0.877 0.965) 2.286 15.998 ( -0.231 1.185 4.594) 4.750 16.054 ( 1.623 -3.694 5.800) 7.066 16.172 ( -0.714 -3.615 2.400) 4.397 16.224 ( 0.688 -7.931 5.458) 9.652 23.043 ( -1.613 6.017 -5.072) 8.033 23.186 ( 0.029 -5.095 -4.837) 7.025 23.216 ( -7.342 11.391 -8.639) 16.071 23.528 ( -9.480 -17.255 -10.896) 22.501 ======================= Grid point 220 (80/120) ======================= q-point: ( 0.44 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 1.386 8.385 -6.264) 10.558 2.034 ( -3.166 8.267 -4.408) 9.889 2.153 ( 0.233 -6.194 -6.567) 9.030 2.210 ( -3.992 -6.684 -3.974) 8.741 2.308 ( 1.207 4.402 0.450) 4.586 2.349 ( -2.544 5.632 1.389) 6.335 2.410 ( 4.117 -5.069 -2.615) 7.034 2.498 ( -4.308 -8.185 0.354) 9.256 2.767 ( 4.777 3.092 -1.471) 5.878 2.857 ( 2.952 -4.388 -3.869) 6.553 2.897 ( -5.329 2.015 -1.315) 5.847 2.982 ( -6.641 -5.208 -2.510) 8.805 4.914 ( 40.930 7.477 -53.926) 68.111 5.040 ( 41.937 -6.003 -54.582) 69.094 5.900 ( -48.910 10.637 -50.846) 71.349 6.057 ( -51.798 -6.446 -52.496) 74.029 6.603 ( 11.335 18.403 -0.299) 21.616 6.676 ( 5.173 11.466 -3.960) 13.187 6.974 ( -1.149 1.587 3.040) 3.617 7.071 ( -10.373 -5.768 1.833) 12.009 7.306 ( 0.786 3.960 2.730) 4.873 7.325 ( 2.065 7.209 2.745) 7.985 7.496 ( 3.439 -11.928 8.133) 14.841 7.587 ( -1.617 -13.104 10.653) 16.965 8.566 ( 9.840 20.310 -4.942) 23.103 8.783 ( -2.354 10.551 0.964) 10.854 8.849 ( -3.494 3.554 1.297) 5.150 8.930 ( -5.622 3.677 3.029) 7.369 9.799 ( 9.974 12.208 -8.920) 18.113 9.905 ( 4.877 8.982 0.753) 10.248 10.012 ( -0.485 -2.262 -12.165) 12.383 10.121 ( -4.677 -4.874 -2.901) 7.351 10.419 ( 10.322 31.717 0.834) 33.365 10.609 ( -4.620 31.639 6.611) 32.651 10.943 ( 9.393 -9.909 -5.883) 14.867 11.224 ( -13.298 -18.613 1.798) 22.946 11.818 ( 6.803 9.240 -11.207) 16.039 12.003 ( -2.809 6.303 -1.697) 7.106 12.119 ( 3.110 -3.549 -1.611) 4.986 12.294 ( -6.813 -9.208 0.666) 11.474 12.718 ( 1.608 -19.497 3.084) 19.805 12.751 ( 9.534 -18.310 7.171) 21.853 12.787 ( -0.713 -11.981 4.853) 12.946 13.010 ( -9.723 -22.111 7.708) 25.354 15.025 ( 0.496 11.820 -12.184) 16.983 15.059 ( -2.300 9.951 -12.554) 16.184 15.214 ( -0.994 -4.741 -6.092) 7.783 15.249 ( -4.213 -6.450 -7.962) 11.079 15.761 ( 4.342 6.662 6.895) 10.525 15.775 ( 4.932 7.558 9.398) 13.030 15.969 ( -1.151 -0.026 9.730) 9.798 15.988 ( -0.669 0.692 7.267) 7.330 16.029 ( 3.613 2.201 2.443) 4.886 16.084 ( 0.533 -7.729 6.679) 10.229 16.145 ( -1.216 -4.389 2.822) 5.358 16.182 ( -3.703 -6.833 5.238) 9.372 23.020 ( -0.013 10.541 -10.673) 15.001 23.063 ( -4.539 13.947 -13.603) 20.005 23.250 ( 3.778 -13.018 -7.021) 15.265 23.358 ( -6.808 -16.190 -10.884) 20.662 ======================= Grid point 252 (81/120) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 0.000 0.000 14.802) 14.802 2.119 ( 0.000 0.000 14.815) 14.815 2.221 ( 0.000 0.000 -3.964) 3.964 2.301 ( 0.000 0.000 -5.900) 5.900 2.407 ( 0.000 0.000 -3.252) 3.252 2.569 ( 0.000 0.000 0.011) 0.011 2.635 ( 0.000 0.000 -11.177) 11.177 2.686 ( 0.000 0.000 2.865) 2.865 2.712 ( 0.000 0.000 -6.208) 6.208 2.854 ( 0.000 0.000 -4.424) 4.424 3.327 ( 0.000 0.000 7.506) 7.506 3.546 ( 0.000 0.000 -4.263) 4.263 4.439 ( 0.000 0.000 3.621) 3.621 4.454 ( 0.000 0.000 1.366) 1.366 5.805 ( 0.000 0.000 26.695) 26.695 6.015 ( 0.000 0.000 2.135) 2.135 6.040 ( 0.000 0.000 2.999) 2.999 6.451 ( 0.000 0.000 -3.819) 3.819 6.905 ( 0.000 0.000 43.228) 43.228 7.437 ( 0.000 0.000 30.748) 30.748 7.457 ( 0.000 0.000 17.123) 17.123 7.526 ( 0.000 0.000 18.989) 18.989 7.929 ( 0.000 0.000 7.112) 7.112 8.049 ( 0.000 0.000 -14.406) 14.406 8.577 ( 0.000 0.000 -4.808) 4.808 8.593 ( 0.000 0.000 -6.641) 6.641 8.705 ( 0.000 0.000 16.968) 16.968 9.304 ( 0.000 0.000 30.908) 30.908 9.506 ( 0.000 0.000 16.593) 16.593 9.603 ( 0.000 0.000 -14.237) 14.237 9.841 ( 0.000 0.000 -0.786) 0.786 9.944 ( 0.000 0.000 -3.963) 3.963 10.196 ( 0.000 0.000 18.980) 18.980 10.732 ( 0.000 0.000 -6.421) 6.421 11.175 ( 0.000 0.000 -31.992) 31.992 11.449 ( 0.000 0.000 -24.759) 24.759 11.736 ( 0.000 0.000 15.782) 15.782 11.915 ( 0.000 0.000 8.703) 8.703 12.283 ( 0.000 0.000 22.031) 22.031 12.290 ( 0.000 0.000 -15.663) 15.663 12.452 ( 0.000 0.000 -23.055) 23.055 13.241 ( 0.000 0.000 -4.545) 4.545 13.331 ( 0.000 0.000 -7.988) 7.988 13.449 ( 0.000 0.000 -25.330) 25.330 14.981 ( 0.000 0.000 5.084) 5.084 15.066 ( 0.000 0.000 19.798) 19.798 15.070 ( 0.000 0.000 7.470) 7.470 15.547 ( 0.000 0.000 -2.401) 2.401 15.691 ( 0.000 0.000 -8.308) 8.308 15.755 ( 0.000 0.000 -7.731) 7.731 15.836 ( 0.000 0.000 9.114) 9.114 15.892 ( 0.000 0.000 6.612) 6.612 16.016 ( 0.000 0.000 1.294) 1.294 16.104 ( 0.000 0.000 -3.712) 3.712 16.228 ( 0.000 0.000 -2.868) 2.868 16.260 ( 0.000 0.000 -8.957) 8.957 23.088 ( 0.000 0.000 4.629) 4.629 23.281 ( 0.000 0.000 -5.157) 5.157 23.616 ( 0.000 0.000 22.039) 22.039 24.326 ( 0.000 0.000 -12.961) 12.961 ======================= Grid point 253 (82/120) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -5.374 0.000 10.430) 11.733 2.103 ( 3.028 0.000 13.469) 13.805 2.210 ( -0.492 0.000 -5.743) 5.764 2.378 ( 4.167 0.000 -2.193) 4.709 2.400 ( -0.878 0.000 -2.870) 3.002 2.590 ( 2.189 0.000 -1.244) 2.518 2.637 ( -0.012 0.000 -10.478) 10.478 2.670 ( -1.321 0.000 2.444) 2.778 2.683 ( -2.548 0.000 -5.520) 6.079 2.835 ( -1.376 0.000 -4.060) 4.287 3.326 ( 0.133 0.000 7.042) 7.043 3.525 ( -2.089 0.000 -3.956) 4.474 4.369 ( -7.131 0.000 6.034) 9.341 4.438 ( -2.020 0.000 0.606) 2.109 5.837 ( 1.978 0.000 26.316) 26.391 6.050 ( 2.486 0.000 8.604) 8.956 6.157 ( 9.796 0.000 0.813) 9.829 6.473 ( -1.995 0.000 3.972) 4.444 6.687 ( -17.844 0.000 36.910) 40.996 6.855 ( -36.059 0.000 29.503) 46.591 7.562 ( 1.134 0.000 11.637) 11.692 7.609 ( -12.286 0.000 3.771) 12.851 7.717 ( 3.938 0.000 4.211) 5.765 8.309 ( -2.174 0.000 14.609) 14.770 8.410 ( -3.779 0.000 -10.492) 11.152 8.434 ( -11.304 0.000 13.763) 17.810 8.481 ( -11.587 0.000 0.116) 11.587 9.304 ( -30.296 0.000 -23.491) 38.336 9.385 ( -7.155 0.000 2.626) 7.622 9.640 ( 4.072 0.000 2.411) 4.732 9.718 ( 3.348 0.000 2.655) 4.273 9.938 ( -1.688 0.000 -5.064) 5.338 10.080 ( -5.198 0.000 11.597) 12.708 10.751 ( 13.334 0.000 8.604) 15.869 11.026 ( -34.141 0.000 -29.178) 44.911 11.442 ( 17.229 0.000 -2.746) 17.447 11.669 ( -6.117 0.000 14.154) 15.420 11.952 ( -9.694 0.000 -3.180) 10.203 12.164 ( -0.195 0.000 -4.480) 4.484 12.476 ( 15.228 0.000 14.616) 21.108 12.509 ( 1.223 0.000 -22.893) 22.926 13.300 ( 8.416 0.000 3.292) 9.037 13.558 ( 17.769 0.000 -9.145) 19.984 13.585 ( 12.849 0.000 -24.583) 27.738 14.842 ( -11.712 0.000 4.047) 12.391 15.024 ( -6.281 0.000 0.395) 6.293 15.041 ( -1.920 0.000 20.268) 20.358 15.508 ( -1.958 0.000 1.427) 2.423 15.631 ( -3.633 0.000 -1.989) 4.142 15.753 ( -0.292 0.000 -6.839) 6.845 15.939 ( 4.097 0.000 6.912) 8.035 15.950 ( 8.925 0.000 4.005) 9.783 16.143 ( -3.101 0.000 -5.639) 6.435 16.160 ( 4.561 0.000 -3.693) 5.869 16.168 ( -3.162 0.000 -4.391) 5.411 16.208 ( 6.077 0.000 -2.582) 6.603 23.083 ( -1.397 0.000 0.524) 1.492 23.174 ( -10.142 0.000 -4.372) 11.044 23.624 ( 0.747 0.000 20.057) 20.071 24.277 ( -4.621 0.000 -12.411) 13.243 ======================= Grid point 254 (83/120) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -4.101 0.000 5.795) 7.099 2.166 ( 2.114 0.000 8.581) 8.837 2.179 ( -2.841 0.000 -8.035) 8.522 2.372 ( -1.671 0.000 -4.596) 4.890 2.414 ( -0.951 0.000 0.598) 1.124 2.616 ( -2.086 0.000 0.524) 2.150 2.620 ( -1.493 0.000 -2.191) 2.651 2.651 ( -0.290 0.000 -5.956) 5.963 2.667 ( 3.877 0.000 -2.179) 4.447 2.826 ( 0.871 0.000 -6.020) 6.083 3.348 ( 2.390 0.000 4.431) 5.034 3.465 ( -3.281 0.000 -2.735) 4.271 4.089 ( -21.761 0.000 15.302) 26.602 4.365 ( -5.236 0.000 -2.029) 5.615 5.680 ( -26.750 0.000 29.807) 40.050 5.752 ( -39.819 0.000 38.647) 55.490 6.073 ( -9.127 0.000 21.621) 23.468 6.395 ( 11.760 0.000 1.304) 11.832 6.492 ( 5.867 0.000 10.345) 11.893 6.624 ( -0.864 0.000 -13.881) 13.908 7.194 ( -21.702 0.000 -13.145) 25.372 7.469 ( -35.987 0.000 -39.396) 53.359 7.649 ( -7.756 0.000 4.689) 9.063 7.819 ( -14.165 0.000 37.105) 39.717 8.137 ( -20.059 0.000 -12.562) 23.668 8.299 ( -1.061 0.000 17.323) 17.356 8.719 ( 18.011 0.000 -2.019) 18.124 8.779 ( -7.974 0.000 -7.577) 11.000 9.324 ( -6.047 0.000 -16.065) 17.166 9.549 ( -1.775 0.000 6.446) 6.686 9.736 ( -19.011 0.000 -21.695) 28.846 9.927 ( 6.440 0.000 -10.508) 12.324 10.054 ( 1.115 0.000 8.924) 8.994 10.382 ( -17.663 0.000 -16.944) 24.476 11.086 ( 15.168 0.000 21.568) 26.368 11.496 ( -9.577 0.000 8.588) 12.864 11.658 ( -14.318 0.000 -0.517) 14.327 11.808 ( 15.813 0.000 -1.407) 15.875 12.171 ( -1.646 0.000 -5.169) 5.425 12.475 ( -4.462 0.000 -19.011) 19.528 12.840 ( 21.295 0.000 23.277) 31.548 13.571 ( 16.654 0.000 11.164) 20.049 13.909 ( 15.810 0.000 -19.414) 25.037 13.974 ( 21.375 0.000 -9.335) 23.325 14.551 ( -15.512 0.000 0.022) 15.512 14.802 ( -14.081 0.000 -9.701) 17.099 14.990 ( -3.239 0.000 20.530) 20.784 15.516 ( 2.573 0.000 5.520) 6.090 15.598 ( -0.182 0.000 -2.732) 2.738 15.744 ( -0.472 0.000 -4.995) 5.017 15.903 ( -10.690 0.000 -3.498) 11.247 15.945 ( -13.279 0.000 -9.295) 16.209 16.040 ( 5.304 0.000 6.991) 8.775 16.221 ( 9.496 0.000 6.783) 11.670 16.254 ( 3.963 0.000 -3.220) 5.106 16.513 ( 16.661 0.000 -1.493) 16.728 22.888 ( -16.608 0.000 -3.779) 17.033 22.987 ( -8.647 0.000 -7.228) 11.270 23.645 ( 1.250 0.000 14.680) 14.733 24.148 ( -7.617 0.000 -10.923) 13.316 ======================= Grid point 255 (84/120) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -1.560 0.000 -0.726) 1.721 2.096 ( -4.995 0.000 -11.366) 12.416 2.169 ( -1.301 0.000 1.099) 1.703 2.315 ( -4.564 0.000 -8.074) 9.275 2.360 ( -2.913 0.000 6.300) 6.941 2.552 ( -3.916 0.000 5.674) 6.894 2.637 ( 3.456 0.000 3.583) 4.978 2.683 ( 3.619 0.000 -6.878) 7.772 2.753 ( 3.392 0.000 -0.382) 3.413 2.856 ( 1.346 0.000 -9.124) 9.223 3.367 ( -1.894 0.000 1.326) 2.312 3.495 ( 8.518 0.000 -3.012) 9.035 3.531 ( -25.863 0.000 12.553) 28.748 4.199 ( -12.101 0.000 -10.189) 15.819 4.783 ( -43.828 0.000 25.620) 50.767 5.196 ( -14.434 0.000 7.147) 16.107 5.984 ( -14.018 0.000 -2.526) 14.244 6.393 ( -26.728 0.000 -31.717) 41.477 6.415 ( -37.388 0.000 -38.081) 53.367 6.613 ( 8.943 0.000 8.811) 12.554 6.667 ( -17.361 0.000 -23.475) 29.197 6.830 ( 4.878 0.000 -0.890) 4.958 7.413 ( -7.005 0.000 -2.011) 7.288 7.660 ( -18.890 0.000 -14.013) 23.520 7.857 ( 2.666 0.000 20.161) 20.336 8.422 ( 10.380 0.000 22.866) 25.111 8.746 ( -33.019 0.000 -25.228) 41.553 8.802 ( 3.203 0.000 9.164) 9.707 9.128 ( 19.411 0.000 6.141) 20.359 9.592 ( 5.787 0.000 1.782) 6.056 9.681 ( 6.827 0.000 -12.829) 14.533 9.983 ( -0.577 0.000 -13.452) 13.464 10.077 ( 0.516 0.000 7.405) 7.423 10.227 ( -4.299 0.000 -4.610) 6.304 11.328 ( -5.828 0.000 3.537) 6.817 11.381 ( 14.550 0.000 18.974) 23.911 11.422 ( -8.016 0.000 -0.515) 8.032 11.993 ( 2.197 0.000 -7.357) 7.677 12.114 ( -3.052 0.000 -5.044) 5.896 12.338 ( -8.340 0.000 -14.367) 16.612 13.350 ( 25.782 0.000 27.742) 37.872 13.935 ( 17.942 0.000 14.618) 23.143 14.110 ( 0.203 0.000 -11.353) 11.355 14.268 ( -9.279 0.000 -3.661) 9.975 14.385 ( 16.935 0.000 -7.917) 18.694 14.524 ( -10.673 0.000 -12.985) 16.809 14.915 ( -3.088 0.000 18.549) 18.804 15.558 ( -7.015 0.000 -2.397) 7.413 15.590 ( 4.014 0.000 4.687) 6.171 15.652 ( -10.871 0.000 -13.371) 17.233 15.698 ( -9.194 0.000 -8.892) 12.791 15.734 ( -0.632 0.000 -2.519) 2.597 16.148 ( 5.065 0.000 5.763) 7.672 16.308 ( 1.167 0.000 -1.920) 2.247 16.453 ( 13.221 0.000 15.691) 20.518 16.808 ( 10.498 0.000 2.089) 10.704 22.550 ( -14.475 0.000 -6.269) 15.774 22.739 ( -14.475 0.000 -13.218) 19.602 23.677 ( 1.984 0.000 7.456) 7.716 23.983 ( -8.010 0.000 -8.619) 11.766 ======================= Grid point 256 (85/120) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 2.268 0.000 -9.264) 9.537 1.980 ( -5.999 0.000 -13.162) 14.465 2.148 ( 0.064 0.000 -3.772) 3.772 2.200 ( -5.140 0.000 -5.885) 7.813 2.362 ( 3.531 0.000 9.643) 10.269 2.461 ( -4.977 0.000 8.766) 10.081 2.716 ( 3.153 0.000 4.861) 5.794 2.764 ( -1.898 0.000 5.141) 5.480 2.781 ( 5.091 0.000 -7.350) 8.941 2.856 ( -1.720 0.000 -8.861) 9.027 3.354 ( 11.285 0.000 -23.076) 25.687 3.376 ( 4.554 0.000 6.063) 7.583 3.566 ( -9.276 0.000 12.376) 15.467 3.809 ( -25.605 0.000 -28.820) 38.551 4.443 ( 21.529 0.000 -36.710) 42.557 5.073 ( 2.163 0.000 -7.306) 7.620 5.345 ( -26.798 0.000 -26.350) 37.583 5.347 ( -56.102 0.000 -56.547) 79.655 6.286 ( 5.592 0.000 -4.538) 7.202 6.447 ( -9.201 0.000 -11.011) 14.349 6.814 ( 10.413 0.000 4.100) 11.191 6.962 ( 0.446 0.000 2.633) 2.671 7.296 ( -3.902 0.000 -13.732) 14.275 7.355 ( -8.287 0.000 -15.492) 17.569 7.985 ( 8.682 0.000 12.925) 15.570 8.233 ( -16.888 0.000 -1.244) 16.934 8.644 ( 9.952 0.000 23.555) 25.571 8.795 ( -4.190 0.000 19.932) 20.367 9.525 ( 17.511 0.000 8.040) 19.268 9.755 ( 8.850 0.000 -7.698) 11.729 9.760 ( -2.817 0.000 4.709) 5.487 9.913 ( -5.955 0.000 -12.333) 13.696 10.071 ( -0.039 0.000 -4.148) 4.148 10.123 ( -4.791 0.000 -8.638) 9.878 11.276 ( 0.619 0.000 1.161) 1.315 11.320 ( -3.029 0.000 -0.983) 3.185 11.687 ( 14.394 0.000 10.897) 18.053 11.927 ( -8.051 0.000 0.307) 8.057 12.082 ( 0.833 0.000 -5.977) 6.035 12.168 ( -7.176 0.000 -9.493) 11.900 13.768 ( 12.899 0.000 8.891) 15.666 13.964 ( -9.033 0.000 -8.287) 12.259 14.220 ( 4.462 0.000 -1.468) 4.697 14.282 ( 15.259 0.000 15.411) 21.687 14.372 ( -6.983 0.000 -3.140) 7.656 14.520 ( -5.645 0.000 9.631) 11.164 14.990 ( 11.990 0.000 0.910) 12.024 15.286 ( -15.142 0.000 -3.913) 15.640 15.544 ( -1.976 0.000 -12.567) 12.722 15.567 ( -3.894 0.000 -13.226) 13.787 15.665 ( 3.087 0.000 2.836) 4.192 15.713 ( -1.578 0.000 0.382) 1.623 16.241 ( 3.887 0.000 3.195) 5.032 16.301 ( -1.767 0.000 0.310) 1.794 16.733 ( 12.509 0.000 16.904) 21.029 16.898 ( -2.219 0.000 10.274) 10.511 22.364 ( -2.386 0.000 -11.634) 11.876 22.460 ( -10.739 0.000 -15.018) 18.463 23.734 ( 3.679 0.000 0.376) 3.698 23.834 ( -6.168 0.000 -5.065) 7.981 ======================= Grid point 261 (86/120) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.000 -9.751 7.866) 12.528 2.094 ( 0.000 -10.748 -6.851) 12.746 2.170 ( 0.000 4.703 12.466) 13.324 2.382 ( 0.000 5.125 -2.675) 5.781 2.391 ( 0.000 -4.576 -0.460) 4.599 2.479 ( 0.000 -16.274 -1.247) 16.322 2.560 ( 0.000 -1.842 -2.948) 3.476 2.630 ( 0.000 -1.297 -9.802) 9.887 2.635 ( 0.000 0.770 3.760) 3.838 2.881 ( 0.000 1.217 -6.646) 6.757 3.239 ( 0.000 -5.660 5.795) 8.100 3.440 ( 0.000 -6.770 -4.669) 8.224 4.888 ( 0.000 31.933 8.098) 32.944 5.058 ( 0.000 45.006 -1.875) 45.045 5.917 ( 0.000 11.815 23.490) 26.294 6.138 ( 0.000 15.305 5.524) 16.271 6.178 ( 0.000 18.301 5.025) 18.978 6.483 ( 0.000 3.085 -2.150) 3.760 6.968 ( 0.000 6.762 41.618) 42.163 7.372 ( 0.000 -5.797 16.323) 17.322 7.468 ( 0.000 3.570 22.162) 22.448 7.601 ( 0.000 4.921 20.764) 21.339 7.950 ( 0.000 2.461 7.173) 7.584 8.080 ( 0.000 3.420 -8.029) 8.727 8.531 ( 0.000 -5.627 -4.857) 7.433 8.576 ( 0.000 -0.196 -3.261) 3.267 8.749 ( 0.000 4.347 16.940) 17.489 9.083 ( 0.000 -15.080 23.732) 28.117 9.662 ( 0.000 6.312 -11.933) 13.499 9.686 ( 0.000 9.444 19.272) 21.462 9.747 ( 0.000 -6.707 -8.004) 10.443 10.049 ( 0.000 7.446 1.718) 7.642 10.250 ( 0.000 6.659 19.957) 21.039 10.783 ( 0.000 5.166 -7.252) 8.904 11.130 ( 0.000 -3.904 -27.232) 27.510 11.532 ( 0.000 7.366 -26.030) 27.052 11.685 ( 0.000 -5.119 13.887) 14.801 11.857 ( 0.000 -6.079 9.831) 11.558 12.252 ( 0.000 -2.485 12.582) 12.825 12.290 ( 0.000 0.085 -15.336) 15.336 12.477 ( 0.000 2.039 -15.370) 15.504 13.091 ( 0.000 -14.616 -4.582) 15.317 13.254 ( 0.000 -7.907 -9.816) 12.605 13.397 ( 0.000 -6.739 -22.593) 23.577 15.036 ( 0.000 5.371 4.809) 7.210 15.073 ( 0.000 0.908 17.917) 17.940 15.127 ( 0.000 5.690 6.066) 8.317 15.589 ( 0.000 4.071 -1.447) 4.320 15.665 ( 0.000 -2.636 -7.655) 8.096 15.688 ( 0.000 -8.456 8.410) 11.926 15.821 ( 0.000 1.726 -6.733) 6.950 15.893 ( 0.000 -0.424 6.316) 6.330 15.953 ( 0.000 -6.907 -2.809) 7.456 16.104 ( 0.000 -0.985 -3.805) 3.930 16.201 ( 0.000 -4.637 -4.775) 6.656 16.232 ( 0.000 0.219 -2.552) 2.562 23.081 ( 0.000 -0.311 5.368) 5.376 23.307 ( 0.000 2.834 -5.770) 6.429 23.577 ( 0.000 -4.089 20.875) 21.272 24.258 ( 0.000 -7.012 -12.557) 14.382 ======================= Grid point 262 (87/120) ======================= q-point: ( 0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 1.428 -8.276 5.378) 9.972 2.087 ( -1.296 -6.521 0.796) 6.696 2.136 ( -1.540 -0.465 2.914) 3.329 2.354 ( -1.490 -4.953 -0.349) 5.184 2.408 ( -0.438 -0.872 -2.610) 2.786 2.488 ( -0.423 -12.930 -0.838) 12.964 2.540 ( -0.276 -1.628 -3.348) 3.733 2.619 ( -0.118 -2.077 -0.073) 2.081 2.680 ( 2.879 3.070 -5.322) 6.784 2.842 ( -3.656 0.645 -5.915) 6.984 3.219 ( -1.679 -6.595 5.112) 8.511 3.407 ( -3.188 -7.265 -4.525) 9.133 4.853 ( -4.521 35.136 10.508) 36.952 5.061 ( 0.064 47.435 -2.049) 47.479 5.929 ( -0.713 9.217 24.479) 26.167 6.149 ( -1.608 10.838 14.157) 17.902 6.268 ( 7.253 13.583 3.385) 15.766 6.524 ( 2.447 5.779 -0.128) 6.278 6.689 ( -22.089 1.933 38.496) 44.426 6.987 ( -28.132 13.102 25.422) 40.117 7.549 ( -4.968 -0.863 4.756) 6.931 7.595 ( 3.065 -0.870 11.087) 11.536 7.766 ( -2.389 4.925 6.182) 8.257 8.299 ( -5.076 -0.304 -0.297) 5.093 8.397 ( -10.260 -0.735 -2.581) 10.605 8.437 ( -10.374 -0.494 0.954) 10.429 8.530 ( 1.717 4.908 15.555) 16.401 9.141 ( -20.705 -10.074 -6.980) 24.061 9.437 ( -9.600 -0.077 -17.556) 20.010 9.636 ( -6.662 -1.741 -6.224) 9.282 9.788 ( 0.283 8.447 12.896) 15.419 10.040 ( -0.856 9.600 1.173) 9.709 10.114 ( -2.273 3.270 10.580) 11.305 10.783 ( 10.625 3.166 8.790) 14.148 11.072 ( -28.227 4.637 -21.752) 35.936 11.456 ( 13.217 1.599 -6.910) 15.000 11.622 ( -4.441 -4.667 12.542) 14.100 11.908 ( -7.325 -4.443 -3.869) 9.400 12.158 ( -3.119 -0.509 -5.023) 5.935 12.441 ( 11.965 -2.340 -1.471) 12.280 12.526 ( 3.366 0.476 -8.292) 8.961 13.184 ( 8.879 -12.298 3.311) 15.525 13.367 ( 11.442 -13.937 -14.479) 23.126 13.566 ( 14.606 -8.044 -17.119) 23.898 14.911 ( -10.748 6.781 3.472) 13.174 15.059 ( -1.972 2.537 14.246) 14.603 15.080 ( -4.904 5.206 2.993) 7.753 15.556 ( -1.640 3.870 1.755) 4.555 15.581 ( -3.077 -4.037 1.105) 5.195 15.774 ( 1.356 0.838 -3.644) 3.978 15.875 ( 6.777 -4.904 -1.846) 8.566 15.922 ( 1.294 -2.048 2.239) 3.299 16.084 ( 4.338 -8.934 -3.807) 10.636 16.117 ( -0.830 -2.795 -2.464) 3.818 16.161 ( 3.157 -0.772 -1.523) 3.589 16.215 ( 0.774 1.339 -2.834) 3.229 23.074 ( -1.562 -0.622 1.614) 2.331 23.203 ( -9.887 3.111 -5.041) 11.526 23.582 ( 0.440 -4.399 18.922) 19.431 24.207 ( -4.856 -7.271 -12.028) 14.870 ======================= Grid point 263 (88/120) ======================= q-point: ( 0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -2.738 0.222 1.682) 3.221 2.075 ( 0.630 -9.205 5.330) 10.656 2.116 ( -1.314 -5.786 -7.029) 9.199 2.328 ( -1.507 -2.932 1.022) 3.451 2.365 ( -2.430 -8.163 -2.687) 8.931 2.476 ( 0.547 -11.089 -3.916) 11.773 2.523 ( -1.881 -1.541 3.361) 4.148 2.633 ( 0.080 -0.008 -4.584) 4.585 2.737 ( 2.163 2.209 -5.159) 6.014 2.756 ( -2.931 -1.843 -4.048) 5.326 3.178 ( -2.405 -8.876 3.170) 9.728 3.316 ( -5.356 -8.130 -3.986) 10.520 4.588 ( -24.624 33.738 22.627) 47.504 5.040 ( -2.951 51.748 -3.933) 51.981 5.695 ( -31.133 -0.028 30.137) 43.331 5.737 ( -29.686 1.094 34.608) 45.609 6.268 ( -1.694 15.397 15.740) 22.084 6.521 ( 6.857 4.950 0.479) 8.470 6.610 ( 4.957 23.285 3.094) 24.007 6.717 ( 0.851 9.232 -4.102) 10.138 7.251 ( -21.250 5.464 -16.392) 27.388 7.494 ( -31.199 2.802 -28.992) 42.682 7.713 ( -3.078 6.013 4.451) 8.089 7.903 ( -14.322 9.338 28.874) 33.556 8.164 ( -11.760 1.672 0.177) 11.880 8.250 ( -8.793 -1.739 -0.819) 9.000 8.589 ( -8.229 -9.400 -5.771) 13.762 8.826 ( 13.909 2.116 1.080) 14.110 9.299 ( -8.975 -2.401 -12.900) 15.897 9.580 ( 1.707 1.492 -9.853) 10.111 9.691 ( -7.334 -2.171 2.131) 7.940 9.995 ( -4.498 9.231 -1.911) 10.445 10.185 ( 1.470 9.535 -1.807) 9.816 10.455 ( -18.632 7.734 -16.906) 26.321 11.026 ( 6.406 -6.129 21.214) 22.992 11.501 ( -2.107 0.883 8.244) 8.554 11.644 ( -12.182 -1.414 -3.632) 12.790 11.833 ( 15.421 2.088 -0.013) 15.562 12.114 ( -3.304 -5.185 -4.427) 7.576 12.454 ( -5.158 -1.875 -18.667) 19.457 12.797 ( 18.362 -4.328 19.178) 26.901 13.447 ( 15.816 -13.333 10.558) 23.225 13.673 ( 16.123 -17.641 -13.641) 27.518 13.908 ( 16.603 -14.085 -9.448) 23.734 14.642 ( -14.295 9.000 -0.508) 16.900 14.856 ( -13.745 5.603 -8.673) 17.191 15.060 ( -0.076 7.244 14.882) 16.552 15.553 ( 0.433 -3.470 -1.519) 3.813 15.575 ( 2.172 4.968 5.349) 7.616 15.766 ( -2.314 0.442 -2.922) 3.754 15.838 ( -7.571 -4.099 -4.727) 9.821 15.878 ( -9.083 -5.047 -8.158) 13.210 16.075 ( 3.541 1.207 6.566) 7.557 16.174 ( 7.407 -3.287 4.733) 9.385 16.270 ( 3.610 0.166 -2.104) 4.182 16.448 ( 16.305 -6.413 -1.655) 17.599 22.925 ( -16.076 4.003 -4.432) 17.149 22.979 ( -8.162 -0.437 -5.771) 10.005 23.593 ( 0.629 -5.382 13.636) 14.673 24.070 ( -7.994 -7.946 -10.647) 15.505 ======================= Grid point 264 (89/120) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -1.491 0.697 -1.393) 2.156 2.056 ( -3.308 -7.912 -5.231) 10.045 2.084 ( -0.985 -5.431 -3.997) 6.815 2.241 ( -5.175 -3.442 2.089) 6.557 2.375 ( -0.251 -6.960 0.796) 7.009 2.463 ( -3.062 0.508 1.729) 3.553 2.540 ( 4.602 -10.936 -1.299) 11.936 2.589 ( -0.586 -3.826 -1.154) 4.039 2.773 ( 3.819 -2.688 -10.528) 11.518 2.788 ( 2.892 0.472 -3.456) 4.531 3.106 ( -5.289 -11.546 2.600) 12.963 3.204 ( -5.018 -8.250 -3.735) 10.353 3.981 ( -24.326 17.884 13.101) 32.912 4.745 ( -41.941 -2.873 22.419) 47.644 4.878 ( -16.473 48.199 -14.396) 52.932 5.499 ( -3.591 25.904 7.102) 27.099 6.173 ( -27.400 13.180 -17.913) 35.290 6.376 ( -34.562 -0.759 -36.599) 50.345 6.472 ( -15.038 8.702 -17.992) 25.012 6.653 ( -1.692 6.581 -2.692) 7.309 6.889 ( -1.967 19.911 -5.377) 20.718 7.060 ( 9.202 21.443 -3.364) 23.575 7.542 ( -9.390 15.787 0.883) 18.389 7.790 ( -11.568 14.442 -5.848) 19.406 7.880 ( -1.214 3.842 15.151) 15.677 8.325 ( 9.028 -9.551 18.843) 22.973 8.552 ( -1.620 -16.692 1.285) 16.819 8.857 ( -27.566 5.784 -19.039) 33.997 9.181 ( 18.510 2.593 5.294) 19.426 9.619 ( 2.728 1.969 5.247) 6.233 9.688 ( 7.695 1.948 -12.151) 14.514 9.963 ( 2.051 1.773 -6.829) 7.348 10.165 ( -2.427 6.097 0.217) 6.566 10.305 ( -5.183 6.493 -2.435) 8.657 11.065 ( 1.331 -15.817 11.950) 19.868 11.419 ( -7.963 -0.292 -3.906) 8.874 11.590 ( 8.689 10.310 10.508) 17.094 12.019 ( -0.861 -2.244 -7.329) 7.713 12.040 ( -0.384 -1.787 -3.658) 4.089 12.292 ( -10.148 -3.548 -14.079) 17.715 13.245 ( 23.317 -10.354 24.418) 35.315 13.778 ( 14.496 -17.211 10.204) 24.708 13.944 ( 8.996 -15.456 -3.955) 18.315 14.187 ( 9.416 -22.978 -2.118) 24.923 14.377 ( -9.760 10.852 -5.307) 15.530 14.568 ( -12.737 6.568 -12.734) 19.171 15.068 ( 1.121 12.849 11.176) 17.066 15.505 ( -7.952 -4.727 -0.757) 9.281 15.587 ( -4.784 -1.806 -7.295) 8.908 15.658 ( -2.789 0.083 -2.536) 3.770 15.685 ( -3.364 2.768 -5.419) 6.953 15.782 ( -0.982 4.392 -2.993) 5.405 16.167 ( 4.621 1.213 5.394) 7.205 16.303 ( 1.971 -0.907 -0.445) 2.215 16.402 ( 11.739 -5.158 13.710) 18.772 16.734 ( 10.083 -7.474 1.948) 12.701 22.599 ( -14.028 5.131 -6.578) 16.321 22.749 ( -13.308 1.335 -11.818) 17.848 23.610 ( 1.246 -6.870 6.578) 9.592 23.898 ( -8.299 -8.704 -8.591) 14.780 ======================= Grid point 265 (90/120) ======================= q-point: ( 0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 1.820 -0.030 -6.776) 7.016 1.968 ( -4.515 -3.261 -8.232) 9.939 2.085 ( 1.462 -5.920 -1.889) 6.384 2.144 ( -4.032 -4.715 1.114) 6.303 2.334 ( -1.014 -2.068 3.934) 4.559 2.376 ( -4.289 -2.469 6.134) 7.882 2.628 ( 5.399 -8.445 0.853) 10.060 2.675 ( 3.057 -3.911 0.896) 5.044 2.805 ( 0.864 0.618 -2.180) 2.425 2.861 ( -2.954 -0.054 -4.172) 5.112 3.038 ( 4.699 -15.754 -7.282) 17.980 3.127 ( -2.764 -8.981 -4.715) 10.514 3.805 ( 5.463 11.170 -15.433) 19.819 4.255 ( -26.014 17.303 -33.173) 45.570 4.427 ( 6.543 3.825 -36.139) 36.925 5.218 ( -53.336 -5.834 -53.789) 75.974 5.507 ( 3.576 35.274 -1.499) 35.487 5.693 ( -17.355 27.335 -16.065) 36.146 6.504 ( 4.331 19.226 -1.062) 19.737 6.587 ( -3.827 12.378 -4.329) 13.660 7.031 ( 11.819 20.512 -0.162) 23.674 7.273 ( 0.096 34.585 1.309) 34.610 7.355 ( -1.952 4.798 -10.762) 11.944 7.531 ( -10.670 21.750 -12.139) 27.097 7.985 ( 8.784 0.591 11.163) 14.217 8.255 ( -18.122 2.310 -3.849) 18.670 8.511 ( 7.571 -12.911 18.658) 23.919 8.620 ( -3.322 -14.972 13.699) 20.564 9.534 ( 14.022 0.959 8.401) 16.374 9.678 ( 0.019 -0.653 5.328) 5.368 9.863 ( 9.498 4.339 -7.831) 13.052 10.013 ( 1.353 5.182 -8.011) 9.636 10.094 ( -4.079 2.288 -5.085) 6.908 10.126 ( -10.244 1.888 -4.461) 11.332 11.163 ( 7.233 -9.239 3.333) 12.198 11.297 ( -5.231 -1.590 -2.300) 5.932 11.805 ( 11.255 8.627 7.415) 16.003 11.968 ( -0.684 -8.460 -5.279) 9.996 12.006 ( -4.495 5.979 -0.939) 7.538 12.066 ( -10.297 -7.890 -9.515) 16.088 13.658 ( 15.419 -12.660 13.579) 24.133 13.873 ( -5.492 -13.805 1.677) 14.952 14.124 ( 8.444 -14.248 8.583) 18.655 14.238 ( -1.653 -14.501 3.305) 14.964 14.313 ( 0.471 0.223 -4.770) 4.799 14.390 ( -4.388 -0.784 -9.679) 10.656 15.127 ( 5.212 10.812 5.515) 13.209 15.288 ( -10.171 0.818 0.534) 10.217 15.519 ( -0.854 -0.671 -11.115) 11.168 15.558 ( -4.027 0.258 -12.455) 13.092 15.727 ( 2.458 6.017 2.134) 6.841 15.764 ( -1.149 5.029 0.149) 5.161 16.252 ( 3.531 0.539 3.033) 4.686 16.305 ( -1.420 -0.122 0.523) 1.518 16.663 ( 11.848 -7.165 16.145) 21.269 16.820 ( -2.153 -7.964 9.840) 12.841 22.415 ( -2.696 5.385 -11.244) 12.755 22.495 ( -9.617 3.836 -13.973) 17.391 23.653 ( 3.153 -8.273 -0.261) 8.858 23.747 ( -6.079 -8.952 -5.377) 12.083 ======================= Grid point 270 (91/120) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 0.000 -7.025 -2.756) 7.546 1.877 ( 0.000 -10.693 -12.576) 16.507 2.215 ( 0.000 -4.020 0.800) 4.099 2.222 ( 0.000 -9.294 -0.512) 9.308 2.345 ( 0.000 5.397 5.242) 7.524 2.447 ( 0.000 1.234 0.777) 1.458 2.538 ( 0.000 -0.925 4.154) 4.256 2.623 ( 0.000 0.713 -5.924) 5.967 2.695 ( 0.000 4.176 -0.634) 4.224 2.886 ( 0.000 -0.968 -5.640) 5.723 3.148 ( 0.000 -3.647 4.048) 5.449 3.316 ( 0.000 -6.527 -4.491) 7.923 5.304 ( 0.000 12.497 6.259) 13.977 5.543 ( 0.000 6.557 -6.347) 9.126 6.161 ( 0.000 11.724 19.178) 22.478 6.486 ( 0.000 1.947 6.800) 7.073 6.669 ( 0.000 24.665 23.161) 33.835 6.879 ( 0.000 44.125 2.553) 44.199 7.168 ( 0.000 12.573 37.167) 39.236 7.263 ( 0.000 -5.305 19.551) 20.258 7.624 ( 0.000 15.505 0.604) 15.517 7.723 ( 0.000 10.107 20.891) 23.207 8.060 ( 0.000 11.377 9.326) 14.711 8.178 ( 0.000 5.666 5.473) 7.877 8.416 ( 0.000 -4.778 -5.138) 7.016 8.571 ( 0.000 0.165 0.666) 0.686 8.802 ( 0.000 -13.799 12.930) 18.910 8.892 ( 0.000 11.874 20.749) 23.907 9.595 ( 0.000 -9.900 -13.966) 17.119 9.734 ( 0.000 -1.889 17.290) 17.393 9.869 ( 0.000 12.967 -5.345) 14.026 10.195 ( 0.000 7.707 4.257) 8.805 10.471 ( 0.000 15.456 19.321) 24.742 10.915 ( 0.000 8.319 -8.897) 12.180 11.044 ( 0.000 -5.139 -20.520) 21.154 11.517 ( 0.000 -9.945 11.142) 14.935 11.688 ( 0.000 -11.126 10.494) 15.294 11.720 ( 0.000 8.827 -23.084) 24.714 12.217 ( 0.000 -0.809 4.147) 4.225 12.291 ( 0.000 -0.350 -16.619) 16.623 12.510 ( 0.000 1.044 -11.014) 11.064 12.707 ( 0.000 -24.760 -1.394) 24.799 13.043 ( 0.000 -13.345 -14.607) 19.785 13.182 ( 0.000 -14.571 -17.625) 22.868 15.099 ( 0.000 2.779 13.434) 13.718 15.177 ( 0.000 8.318 4.312) 9.369 15.265 ( 0.000 7.979 2.456) 8.348 15.529 ( 0.000 -6.386 7.382) 9.760 15.591 ( 0.000 -4.735 -4.944) 6.845 15.656 ( 0.000 -3.907 2.909) 4.871 15.747 ( 0.000 -6.165 -4.800) 7.814 15.863 ( 0.000 1.453 -5.161) 5.361 15.901 ( 0.000 0.155 -0.848) 0.862 16.059 ( 0.000 -3.298 -5.144) 6.110 16.142 ( 0.000 -1.080 1.793) 2.093 16.224 ( 0.000 -1.236 -1.949) 2.308 23.095 ( 0.000 2.226 7.080) 7.422 23.394 ( 0.000 5.723 -6.814) 8.899 23.471 ( 0.000 -6.020 17.362) 18.376 24.071 ( 0.000 -12.126 -11.405) 16.647 ======================= Grid point 271 (92/120) ======================= q-point: ( 0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 3.348 -6.569 -3.489) 8.157 1.891 ( 1.186 -9.977 -11.632) 15.370 2.162 ( -5.162 -2.275 3.010) 6.394 2.218 ( -0.150 -5.330 -1.444) 5.524 2.324 ( -0.207 0.371 0.346) 0.548 2.463 ( -2.854 2.445 -0.488) 3.790 2.538 ( 1.739 0.468 3.503) 3.938 2.584 ( -1.736 -1.125 -0.768) 2.206 2.740 ( 2.284 2.483 -2.752) 4.354 2.845 ( -3.758 -0.763 -4.948) 6.259 3.113 ( -2.974 -4.303 3.490) 6.288 3.279 ( -3.451 -6.472 -4.707) 8.715 5.355 ( 3.363 16.729 8.387) 19.014 5.626 ( 7.539 9.854 -6.550) 14.030 6.131 ( -10.224 10.137 27.336) 30.896 6.350 ( -15.643 5.529 27.175) 31.839 6.652 ( -16.405 8.868 19.137) 26.721 6.783 ( -2.633 6.840 18.656) 20.044 6.856 ( -1.834 36.868 6.853) 37.545 7.329 ( -12.124 15.535 13.779) 24.046 7.580 ( -4.871 6.331 -2.797) 8.463 7.623 ( 2.614 8.559 21.532) 23.317 7.923 ( -3.002 12.449 9.116) 15.719 8.323 ( -7.076 3.038 -9.378) 12.135 8.381 ( -8.561 -2.533 -9.613) 13.119 8.417 ( -0.985 2.296 -6.371) 6.843 8.677 ( 3.743 8.646 29.983) 31.428 9.003 ( -8.744 -0.336 -4.951) 10.054 9.400 ( -17.439 -5.039 -17.046) 24.901 9.625 ( -11.448 3.924 -11.340) 16.585 9.913 ( 6.673 2.174 16.714) 18.127 10.178 ( 2.429 2.681 4.549) 5.813 10.315 ( -11.100 19.139 12.425) 25.375 10.855 ( 5.073 3.671 11.307) 12.925 11.190 ( -11.782 7.381 -5.023) 14.782 11.468 ( -1.740 -4.149 1.444) 4.725 11.535 ( 6.780 -1.525 -4.254) 8.148 11.810 ( -4.360 -3.807 -11.959) 13.286 12.138 ( -7.577 -2.518 -5.029) 9.437 12.405 ( 11.562 -1.244 -6.612) 13.377 12.513 ( 0.487 -2.260 -7.160) 7.524 12.836 ( 10.402 -22.903 3.450) 25.390 13.068 ( 4.948 -16.904 -14.215) 22.634 13.269 ( 7.184 -21.012 -14.082) 26.295 15.076 ( -8.143 9.632 2.067) 12.781 15.134 ( 1.533 5.355 10.202) 11.624 15.211 ( -5.097 7.791 0.285) 9.314 15.472 ( -1.444 -4.855 3.363) 6.080 15.657 ( 0.970 0.485 3.807) 3.959 15.708 ( 5.003 -2.390 -1.003) 5.635 15.812 ( 0.663 -10.521 -7.638) 13.017 15.875 ( 1.285 2.374 -5.009) 5.690 15.922 ( 5.531 -3.972 3.768) 7.782 16.046 ( -0.414 -4.552 -3.522) 5.770 16.153 ( 1.834 0.034 0.812) 2.006 16.219 ( 0.291 -0.980 -1.864) 2.126 23.080 ( -1.940 1.882 4.085) 4.898 23.298 ( -9.073 6.787 -6.651) 13.139 23.467 ( -0.407 -7.047 15.906) 17.402 24.013 ( -5.527 -12.607 -10.902) 17.560 ======================= Grid point 272 (93/120) ======================= q-point: ( 0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 1.901 -7.009 -5.078) 8.862 1.916 ( 2.537 -5.403 -7.935) 9.929 2.046 ( -4.951 0.801 0.533) 5.044 2.211 ( -0.584 -4.542 -4.799) 6.633 2.328 ( -0.981 -0.282 0.120) 1.028 2.376 ( -2.623 1.010 -2.191) 3.564 2.517 ( -2.704 -0.007 5.274) 5.927 2.609 ( 2.339 -2.459 -2.185) 4.036 2.698 ( -6.567 -2.544 -2.221) 7.385 2.803 ( 0.370 1.217 -3.653) 3.868 3.044 ( -3.457 -5.096 1.606) 6.363 3.187 ( -5.092 -5.835 -5.114) 9.281 5.095 ( -39.284 19.204 34.766) 55.864 5.648 ( -46.727 -4.122 40.410) 61.914 5.798 ( 7.106 20.433 -6.118) 22.482 5.821 ( -1.465 6.944 13.230) 15.013 6.555 ( 5.078 14.250 9.364) 17.791 6.745 ( -6.860 15.884 -12.350) 21.258 6.939 ( 1.268 14.742 4.024) 15.334 7.088 ( -9.130 17.355 -1.687) 19.683 7.389 ( -14.776 8.802 -12.066) 21.009 7.562 ( -24.742 2.722 -9.837) 26.765 7.812 ( -0.111 0.592 4.791) 4.829 8.009 ( -8.314 -1.885 5.600) 10.200 8.334 ( -0.758 5.235 -0.331) 5.299 8.370 ( -2.431 21.655 -2.476) 21.932 8.520 ( -18.519 13.299 -7.248) 23.924 8.904 ( 11.522 9.969 9.016) 17.704 9.215 ( -4.207 -5.867 -11.095) 13.237 9.570 ( 3.426 -0.396 -10.556) 11.106 9.804 ( -10.097 13.595 13.730) 21.801 10.161 ( 0.544 5.733 9.512) 11.119 10.352 ( 2.975 6.139 -2.274) 7.191 10.705 ( -24.843 19.309 -18.979) 36.745 10.876 ( -5.512 -8.210 21.228) 23.418 11.538 ( 8.180 2.855 7.608) 11.530 11.609 ( -11.513 -1.792 -11.632) 16.464 11.849 ( 16.327 -1.304 3.005) 16.652 12.025 ( -3.559 -3.380 -1.421) 5.110 12.424 ( -5.323 -1.025 -16.514) 17.381 12.688 ( 12.117 -6.402 8.882) 16.331 13.066 ( 11.548 -25.513 7.280) 28.936 13.277 ( 13.419 -25.056 -10.356) 30.252 13.437 ( 8.056 -31.177 -6.302) 32.812 14.860 ( -11.613 12.795 -1.319) 17.330 14.995 ( -11.760 8.105 -7.171) 15.982 15.235 ( 3.948 9.596 8.242) 13.251 15.476 ( 0.191 -3.320 0.374) 3.346 15.670 ( -0.520 -0.996 2.490) 2.731 15.686 ( -5.821 -4.235 -1.036) 7.273 15.783 ( -1.031 1.371 -4.283) 4.614 15.888 ( 0.112 4.242 -4.292) 6.035 16.036 ( 6.043 -4.902 5.389) 9.465 16.126 ( 4.720 -2.416 4.075) 6.688 16.246 ( 2.096 -2.698 -1.730) 3.829 16.299 ( 12.603 -7.854 -1.869) 14.967 22.992 ( -7.007 2.299 -2.359) 7.742 23.045 ( -14.556 8.610 -6.096) 17.976 23.451 ( -1.080 -8.935 10.879) 14.119 23.858 ( -9.049 -13.837 -9.768) 19.203 ======================= Grid point 273 (94/120) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -2.873 -3.492 -0.226) 4.527 1.967 ( -1.470 2.189 -4.735) 5.420 2.016 ( 2.730 -3.207 -5.640) 7.039 2.188 ( -2.367 -2.425 -7.826) 8.529 2.297 ( 0.930 0.312 4.018) 4.136 2.399 ( 2.983 -3.937 -1.415) 5.138 2.462 ( -2.899 -0.726 3.502) 4.603 2.552 ( -3.116 -1.489 -3.595) 4.985 2.698 ( 5.409 -4.051 -6.324) 9.255 2.799 ( -0.982 -2.327 -2.729) 3.718 2.974 ( -3.702 -3.249 -0.024) 4.925 3.086 ( -4.317 -4.540 -5.184) 8.131 4.228 ( -34.007 9.894 17.121) 39.338 4.663 ( -41.357 -5.383 21.275) 46.819 5.639 ( -34.375 28.704 -33.001) 55.629 5.978 ( 9.771 21.761 4.164) 24.214 6.289 ( -44.090 0.278 -41.860) 60.797 6.359 ( -25.623 0.029 -28.503) 38.327 6.782 ( 3.869 17.958 2.207) 18.502 6.863 ( 0.488 16.805 2.142) 16.948 7.278 ( -3.112 14.827 -2.458) 15.348 7.338 ( 6.632 5.068 2.396) 8.684 7.828 ( 1.678 -1.090 14.326) 14.465 8.040 ( 6.418 -12.821 15.131) 20.845 8.262 ( -6.454 7.982 7.481) 12.702 8.320 ( -2.685 28.512 -4.246) 28.951 8.362 ( 0.615 38.953 -1.988) 39.008 8.992 ( -19.685 7.608 -14.047) 25.351 9.201 ( 16.245 1.673 0.238) 16.333 9.688 ( 6.987 -1.903 -14.190) 15.930 9.738 ( 3.145 13.046 12.010) 18.009 10.099 ( -4.539 7.016 6.155) 10.378 10.307 ( -5.324 10.739 -7.194) 13.979 10.404 ( -7.839 5.147 -4.176) 10.266 10.794 ( 2.050 -10.537 12.574) 16.533 11.410 ( -7.063 -0.289 -12.725) 14.557 11.696 ( 3.676 -1.536 5.367) 6.684 11.941 ( 1.343 1.582 6.250) 6.585 12.072 ( -1.565 -0.313 -10.486) 10.607 12.297 ( -4.799 5.909 -8.391) 11.329 12.993 ( 17.326 -14.959 16.913) 28.461 13.299 ( 10.538 -32.388 7.103) 34.792 13.513 ( 7.477 -39.273 -3.970) 40.175 13.566 ( 4.417 -28.925 -0.306) 29.262 14.640 ( -8.833 15.430 -5.286) 18.549 14.750 ( -10.980 11.436 -10.441) 18.983 15.270 ( -1.289 4.589 4.126) 6.304 15.397 ( -7.452 -6.386 -2.310) 10.082 15.608 ( -0.567 5.708 -0.870) 5.801 15.646 ( 0.010 2.171 -3.624) 4.224 15.820 ( 3.315 8.864 1.287) 9.551 15.888 ( 0.037 6.240 -2.065) 6.573 16.167 ( 4.793 -1.779 5.409) 7.443 16.247 ( 7.431 -6.048 8.991) 13.139 16.285 ( 2.841 -5.359 1.781) 6.322 16.540 ( 8.615 -12.235 1.492) 15.038 22.749 ( -12.792 10.570 -7.286) 18.123 22.806 ( -10.418 5.081 -8.431) 14.333 23.428 ( -0.853 -11.678 4.166) 12.428 23.665 ( -9.110 -15.211 -8.423) 19.629 ======================= Grid point 274 (95/120) ======================= q-point: ( 0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 2.027 -1.846 2.758) 3.888 1.907 ( -4.050 0.461 1.401) 4.311 2.061 ( 2.109 0.795 -6.995) 7.349 2.122 ( -3.448 1.540 -4.687) 6.019 2.321 ( 1.174 0.034 2.418) 2.688 2.373 ( -3.870 0.651 3.589) 5.318 2.498 ( 6.109 -5.626 1.411) 8.424 2.593 ( 0.391 -4.248 -1.836) 4.644 2.780 ( 0.857 -3.322 -0.797) 3.522 2.855 ( 5.779 -3.207 -8.558) 10.812 2.861 ( -3.219 -1.808 0.410) 3.715 3.007 ( -4.678 -4.618 -4.528) 7.982 3.963 ( 10.034 6.639 -24.737) 27.508 4.279 ( 10.336 -4.094 -29.537) 31.560 4.648 ( -46.379 10.956 -50.893) 69.722 5.099 ( -55.541 -6.589 -55.267) 78.630 6.146 ( 6.119 29.260 0.996) 29.910 6.231 ( -2.642 25.799 -4.269) 26.283 6.864 ( 3.354 16.315 3.565) 17.033 6.909 ( 0.350 22.075 4.709) 22.574 7.298 ( 4.895 3.491 -4.502) 7.511 7.395 ( -2.032 -2.229 -3.660) 4.743 7.946 ( 9.677 0.603 11.391) 14.959 8.115 ( -2.473 -8.119 12.666) 15.246 8.199 ( 0.986 22.686 6.608) 23.649 8.264 ( -3.580 28.094 -1.784) 28.378 8.381 ( 2.204 30.315 -3.489) 30.594 8.550 ( -17.100 16.849 -8.440) 25.447 9.536 ( 14.977 -0.178 1.785) 15.084 9.752 ( -4.810 6.310 4.960) 9.357 9.880 ( 11.810 -0.262 -5.989) 13.244 10.085 ( 1.104 4.341 0.548) 4.512 10.175 ( -11.931 1.881 -2.236) 12.283 10.193 ( -5.321 11.175 -4.359) 13.122 11.003 ( 15.140 -6.547 3.225) 16.807 11.278 ( -9.032 -0.400 -5.457) 10.560 11.701 ( 2.582 -10.856 -5.933) 12.638 11.877 ( -11.922 -7.808 -11.328) 18.205 12.079 ( 8.041 13.205 7.178) 17.046 12.219 ( -4.921 12.696 1.006) 13.653 13.323 ( 12.956 -21.227 12.692) 27.920 13.455 ( 2.195 -31.115 7.023) 31.973 13.569 ( 0.972 -44.085 3.169) 44.210 13.613 ( -0.876 -33.960 0.264) 33.972 14.530 ( -1.555 15.696 -8.888) 18.105 14.574 ( -5.691 14.086 -10.972) 18.740 15.227 ( -1.220 -2.326 -0.227) 2.637 15.259 ( -4.603 -5.293 -2.651) 7.499 15.630 ( 1.614 12.711 -0.543) 12.824 15.651 ( -0.208 10.453 -2.431) 10.734 15.875 ( 1.630 8.947 1.710) 9.254 15.889 ( -0.056 7.801 0.412) 7.812 16.239 ( 2.646 -2.328 2.576) 4.366 16.276 ( -0.874 -3.238 0.828) 3.455 16.474 ( 10.019 -12.253 14.120) 21.211 16.610 ( -2.097 -13.506 8.628) 16.163 22.573 ( -3.415 11.165 -10.219) 15.516 22.614 ( -6.825 8.875 -11.338) 15.934 23.432 ( 1.617 -14.352 -2.053) 14.588 23.507 ( -5.810 -15.667 -6.231) 17.834 ======================= Grid point 279 (96/120) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 0.000 -1.606 -12.549) 12.651 1.720 ( 0.000 -5.225 -15.621) 16.472 2.120 ( 0.000 -1.932 -3.042) 3.604 2.133 ( 0.000 -2.995 -4.209) 5.166 2.457 ( 0.000 0.590 5.543) 5.574 2.459 ( 0.000 2.505 6.518) 6.983 2.541 ( 0.000 3.440 5.212) 6.245 2.621 ( 0.000 -2.269 -0.372) 2.300 2.775 ( 0.000 4.017 -2.545) 4.755 2.844 ( 0.000 -3.127 -3.996) 5.074 3.121 ( 0.000 1.352 0.181) 1.364 3.195 ( 0.000 -5.764 -3.227) 6.606 5.467 ( 0.000 6.031 0.042) 6.031 5.552 ( 0.000 -2.863 -4.288) 5.156 6.349 ( 0.000 7.956 14.796) 16.800 6.461 ( 0.000 -3.759 10.394) 11.052 6.979 ( 0.000 10.492 28.423) 30.298 7.134 ( 0.000 -6.329 19.993) 20.971 7.324 ( 0.000 3.976 23.801) 24.131 7.335 ( 0.000 4.515 15.872) 16.501 7.960 ( 0.000 9.893 10.857) 14.688 7.987 ( 0.000 14.266 8.631) 16.674 8.190 ( 0.000 -1.601 15.700) 15.782 8.299 ( 0.000 -1.703 31.904) 31.949 8.449 ( 0.000 6.587 -6.753) 9.434 8.577 ( 0.000 -7.404 0.496) 7.420 8.797 ( 0.000 29.486 -18.369) 34.740 9.211 ( 0.000 13.362 21.093) 24.969 9.349 ( 0.000 -11.240 -13.788) 17.788 9.595 ( 0.000 -12.760 22.119) 25.535 10.174 ( 0.000 16.637 -3.721) 17.048 10.319 ( 0.000 2.911 2.782) 4.026 10.768 ( 0.000 13.245 13.124) 18.646 10.931 ( 0.000 -6.454 -9.565) 11.539 11.084 ( 0.000 9.234 -6.561) 11.327 11.295 ( 0.000 -12.485 6.186) 13.933 11.519 ( 0.000 -1.235 7.308) 7.411 11.741 ( 0.000 -13.907 -0.731) 13.926 12.213 ( 0.000 -4.255 -31.036) 31.326 12.215 ( 0.000 -0.083 -4.769) 4.770 12.394 ( 0.000 -0.699 2.596) 2.688 12.483 ( 0.000 -5.230 -12.976) 13.990 12.836 ( 0.000 -4.330 -15.795) 16.378 12.920 ( 0.000 -10.980 -13.967) 17.766 15.195 ( 0.000 7.732 8.777) 11.697 15.337 ( 0.000 7.961 2.427) 8.323 15.379 ( 0.000 -2.396 1.059) 2.619 15.419 ( 0.000 -7.181 1.589) 7.354 15.459 ( 0.000 -1.712 0.866) 1.919 15.487 ( 0.000 -5.925 -1.583) 6.132 15.784 ( 0.000 3.134 1.163) 3.343 15.848 ( 0.000 -2.934 0.481) 2.974 15.932 ( 0.000 3.194 -4.013) 5.130 15.997 ( 0.000 -3.186 -6.226) 6.994 16.150 ( 0.000 1.505 1.699) 2.269 16.188 ( 0.000 -2.233 -0.504) 2.289 23.175 ( 0.000 6.011 9.475) 11.221 23.312 ( 0.000 -7.942 12.469) 14.783 23.577 ( 0.000 11.190 -7.551) 13.499 23.819 ( 0.000 -13.633 -9.739) 16.754 ======================= Grid point 280 (97/120) ======================= q-point: ( 0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 3.644 -1.737 -12.119) 12.773 1.750 ( 2.741 -4.426 -14.714) 15.607 2.118 ( -0.357 -0.756 -2.504) 2.640 2.138 ( 0.468 -2.795 -4.265) 5.121 2.403 ( -2.590 4.616 4.048) 6.663 2.466 ( -1.396 -2.022 5.434) 5.964 2.565 ( 1.311 2.612 3.710) 4.723 2.595 ( -2.507 0.801 -1.072) 2.842 2.762 ( -2.100 0.619 -0.567) 2.262 2.805 ( -3.268 -3.221 -2.276) 5.122 3.084 ( -3.097 1.718 -0.743) 3.618 3.161 ( -3.015 -5.617 -3.944) 7.497 5.570 ( 9.374 7.509 0.796) 12.037 5.666 ( 10.656 -2.492 -4.244) 11.738 6.290 ( -16.976 6.494 29.970) 35.051 6.374 ( -18.597 -2.070 29.848) 35.228 6.790 ( -16.428 5.649 23.917) 29.560 6.847 ( -5.951 0.017 20.554) 21.398 7.266 ( -3.089 8.810 8.031) 12.315 7.376 ( 2.355 -3.834 7.492) 8.740 7.754 ( -11.182 8.744 2.048) 14.342 7.841 ( -12.911 2.406 10.319) 16.702 8.175 ( -5.254 9.982 12.599) 16.911 8.303 ( -8.813 -4.816 4.177) 10.876 8.423 ( -0.717 7.635 -7.851) 10.974 8.556 ( -4.665 -1.423 -6.796) 8.365 8.814 ( 5.360 18.914 -3.880) 20.038 9.168 ( -9.031 -10.023 -10.378) 17.021 9.355 ( 2.183 21.118 6.798) 22.293 9.713 ( -2.020 -7.180 9.454) 12.042 9.960 ( -2.862 11.521 0.035) 11.871 10.170 ( -3.430 -5.123 -0.835) 6.222 10.705 ( -10.334 18.687 18.539) 28.279 10.891 ( -2.665 -1.168 17.141) 17.386 11.348 ( 7.348 4.457 2.931) 9.080 11.375 ( 11.371 0.409 0.856) 11.410 11.457 ( -0.143 -2.369 1.256) 2.685 11.760 ( 1.478 -14.746 -0.890) 14.846 12.063 ( -12.993 5.307 -25.490) 29.099 12.334 ( 0.974 -13.668 -22.730) 26.541 12.417 ( 6.887 -0.012 2.773) 7.424 12.509 ( 6.361 -9.154 -0.491) 11.158 12.802 ( -2.459 -5.169 -14.261) 15.367 12.910 ( -0.384 -13.765 -12.547) 18.629 15.225 ( -0.783 5.129 3.543) 6.283 15.248 ( -6.104 4.100 1.135) 7.440 15.359 ( -1.120 7.996 2.987) 8.609 15.432 ( 3.204 1.703 0.825) 3.721 15.529 ( 1.468 -8.290 0.581) 8.439 15.565 ( 6.811 -10.323 0.776) 12.392 15.813 ( 3.226 4.428 0.110) 5.479 15.883 ( 3.624 -2.312 0.120) 4.300 15.907 ( -1.107 1.980 -2.794) 3.599 15.963 ( -2.105 -3.499 -5.379) 6.753 16.162 ( 0.964 0.865 1.265) 1.811 16.188 ( 0.088 -1.805 -0.248) 1.824 23.156 ( -2.084 5.962 7.058) 9.471 23.294 ( -2.003 -7.838 9.488) 12.469 23.498 ( -7.274 11.370 -6.024) 14.781 23.750 ( -6.506 -14.228 -9.151) 18.125 ======================= Grid point 281 (98/120) ======================= q-point: ( 0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 3.473 -1.137 -11.271) 11.849 1.830 ( 5.428 -2.995 -11.895) 13.414 2.097 ( -1.775 3.144 -1.081) 3.769 2.150 ( 0.464 -2.548 -4.267) 4.992 2.362 ( -1.355 3.570 0.523) 3.854 2.412 ( -3.643 0.152 0.417) 3.670 2.519 ( -3.475 1.116 -1.256) 3.860 2.572 ( -1.775 -2.346 0.589) 3.000 2.658 ( -5.676 0.989 3.060) 6.524 2.750 ( -2.776 -6.029 2.123) 6.968 3.019 ( -2.738 2.235 -3.264) 4.811 3.089 ( -3.638 -4.511 -5.426) 7.939 5.371 ( -48.716 10.990 41.128) 64.695 5.541 ( -50.445 -7.128 42.566) 66.388 5.926 ( 12.970 4.676 3.193) 14.152 5.970 ( 16.121 1.043 -3.980) 16.638 6.805 ( 6.156 11.042 3.930) 13.238 6.922 ( 2.503 0.715 -6.413) 6.921 7.184 ( -11.936 10.063 -6.180) 16.790 7.274 ( -21.063 3.386 -18.416) 28.182 7.493 ( -21.570 1.703 1.225) 21.672 7.565 ( -1.031 -3.114 4.648) 5.689 7.780 ( -23.326 2.332 -5.814) 24.152 7.908 ( -18.881 -8.390 -7.530) 21.991 8.434 ( -1.050 8.114 3.981) 9.099 8.552 ( 6.262 -2.083 -3.175) 7.324 8.946 ( 6.113 15.252 3.699) 16.842 9.105 ( 3.632 -5.478 -2.907) 7.187 9.347 ( 0.520 28.945 4.912) 29.364 9.622 ( -0.891 1.591 -6.861) 7.099 10.075 ( 6.006 9.273 11.836) 16.191 10.200 ( 0.261 -2.606 2.500) 3.621 10.471 ( -10.026 12.383 8.591) 18.101 10.708 ( -12.190 -8.772 11.009) 18.621 11.196 ( -12.062 28.525 2.581) 31.077 11.573 ( 5.318 -2.236 6.384) 8.605 11.627 ( -0.603 4.646 -8.191) 9.436 11.836 ( 0.098 -12.023 6.863) 13.844 11.878 ( 10.920 1.810 -5.948) 12.566 12.285 ( -1.551 -22.106 -12.033) 25.216 12.598 ( 6.094 -3.783 -2.991) 7.771 12.666 ( 6.577 -10.587 -1.110) 12.513 12.760 ( -1.560 -10.316 -8.812) 13.657 12.961 ( 6.420 -19.125 -9.573) 22.330 15.082 ( -8.329 8.727 -1.562) 12.165 15.128 ( -8.067 4.290 -3.690) 9.853 15.346 ( -2.766 2.514 4.121) 5.563 15.441 ( -6.775 -4.067 -1.952) 8.140 15.581 ( 7.355 1.149 2.245) 7.775 15.651 ( 3.235 -2.310 0.728) 4.041 15.897 ( 3.587 6.048 1.135) 7.122 15.942 ( 1.628 0.303 -1.917) 2.534 15.957 ( 6.524 -0.932 0.822) 6.642 16.035 ( 8.302 -6.348 0.314) 10.455 16.189 ( 1.144 -1.800 -0.024) 2.132 16.200 ( 2.163 -2.826 0.453) 3.588 23.079 ( -5.465 6.726 1.361) 8.773 23.204 ( -7.881 -0.111 -2.216) 8.187 23.321 ( -8.002 3.873 1.308) 8.986 23.569 ( -10.537 -15.660 -8.096) 20.538 ======================= Grid point 282 (99/120) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 1.685 4.001 -6.463) 7.786 1.949 ( 5.296 -4.227 -8.859) 11.154 2.053 ( -2.151 5.824 -1.825) 6.472 2.144 ( -0.892 -2.988 -5.390) 6.227 2.339 ( -1.555 1.653 0.527) 2.330 2.353 ( -0.507 -0.643 -0.259) 0.859 2.462 ( -2.355 1.600 2.238) 3.621 2.517 ( -0.617 -2.279 -4.566) 5.141 2.637 ( 3.415 -1.237 -1.098) 3.795 2.693 ( -1.853 -6.426 2.181) 7.034 2.973 ( -2.109 1.914 -4.548) 5.366 3.020 ( -3.087 -2.812 -5.835) 7.176 4.397 ( -38.138 8.201 18.927) 43.359 4.543 ( -40.231 -7.093 20.164) 45.557 6.019 ( -50.862 13.423 -46.478) 70.194 6.208 ( -54.673 -6.870 -49.442) 74.033 6.292 ( 11.643 10.231 -4.342) 16.096 6.383 ( 7.521 0.002 -9.305) 11.965 7.077 ( 4.237 14.700 7.378) 16.985 7.234 ( 10.331 12.567 3.556) 16.652 7.337 ( -3.490 -0.103 8.458) 9.150 7.435 ( -11.448 3.793 -0.880) 12.092 7.620 ( 0.461 -11.492 6.635) 13.278 7.745 ( 2.621 -15.936 5.692) 17.124 8.430 ( 0.426 15.571 5.711) 16.591 8.674 ( 4.945 -4.547 -1.015) 6.794 9.026 ( -0.838 16.196 2.639) 16.431 9.102 ( -6.601 3.521 -0.619) 7.507 9.454 ( 8.847 21.241 -2.002) 23.096 9.651 ( 4.159 -1.723 -8.570) 9.680 10.099 ( -7.887 1.181 4.368) 9.093 10.186 ( 4.133 13.330 7.512) 15.849 10.305 ( -4.089 6.862 -0.328) 7.995 10.603 ( 4.427 -5.955 -4.545) 8.702 10.957 ( -10.714 36.524 6.706) 38.649 11.476 ( -9.477 1.500 -9.920) 13.801 11.593 ( -0.158 0.125 3.465) 3.471 12.009 ( 4.395 -13.850 -2.514) 14.747 12.012 ( 3.324 5.471 1.813) 6.653 12.308 ( 2.135 -18.552 -3.407) 18.983 12.688 ( 4.821 -19.776 3.112) 20.592 12.744 ( 3.995 -22.159 5.057) 23.077 12.804 ( 4.428 1.084 -2.118) 5.027 13.099 ( 4.667 -22.165 -4.730) 23.140 14.919 ( -6.769 12.359 -4.779) 14.879 14.962 ( -7.272 8.882 -6.742) 13.313 15.222 ( -7.684 -5.696 -2.125) 9.798 15.256 ( -9.499 -8.176 -4.654) 13.369 15.744 ( 7.878 7.407 4.721) 11.799 15.785 ( 8.769 7.052 5.363) 12.465 15.981 ( 4.712 5.482 2.061) 7.517 15.991 ( 2.559 4.110 0.024) 4.841 16.094 ( 5.671 -2.675 4.555) 7.750 16.140 ( 2.189 -4.303 3.686) 6.074 16.197 ( -0.011 -2.919 0.748) 3.013 16.299 ( 5.088 -11.698 0.861) 12.786 22.945 ( -6.878 9.614 -4.405) 12.616 22.994 ( -10.339 13.269 -8.234) 18.728 23.197 ( -4.741 -10.590 0.690) 11.624 23.346 ( -10.346 -17.250 -7.779) 21.567 ======================= Grid point 283 (100/120) ======================= q-point: ( 0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 3.093 7.207 -0.545) 7.862 1.990 ( -4.292 6.966 0.243) 8.186 2.032 ( 3.439 -4.700 -4.892) 7.606 2.110 ( -3.196 -4.008 -5.396) 7.443 2.341 ( 2.571 2.358 2.520) 4.304 2.404 ( 4.490 -3.425 1.247) 5.783 2.411 ( -2.643 3.221 4.479) 6.117 2.507 ( -3.156 -5.171 -0.124) 6.059 2.735 ( 6.147 -0.472 -2.061) 6.500 2.768 ( 8.222 -3.632 -5.252) 10.410 2.884 ( -7.293 2.072 -0.337) 7.589 2.935 ( -6.506 -3.168 -2.575) 7.681 4.080 ( 11.930 5.857 -27.755) 30.773 4.187 ( 12.338 -5.294 -28.600) 31.595 4.823 ( -53.594 8.051 -54.640) 76.959 4.967 ( -55.451 -7.196 -55.291) 78.637 6.610 ( 12.127 18.555 0.660) 22.177 6.641 ( 9.534 15.947 -1.086) 18.611 7.067 ( -3.794 -1.303 5.079) 6.472 7.132 ( -10.753 -9.122 2.671) 14.351 7.374 ( 2.576 11.079 3.437) 11.883 7.397 ( 2.587 16.886 3.073) 17.357 7.693 ( 6.316 -17.068 10.804) 21.164 7.791 ( -1.169 -18.518 8.346) 20.345 8.499 ( 7.888 20.317 -0.633) 21.804 8.731 ( -6.566 13.253 -6.872) 16.309 8.840 ( -3.770 0.148 -0.577) 3.816 8.958 ( -7.699 4.744 -1.617) 9.186 9.673 ( 11.469 13.474 -3.195) 17.980 9.790 ( 6.568 1.555 -9.052) 11.291 9.943 ( -5.443 1.472 2.834) 6.311 10.071 ( -10.695 -8.027 -2.321) 13.572 10.464 ( 13.161 33.046 4.290) 35.828 10.707 ( -8.460 36.713 -1.831) 37.720 10.888 ( 14.817 -6.745 5.435) 17.163 11.231 ( -15.088 -9.138 -2.681) 17.842 11.647 ( 6.348 12.020 -5.123) 14.527 11.841 ( -11.032 7.478 -10.544) 16.994 12.183 ( 6.439 -18.267 4.325) 19.845 12.286 ( -3.650 -22.568 -1.330) 22.900 12.768 ( 4.148 -16.867 3.029) 17.631 12.830 ( -0.977 -6.329 1.385) 6.552 12.951 ( 10.723 -19.573 9.419) 24.224 13.110 ( -3.846 -22.430 2.257) 22.869 14.830 ( -1.635 14.731 -7.454) 16.590 14.850 ( -3.358 13.627 -8.383) 16.347 15.094 ( -3.641 -10.194 -5.433) 12.111 15.102 ( -4.489 -10.400 -6.208) 12.917 15.894 ( 5.525 14.168 6.190) 16.419 15.920 ( 3.146 14.378 4.735) 15.461 16.037 ( 1.993 7.681 1.774) 8.131 16.060 ( 1.261 9.385 2.227) 9.727 16.157 ( 0.895 -6.536 2.263) 6.974 16.176 ( -0.550 -7.595 1.571) 7.775 16.224 ( 5.697 -11.579 10.119) 16.399 16.330 ( -2.562 -14.905 6.433) 16.435 22.831 ( -3.255 14.443 -8.116) 16.884 22.839 ( -4.137 15.488 -8.900) 18.335 23.132 ( -0.967 -16.228 -4.679) 16.917 23.177 ( -5.469 -18.141 -7.412) 20.345 ======================= Grid point 315 (101/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 0.000 0.000 -3.321) 3.321 2.202 ( 0.000 0.000 3.321) 3.321 2.294 ( 0.000 0.000 -8.865) 8.865 2.294 ( 0.000 0.000 8.865) 8.865 2.399 ( 0.000 0.000 -13.117) 13.117 2.399 ( 0.000 0.000 13.117) 13.117 2.611 ( 0.000 0.000 -4.123) 4.123 2.611 ( 0.000 0.000 4.123) 4.123 2.763 ( 0.000 0.000 -4.805) 4.805 2.763 ( 0.000 0.000 4.805) 4.805 3.453 ( 0.000 0.000 -5.672) 5.672 3.453 ( 0.000 0.000 5.672) 5.672 4.469 ( 0.000 0.000 -0.047) 0.047 4.469 ( 0.000 0.000 0.047) 0.047 6.049 ( 0.000 0.000 -1.320) 1.320 6.049 ( 0.000 0.000 1.320) 1.320 6.239 ( 0.000 0.000 -17.792) 17.792 6.239 ( 0.000 0.000 17.792) 17.792 7.612 ( 0.000 0.000 -17.338) 17.338 7.612 ( 0.000 0.000 17.338) 17.338 7.727 ( 0.000 0.000 -0.012) 0.012 7.727 ( 0.000 0.000 0.012) 0.012 7.839 ( 0.000 0.000 -0.578) 0.578 7.839 ( 0.000 0.000 0.578) 0.578 8.471 ( 0.000 0.000 -3.136) 3.136 8.471 ( 0.000 0.000 3.136) 3.136 9.150 ( 0.000 0.000 -26.695) 26.695 9.150 ( 0.000 0.000 26.695) 26.695 9.773 ( 0.000 0.000 -10.899) 10.899 9.773 ( 0.000 0.000 10.899) 10.899 9.826 ( 0.000 0.000 -10.209) 10.209 9.826 ( 0.000 0.000 10.209) 10.209 10.702 ( 0.000 0.000 -12.271) 12.271 10.702 ( 0.000 0.000 12.271) 12.271 10.792 ( 0.000 0.000 -39.619) 39.619 10.792 ( 0.000 0.000 39.619) 39.619 12.038 ( 0.000 0.000 -7.864) 7.864 12.038 ( 0.000 0.000 7.864) 7.864 12.091 ( 0.000 0.000 -2.090) 2.090 12.091 ( 0.000 0.000 2.090) 2.090 12.875 ( 0.000 0.000 -33.727) 33.727 12.875 ( 0.000 0.000 33.727) 33.727 13.227 ( 0.000 0.000 -2.636) 2.636 13.227 ( 0.000 0.000 2.636) 2.636 15.086 ( 0.000 0.000 -4.506) 4.506 15.086 ( 0.000 0.000 4.506) 4.506 15.430 ( 0.000 0.000 -17.652) 17.652 15.430 ( 0.000 0.000 17.652) 17.652 15.603 ( 0.000 0.000 -7.259) 7.259 15.603 ( 0.000 0.000 7.259) 7.259 15.975 ( 0.000 0.000 -5.259) 5.259 15.975 ( 0.000 0.000 5.259) 5.259 16.012 ( 0.000 0.000 -5.735) 5.735 16.012 ( 0.000 0.000 5.735) 5.735 16.190 ( 0.000 0.000 -0.484) 0.484 16.190 ( 0.000 0.000 0.484) 0.484 23.182 ( 0.000 0.000 -5.168) 5.168 23.182 ( 0.000 0.000 5.168) 5.168 24.017 ( 0.000 0.000 -19.211) 19.211 24.017 ( 0.000 0.000 19.211) 19.211 ======================= Grid point 317 (102/120) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -4.154 0.000 -1.926) 4.579 2.152 ( -4.154 0.000 1.926) 4.579 2.306 ( 0.669 0.000 -7.694) 7.723 2.306 ( 0.669 0.000 7.694) 7.723 2.437 ( 2.737 0.000 -8.567) 8.993 2.437 ( 2.737 0.000 8.567) 8.993 2.602 ( -0.419 0.000 -2.700) 2.732 2.602 ( -0.419 0.000 2.700) 2.732 2.746 ( -1.425 0.000 -4.797) 5.004 2.746 ( -1.425 0.000 4.797) 5.004 3.440 ( -1.160 0.000 -5.081) 5.211 3.440 ( -1.160 0.000 5.081) 5.211 4.433 ( -3.747 0.000 -1.387) 3.995 4.433 ( -3.747 0.000 1.387) 3.995 6.143 ( 8.448 0.000 -2.534) 8.820 6.143 ( 8.448 0.000 2.534) 8.820 6.275 ( 2.565 0.000 -18.617) 18.793 6.275 ( 2.565 0.000 18.617) 18.793 7.311 ( -21.093 0.000 -24.404) 32.256 7.311 ( -21.093 0.000 24.404) 32.256 7.490 ( -26.924 0.000 -27.022) 38.146 7.490 ( -26.924 0.000 27.022) 38.146 7.973 ( 2.079 0.000 -23.715) 23.806 7.973 ( 2.079 0.000 23.715) 23.806 8.492 ( 3.591 0.000 -6.315) 7.264 8.492 ( 3.591 0.000 6.315) 7.264 8.790 ( -22.516 0.000 -24.409) 33.208 8.790 ( -22.516 0.000 24.409) 33.208 9.701 ( -0.935 0.000 -3.352) 3.480 9.701 ( -0.935 0.000 3.352) 3.480 9.727 ( -14.324 0.000 -19.735) 24.386 9.727 ( -14.324 0.000 19.735) 24.386 10.419 ( -24.064 0.000 -27.443) 36.499 10.419 ( -24.064 0.000 27.443) 36.499 11.113 ( 25.968 0.000 -24.066) 35.405 11.113 ( 25.968 0.000 24.066) 35.405 11.907 ( -11.314 0.000 -6.670) 13.134 11.907 ( -11.314 0.000 6.670) 13.134 12.167 ( 3.828 0.000 -9.039) 9.817 12.167 ( 3.828 0.000 9.039) 9.817 13.018 ( 13.992 0.000 -33.373) 36.188 13.018 ( 13.992 0.000 33.373) 36.188 13.402 ( 15.396 0.000 -7.039) 16.928 13.402 ( 15.396 0.000 7.039) 16.928 14.949 ( -12.410 0.000 -6.274) 13.906 14.949 ( -12.410 0.000 6.274) 13.906 15.413 ( -1.498 0.000 -17.741) 17.804 15.413 ( -1.498 0.000 17.741) 17.804 15.610 ( 0.750 0.000 -7.564) 7.601 15.610 ( 0.750 0.000 7.564) 7.601 16.040 ( -0.492 0.000 -4.433) 4.460 16.040 ( -0.492 0.000 4.433) 4.460 16.065 ( 4.486 0.000 -6.036) 7.520 16.065 ( 4.486 0.000 6.036) 7.520 16.163 ( 3.479 0.000 -2.276) 4.157 16.163 ( 3.479 0.000 2.276) 4.157 23.110 ( -7.205 0.000 -2.364) 7.583 23.110 ( -7.205 0.000 2.364) 7.583 23.989 ( -2.614 0.000 -17.596) 17.790 23.989 ( -2.614 0.000 17.596) 17.790 ======================= Grid point 319 (103/120) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -5.611 0.000 -5.844) 8.102 2.049 ( -5.611 0.000 5.844) 8.102 2.290 ( -2.691 0.000 -4.798) 5.501 2.290 ( -2.691 0.000 4.798) 5.501 2.484 ( 1.675 0.000 -6.660) 6.868 2.484 ( 1.675 0.000 6.660) 6.868 2.623 ( 2.928 0.000 -1.967) 3.528 2.623 ( 2.928 0.000 1.967) 3.528 2.714 ( -1.427 0.000 -5.620) 5.798 2.714 ( -1.427 0.000 5.620) 5.798 3.412 ( -1.242 0.000 -2.850) 3.109 3.412 ( -1.242 0.000 2.850) 3.109 4.291 ( -11.158 0.000 -6.440) 12.883 4.291 ( -11.158 0.000 6.440) 12.883 6.259 ( -11.357 0.000 -25.198) 27.640 6.259 ( -11.357 0.000 25.198) 27.640 6.297 ( -1.889 0.000 -14.199) 14.325 6.297 ( -1.889 0.000 14.199) 14.325 6.640 ( -42.819 0.000 -40.550) 58.973 6.640 ( -42.819 0.000 40.550) 58.973 6.810 ( -23.188 0.000 -23.319) 32.885 6.810 ( -23.188 0.000 23.319) 32.885 7.811 ( -16.460 0.000 -12.738) 20.813 7.811 ( -16.460 0.000 12.738) 20.813 8.539 ( -6.309 0.000 -25.188) 25.966 8.539 ( -6.310 0.000 25.188) 25.966 8.598 ( 2.819 0.000 -12.777) 13.084 8.598 ( 2.819 0.000 12.777) 13.084 9.265 ( -13.663 0.000 -15.922) 20.981 9.265 ( -13.663 0.000 15.922) 20.981 9.718 ( 1.344 0.000 -10.657) 10.741 9.718 ( 1.344 0.000 10.657) 10.741 10.198 ( -1.399 0.000 -6.636) 6.782 10.198 ( -1.399 0.000 6.636) 6.782 11.526 ( 14.104 0.000 -22.257) 26.350 11.526 ( 14.104 0.000 22.257) 26.350 11.635 ( -13.731 0.000 -4.469) 14.440 11.635 ( -13.731 0.000 4.469) 14.440 12.190 ( -1.444 0.000 -8.930) 9.046 12.190 ( -1.444 0.000 8.930) 9.046 13.416 ( 22.488 0.000 -30.970) 38.273 13.416 ( 22.488 0.000 30.970) 38.273 13.782 ( 20.126 0.000 -10.703) 22.795 13.782 ( 20.126 0.000 10.703) 22.795 14.628 ( -17.432 0.000 -7.438) 18.952 14.628 ( -17.432 0.000 7.438) 18.952 15.370 ( -2.828 0.000 -18.310) 18.527 15.370 ( -2.828 0.000 18.310) 18.527 15.635 ( 1.585 0.000 -6.329) 6.524 15.635 ( 1.585 0.000 6.329) 6.524 15.862 ( -12.532 0.000 -0.581) 12.546 15.862 ( -12.532 0.000 0.581) 12.546 16.165 ( 4.723 0.000 -5.885) 7.546 16.165 ( 4.723 0.000 5.885) 7.546 16.402 ( 15.220 0.000 -9.232) 17.801 16.402 ( 15.220 0.000 9.232) 17.801 22.883 ( -14.598 0.000 -3.055) 14.914 22.883 ( -14.598 0.000 3.055) 14.914 23.915 ( -4.330 0.000 -13.382) 14.065 23.915 ( -4.330 0.000 13.382) 14.065 ======================= Grid point 321 (104/120) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -6.212 0.000 -5.750) 8.465 1.927 ( -6.212 0.000 5.750) 8.465 2.206 ( -4.814 0.000 -3.382) 5.884 2.206 ( -4.814 0.000 3.382) 5.884 2.517 ( 2.072 0.000 -9.406) 9.631 2.517 ( 2.072 0.000 9.406) 9.631 2.691 ( -0.959 0.000 -8.242) 8.298 2.691 ( -0.959 0.000 8.242) 8.298 2.709 ( 4.836 0.000 -3.545) 5.996 2.709 ( 4.836 0.000 3.545) 5.996 3.412 ( 2.201 0.000 -3.745) 4.344 3.412 ( 2.201 0.000 3.745) 4.344 3.901 ( -28.168 0.000 -20.805) 35.018 3.901 ( -28.168 0.000 20.805) 35.018 5.506 ( -36.646 0.000 -26.963) 45.496 5.506 ( -36.646 0.000 26.963) 45.496 5.546 ( -57.896 0.000 -48.239) 75.359 5.546 ( -57.896 0.000 48.239) 75.359 6.349 ( -3.574 0.000 -12.795) 13.285 6.349 ( -3.574 0.000 12.795) 13.285 6.776 ( 9.092 0.000 -6.339) 11.083 6.776 ( 9.092 0.000 6.339) 11.083 7.425 ( -17.567 0.000 -6.249) 18.646 7.425 ( -17.567 0.000 6.249) 18.646 8.297 ( -9.810 0.000 -23.225) 25.212 8.297 ( -9.810 0.000 23.225) 25.212 8.770 ( 11.041 0.000 -12.005) 16.310 8.770 ( 11.041 0.000 12.005) 16.310 9.367 ( 14.886 0.000 -16.960) 22.566 9.367 ( 14.886 0.000 16.960) 22.566 9.729 ( -0.448 0.000 -11.998) 12.006 9.729 ( -0.448 0.000 11.998) 12.006 10.177 ( -2.900 0.000 -3.006) 4.177 10.177 ( -2.900 0.000 3.006) 4.177 11.397 ( -8.336 0.000 -2.850) 8.810 11.397 ( -8.336 0.000 2.850) 8.810 11.742 ( 7.984 0.000 -17.455) 19.194 11.742 ( 7.984 0.000 17.455) 19.194 12.126 ( -4.253 0.000 -6.646) 7.890 12.126 ( -4.253 0.000 6.646) 7.890 13.813 ( 11.936 0.000 -19.717) 23.049 13.813 ( 11.936 0.000 19.717) 23.049 14.190 ( 18.842 0.000 -11.971) 22.323 14.190 ( 18.842 0.000 11.971) 22.323 14.313 ( -9.742 0.000 -7.996) 12.603 14.313 ( -9.742 0.000 7.996) 12.603 15.290 ( -5.137 0.000 -19.707) 20.366 15.290 ( -5.137 0.000 19.707) 20.366 15.591 ( -12.654 0.000 -3.106) 13.030 15.591 ( -12.654 0.000 3.106) 13.030 15.672 ( 1.925 0.000 -3.871) 4.323 15.672 ( 1.925 0.000 3.871) 4.323 16.247 ( 3.050 0.000 -4.399) 5.353 16.247 ( 3.050 0.000 4.399) 5.353 16.721 ( 14.695 0.000 -10.547) 18.088 16.721 ( 14.695 0.000 10.547) 18.088 22.546 ( -16.658 0.000 -5.718) 17.612 22.546 ( -16.658 0.000 5.718) 17.612 23.824 ( -4.148 0.000 -7.991) 9.003 23.824 ( -4.147 0.000 7.991) 9.003 ======================= Grid point 323 (105/120) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -3.963 0.000 -2.789) 4.847 1.811 ( -3.963 0.000 2.789) 4.847 2.119 ( -2.867 0.000 -1.527) 3.248 2.119 ( -2.867 0.000 1.527) 3.248 2.585 ( 4.273 0.000 -12.373) 13.090 2.585 ( 4.273 0.000 12.373) 13.090 2.661 ( -2.447 0.000 -11.102) 11.369 2.661 ( -2.447 0.000 11.102) 11.369 2.800 ( 3.556 0.000 -3.191) 4.778 2.800 ( 3.556 0.000 3.191) 4.778 3.290 ( -22.368 0.000 -18.032) 28.731 3.290 ( -22.368 0.000 18.032) 28.731 3.559 ( 12.684 0.000 -12.256) 17.638 3.559 ( 12.684 0.000 12.256) 17.638 4.422 ( -42.351 0.000 -34.132) 54.393 4.422 ( -42.351 0.000 34.132) 54.393 5.058 ( -9.071 0.000 -5.745) 10.737 5.058 ( -9.071 0.000 5.745) 10.737 6.296 ( -1.503 0.000 -4.637) 4.875 6.296 ( -1.503 0.000 4.637) 4.875 6.952 ( 7.630 0.000 -8.280) 11.260 6.952 ( 7.630 0.000 8.280) 11.260 7.141 ( -10.208 0.000 -4.887) 11.317 7.141 ( -10.208 0.000 4.887) 11.317 8.186 ( -1.995 0.000 -6.430) 6.732 8.186 ( -1.995 0.000 6.430) 6.732 8.960 ( 5.686 0.000 -5.931) 8.217 8.960 ( 5.686 0.000 5.931) 8.217 9.694 ( 14.681 0.000 -9.191) 17.321 9.694 ( 14.681 0.000 9.191) 17.321 9.708 ( -1.052 0.000 -5.928) 6.020 9.708 ( -1.052 0.000 5.928) 6.020 10.041 ( -9.624 0.000 -2.289) 9.893 10.041 ( -9.624 0.000 2.289) 9.893 11.304 ( -1.475 0.000 -1.229) 1.920 11.304 ( -1.475 0.000 1.229) 1.920 11.866 ( 3.561 0.000 -6.875) 7.742 11.866 ( 3.561 0.000 6.875) 7.742 12.046 ( -2.599 0.000 -2.540) 3.633 12.046 ( -2.599 0.000 2.540) 3.633 13.827 ( -4.208 0.000 -3.480) 5.461 13.827 ( -4.208 0.000 3.480) 5.461 14.310 ( 3.825 0.000 -5.709) 6.872 14.310 ( 3.825 0.000 5.709) 6.872 14.515 ( 10.838 0.000 -8.103) 13.533 14.515 ( 10.838 0.000 8.103) 13.533 15.158 ( -6.412 0.000 -12.416) 13.974 15.158 ( -6.412 0.000 12.416) 13.974 15.403 ( -4.579 0.000 -2.809) 5.372 15.403 ( -4.579 0.000 2.809) 5.372 15.705 ( 0.983 0.000 -1.279) 1.613 15.705 ( 0.983 0.000 1.279) 1.613 16.288 ( 0.980 0.000 -1.630) 1.902 16.288 ( 0.980 0.000 1.630) 1.902 16.952 ( 6.469 0.000 -4.850) 8.085 16.952 ( 6.469 0.000 4.850) 8.085 22.276 ( -7.737 0.000 -2.944) 8.278 22.276 ( -7.737 0.000 2.944) 8.278 23.760 ( -1.730 0.000 -2.600) 3.123 23.760 ( -1.730 0.000 2.600) 3.123 ======================= Grid point 333 (106/120) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.000 -14.133 -2.002) 14.275 2.011 ( 0.000 -14.133 2.002) 14.275 2.351 ( 0.000 1.063 -3.555) 3.710 2.351 ( 0.000 1.063 3.555) 3.710 2.444 ( 0.000 -1.784 -7.951) 8.149 2.444 ( 0.000 -1.784 7.951) 8.149 2.489 ( 0.000 -4.041 -2.942) 4.999 2.489 ( 0.000 -4.041 2.942) 4.999 2.746 ( 0.000 0.471 -7.033) 7.048 2.746 ( 0.000 0.471 7.033) 7.048 3.345 ( 0.000 -6.708 -5.300) 8.549 3.345 ( 0.000 -6.708 5.300) 8.549 5.001 ( 0.000 37.568 -4.224) 37.805 5.001 ( 0.000 37.568 4.224) 37.805 6.188 ( 0.000 20.149 -0.772) 20.163 6.188 ( 0.000 20.149 0.772) 20.163 6.319 ( 0.000 6.980 -13.836) 15.496 6.319 ( 0.000 6.980 13.836) 15.496 7.565 ( 0.000 -4.092 -0.682) 4.148 7.565 ( 0.000 -4.092 0.682) 4.148 7.723 ( 0.000 2.252 -22.091) 22.206 7.723 ( 0.000 2.252 22.091) 22.206 7.943 ( 0.000 7.707 -6.930) 10.364 7.943 ( 0.000 7.707 6.930) 10.364 8.453 ( 0.000 -1.824 -0.908) 2.038 8.453 ( 0.000 -1.824 0.908) 2.038 9.195 ( 0.000 4.389 -24.714) 25.101 9.195 ( 0.000 4.389 24.714) 25.101 9.565 ( 0.000 -11.463 -11.968) 16.572 9.565 ( 0.000 -11.463 11.968) 16.572 10.001 ( 0.000 8.178 -9.934) 12.867 10.001 ( 0.000 8.178 9.934) 12.867 10.722 ( 0.000 2.063 -9.346) 9.571 10.722 ( 0.000 2.063 9.346) 9.571 10.869 ( 0.000 8.127 -39.058) 39.895 10.869 ( 0.000 8.127 39.058) 39.895 11.964 ( 0.000 -7.575 -7.594) 10.726 11.964 ( 0.000 -7.575 7.594) 10.726 12.101 ( 0.000 0.907 -1.254) 1.548 12.101 ( 0.000 0.907 1.254) 1.548 12.845 ( 0.000 -3.313 -29.690) 29.874 12.845 ( 0.000 -3.313 29.690) 29.874 13.123 ( 0.000 -10.870 -2.955) 11.265 13.123 ( 0.000 -10.870 2.955) 11.265 15.133 ( 0.000 4.685 -4.216) 6.303 15.133 ( 0.000 4.685 4.216) 6.303 15.414 ( 0.000 -1.555 -16.964) 17.035 15.414 ( 0.000 -1.555 16.964) 17.035 15.650 ( 0.000 4.608 -6.793) 8.209 15.650 ( 0.000 4.608 6.793) 8.209 15.858 ( 0.000 -9.936 -5.933) 11.573 15.858 ( 0.000 -9.936 5.933) 11.573 16.014 ( 0.000 -1.475 -5.550) 5.742 16.014 ( 0.000 -1.475 5.550) 5.742 16.188 ( 0.000 -0.215 -1.673) 1.687 16.188 ( 0.000 -0.215 1.673) 1.687 23.192 ( 0.000 1.327 -6.091) 6.234 23.192 ( 0.000 1.327 6.091) 6.234 23.959 ( 0.000 -5.897 -18.481) 19.399 23.959 ( 0.000 -5.897 18.481) 19.399 ======================= Grid point 335 (107/120) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -0.073 -12.192 -2.435) 12.433 2.013 ( -0.073 -12.192 2.435) 12.433 2.316 ( -3.340 1.316 -8.225) 8.975 2.316 ( -3.340 1.316 8.225) 8.975 2.394 ( -1.859 -9.799 -3.790) 10.669 2.394 ( -1.859 -9.799 3.790) 10.669 2.561 ( 3.908 1.659 -4.399) 6.114 2.561 ( 3.908 1.659 4.399) 6.114 2.722 ( -2.221 0.081 -6.123) 6.514 2.722 ( -2.221 0.081 6.123) 6.514 3.316 ( -2.702 -7.475 -4.951) 9.364 3.316 ( -2.702 -7.475 4.951) 9.364 4.995 ( -1.059 40.670 -5.072) 40.998 4.995 ( -1.059 40.670 5.072) 40.998 6.248 ( 4.750 14.536 -5.532) 16.263 6.248 ( 4.750 14.536 5.532) 16.263 6.370 ( 4.348 9.249 -12.627) 16.244 6.370 ( 4.348 9.249 12.627) 16.244 7.316 ( -19.764 0.672 -22.681) 30.092 7.316 ( -19.764 0.672 22.681) 30.092 7.550 ( -24.443 6.328 -25.572) 35.937 7.550 ( -24.443 6.328 25.572) 35.937 7.980 ( 1.066 0.755 -23.957) 23.993 7.980 ( 1.066 0.755 23.957) 23.993 8.393 ( -3.856 -7.488 -8.019) 11.629 8.393 ( -3.856 -7.488 8.019) 11.629 8.904 ( -19.187 9.540 -19.305) 28.842 8.904 ( -19.187 9.540 19.305) 28.842 9.436 ( -6.173 -13.225 -12.924) 19.494 9.436 ( -6.173 -13.225 12.924) 19.494 9.996 ( -1.217 12.641 -6.036) 14.061 9.996 ( -1.217 12.641 6.036) 14.061 10.496 ( -26.487 8.798 -30.474) 41.323 10.496 ( -26.487 8.798 30.474) 41.323 11.129 ( 25.438 1.774 -22.730) 34.160 11.129 ( 25.438 1.774 22.730) 34.160 11.847 ( -10.356 -6.418 -7.519) 14.317 11.847 ( -10.356 -6.418 7.519) 14.317 12.158 ( 2.838 -0.525 -8.573) 9.046 12.158 ( 2.838 -0.525 8.573) 9.046 12.952 ( 11.039 -6.713 -28.417) 31.216 12.952 ( 11.039 -6.713 28.417) 31.216 13.303 ( 15.684 -10.814 -9.267) 21.185 13.303 ( 15.684 -10.814 9.267) 21.185 15.005 ( -11.671 5.517 -5.637) 14.086 15.005 ( -11.671 5.517 5.637) 14.086 15.396 ( -1.398 -1.502 -16.290) 16.419 15.396 ( -1.398 -1.502 16.290) 16.419 15.658 ( 0.779 4.659 -7.073) 8.506 15.658 ( 0.779 4.659 7.073) 8.506 15.909 ( 1.125 -9.258 -2.955) 9.783 15.909 ( 1.125 -9.258 2.955) 9.783 16.089 ( 7.825 -3.079 -1.365) 8.519 16.089 ( 7.825 -3.079 1.365) 8.519 16.157 ( -1.124 1.123 -1.997) 2.553 16.157 ( -1.124 1.123 1.997) 2.553 23.121 ( -7.060 1.438 -3.418) 7.974 23.121 ( -7.060 1.438 3.418) 7.974 23.929 ( -2.887 -6.182 -16.878) 18.205 23.929 ( -2.887 -6.182 16.878) 18.205 ======================= Grid point 337 (108/120) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -2.428 -5.753 -3.823) 7.321 1.990 ( -2.428 -5.753 3.823) 7.321 2.237 ( -3.777 -8.298 -9.160) 12.924 2.237 ( -3.777 -8.298 9.160) 12.924 2.379 ( 0.299 -6.907 -3.558) 7.775 2.379 ( 0.299 -6.907 3.558) 7.775 2.610 ( -0.257 0.273 -2.402) 2.431 2.610 ( -0.257 0.273 2.402) 2.431 2.682 ( -0.176 0.146 -1.307) 1.327 2.682 ( -0.176 0.146 1.307) 1.327 3.242 ( -4.297 -9.159 -3.677) 10.765 3.242 ( -4.297 -9.159 3.677) 10.765 4.906 ( -10.069 44.960 -10.913) 47.348 4.906 ( -10.069 44.960 10.913) 47.348 6.243 ( -14.685 0.056 -23.799) 27.965 6.243 ( -14.685 0.056 23.799) 27.965 6.375 ( -13.774 5.410 -18.410) 23.620 6.375 ( -13.774 5.410 18.410) 23.620 6.749 ( -33.264 8.598 -15.628) 37.744 6.749 ( -33.264 8.598 15.628) 37.744 6.916 ( -15.564 14.557 -10.280) 23.660 6.916 ( -15.564 14.557 10.280) 23.660 7.877 ( -10.624 7.600 -11.455) 17.373 7.877 ( -10.624 7.600 11.455) 17.373 8.378 ( 2.345 -12.177 -3.224) 12.813 8.378 ( 2.345 -12.177 3.224) 12.813 8.668 ( -8.751 4.145 -20.697) 22.850 8.668 ( -8.751 4.145 20.697) 22.850 9.289 ( -4.973 1.073 -14.569) 15.432 9.289 ( -4.973 1.073 14.569) 15.432 9.820 ( -8.298 11.871 -9.818) 17.498 9.820 ( -8.298 11.871 9.818) 17.498 10.254 ( 0.188 5.006 -6.639) 8.317 10.254 ( 0.189 5.006 6.639) 8.317 11.455 ( -1.091 -6.516 -19.618) 20.701 11.455 ( -1.091 -6.516 19.618) 20.701 11.670 ( 1.641 2.667 -9.284) 9.798 11.670 ( 1.641 2.667 9.284) 9.798 12.164 ( -2.387 -2.134 -10.112) 10.607 12.164 ( -2.387 -2.134 10.112) 10.607 13.282 ( 19.298 -12.620 -25.169) 34.134 13.282 ( 19.298 -12.620 25.169) 34.134 13.686 ( 19.936 -12.089 -12.152) 26.292 13.686 ( 19.936 -12.089 12.152) 26.292 14.702 ( -16.489 7.381 -6.360) 19.152 14.702 ( -16.489 7.381 6.360) 19.152 15.363 ( -1.835 -0.015 -15.509) 15.617 15.363 ( -1.835 -0.015 15.509) 15.617 15.683 ( 1.624 4.784 -5.477) 7.451 15.683 ( 1.624 4.784 5.477) 7.451 15.796 ( -10.382 -5.863 -1.300) 11.994 15.796 ( -10.382 -5.863 1.300) 11.994 16.187 ( 3.504 1.416 -4.873) 6.167 16.187 ( 3.504 1.416 4.873) 6.167 16.342 ( 14.830 -6.016 -8.426) 18.087 16.342 ( 14.830 -6.016 8.426) 18.087 22.902 ( -14.017 2.163 -1.811) 14.298 22.902 ( -14.017 2.163 1.811) 14.298 23.847 ( -4.846 -7.029 -12.739) 15.335 23.847 ( -4.846 -7.029 12.739) 15.335 ======================= Grid point 339 (109/120) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -3.898 -0.058 -4.581) 6.015 1.920 ( -3.898 -0.058 4.581) 6.015 2.167 ( -3.219 -7.990 -7.455) 11.393 2.167 ( -3.219 -7.990 7.455) 11.393 2.412 ( 3.299 -8.794 -3.785) 10.126 2.412 ( 3.299 -8.794 3.785) 10.126 2.574 ( -1.617 -3.866 -2.829) 5.056 2.574 ( -1.617 -3.866 2.829) 5.056 2.717 ( 2.693 0.042 -2.945) 3.991 2.717 ( 2.693 0.042 2.945) 3.991 3.148 ( -4.777 -10.933 -2.216) 12.135 3.148 ( -4.777 -10.933 2.216) 12.135 4.427 ( -36.897 30.019 -29.118) 55.771 4.427 ( -36.897 30.019 29.118) 55.771 5.448 ( -57.334 -4.432 -44.854) 72.929 5.448 ( -57.334 -4.432 44.854) 72.929 5.741 ( -21.381 17.652 -20.837) 34.683 5.741 ( -21.381 17.652 20.837) 34.683 6.518 ( -0.610 15.105 -8.350) 17.270 6.518 ( -0.610 15.105 8.350) 17.270 6.968 ( 9.154 19.577 -7.035) 22.727 6.968 ( 9.154 19.577 7.035) 22.727 7.599 ( -14.873 19.912 -6.721) 25.746 7.599 ( -14.873 19.912 6.721) 25.746 8.310 ( -9.375 0.586 -22.165) 24.074 8.310 ( -9.375 0.586 22.165) 24.074 8.610 ( 6.216 -13.039 -10.793) 18.032 8.610 ( 6.216 -13.039 10.793) 18.032 9.403 ( 13.341 1.809 -15.242) 20.336 9.403 ( 13.341 1.809 15.242) 20.336 9.767 ( 0.487 5.378 -9.679) 11.083 9.767 ( 0.487 5.378 9.679) 11.083 10.246 ( -3.375 5.700 -4.351) 7.925 10.246 ( -3.375 5.700 4.351) 7.925 11.291 ( -6.766 -9.422 -10.102) 15.382 11.291 ( -6.766 -9.422 10.102) 15.382 11.817 ( 7.039 5.666 -12.577) 15.486 11.817 ( 7.039 5.666 12.577) 15.486 12.073 ( -5.826 -3.608 -7.818) 10.396 12.073 ( -5.826 -3.608 7.818) 10.396 13.653 ( 14.635 -15.506 -17.008) 27.274 13.653 ( 14.635 -15.506 17.008) 27.274 14.063 ( 15.393 -16.667 -10.029) 24.806 14.063 ( 15.393 -16.667 10.029) 24.806 14.387 ( -12.350 8.452 -5.865) 16.074 14.387 ( -12.350 8.452 5.865) 16.074 15.321 ( -2.089 3.574 -14.472) 15.053 15.321 ( -2.089 3.574 14.472) 15.053 15.557 ( -11.446 -2.406 -3.442) 12.192 15.557 ( -11.446 -2.406 3.442) 12.192 15.724 ( 1.993 5.085 -3.203) 6.331 15.724 ( 1.993 5.085 3.203) 6.331 16.256 ( 2.812 0.458 -3.835) 4.778 16.256 ( 2.812 0.458 3.835) 4.778 16.651 ( 14.145 -7.121 -10.025) 18.743 16.651 ( 14.145 -7.121 10.025) 18.743 22.581 ( -15.757 3.784 -4.636) 16.855 22.581 ( -15.757 3.784 4.636) 16.855 23.744 ( -4.692 -8.212 -7.525) 12.086 23.744 ( -4.692 -8.212 7.525) 12.086 ======================= Grid point 341 (110/120) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -2.431 3.707 -2.342) 5.014 1.849 ( -2.432 3.707 2.342) 5.014 2.108 ( -1.978 -2.852 -2.948) 4.554 2.108 ( -1.978 -2.852 2.948) 4.554 2.501 ( 2.623 -10.543 -10.508) 15.114 2.501 ( 2.623 -10.543 10.508) 15.114 2.585 ( 3.952 -2.319 -6.456) 7.917 2.585 ( 3.952 -2.319 6.456) 7.917 2.784 ( 3.615 -1.656 -2.528) 4.712 2.784 ( 3.615 -1.656 2.528) 4.712 3.025 ( -8.106 -10.662 -5.360) 14.426 3.025 ( -8.106 -10.662 5.360) 14.426 3.768 ( -15.663 9.286 -12.502) 22.088 3.768 ( -15.663 9.286 12.502) 22.088 4.362 ( -38.407 -4.314 -29.110) 48.385 4.362 ( -38.407 -4.314 29.110) 48.385 5.531 ( -3.423 37.372 -3.811) 37.721 5.531 ( -3.423 37.372 3.811) 37.721 6.525 ( 0.558 20.445 -2.394) 20.592 6.525 ( 0.558 20.445 2.394) 20.592 7.124 ( 4.849 12.966 -9.903) 17.020 7.124 ( 4.849 12.966 9.903) 17.020 7.346 ( -7.868 28.776 -6.356) 30.502 7.346 ( -7.868 28.776 6.356) 30.502 8.177 ( -3.065 -0.684 -6.937) 7.615 8.177 ( -3.065 -0.684 6.937) 7.615 8.737 ( 3.922 -19.225 -3.224) 19.884 8.737 ( 3.922 -19.225 3.224) 19.884 9.691 ( 9.203 -0.559 -6.901) 11.517 9.691 ( 9.203 -0.559 6.901) 11.517 9.814 ( 7.434 7.614 -8.161) 13.410 9.814 ( 7.434 7.614 8.161) 13.410 10.078 ( -12.423 3.833 -1.322) 13.068 10.078 ( -12.423 3.833 1.322) 13.068 11.242 ( 0.588 -5.545 -3.973) 6.847 11.242 ( 0.588 -5.545 3.973) 6.847 11.900 ( -0.155 -7.503 -4.304) 8.651 11.900 ( -0.155 -7.503 4.304) 8.651 11.979 ( -1.104 5.291 -3.677) 6.537 11.979 ( -1.104 5.291 3.677) 6.537 13.816 ( 1.720 -7.233 -5.023) 8.973 13.816 ( 1.720 -7.233 5.023) 8.973 14.241 ( 1.084 -2.464 -5.967) 6.546 14.241 ( 1.084 -2.464 5.967) 6.546 14.297 ( 3.516 -20.727 -1.775) 21.098 14.297 ( 3.516 -20.727 1.775) 21.098 15.295 ( 0.120 9.266 -11.053) 14.423 15.295 ( 0.120 9.266 11.053) 14.423 15.366 ( -6.250 0.031 -6.985) 9.373 15.366 ( -6.250 0.031 6.985) 9.373 15.757 ( 0.995 5.283 -0.954) 5.460 15.757 ( 0.995 5.283 0.955) 5.460 16.296 ( 0.972 0.227 -1.440) 1.752 16.296 ( 0.972 0.227 1.440) 1.752 16.872 ( 6.138 -8.193 -4.612) 11.228 16.872 ( 6.138 -8.193 4.612) 11.228 22.327 ( -7.253 5.370 -2.490) 9.362 22.327 ( -7.253 5.370 2.490) 9.362 23.672 ( -1.965 -9.100 -2.425) 9.621 23.672 ( -1.965 -9.100 2.425) 9.621 ======================= Grid point 351 (111/120) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.000 -13.212 -1.684) 13.319 1.738 ( 0.000 -13.212 1.685) 13.319 2.205 ( 0.000 -9.108 -0.279) 9.112 2.205 ( 0.000 -9.108 0.279) 9.112 2.478 ( 0.000 5.178 -5.182) 7.326 2.478 ( 0.000 5.178 5.182) 7.326 2.536 ( 0.000 2.895 -2.151) 3.607 2.536 ( 0.000 2.895 2.151) 3.607 2.761 ( 0.000 0.579 -6.622) 6.647 2.761 ( 0.000 0.579 6.622) 6.647 3.230 ( 0.000 -5.578 -4.483) 7.156 3.230 ( 0.000 -5.578 4.483) 7.156 5.420 ( 0.000 8.207 -6.259) 10.321 5.420 ( 0.000 8.207 6.259) 10.321 6.443 ( 0.000 5.951 -9.797) 11.463 6.443 ( 0.000 5.951 9.797) 11.463 6.893 ( 0.000 39.318 -2.997) 39.432 6.893 ( 0.000 39.318 2.997) 39.432 7.524 ( 0.000 1.827 -8.504) 8.698 7.524 ( 0.000 1.827 8.504) 8.698 7.855 ( 0.000 14.851 -26.977) 30.795 7.855 ( 0.000 14.851 26.977) 30.795 8.087 ( 0.000 7.009 -12.311) 14.166 8.087 ( 0.000 7.009 12.311) 14.166 8.408 ( 0.000 -2.530 -3.584) 4.387 8.408 ( 0.000 -2.530 3.584) 4.387 9.216 ( 0.000 -7.901 -13.107) 15.304 9.216 ( 0.000 -7.901 13.107) 15.304 9.472 ( 0.000 7.378 -22.473) 23.653 9.472 ( 0.000 7.378 22.473) 23.653 10.102 ( 0.000 2.415 -15.832) 16.015 10.102 ( 0.000 2.415 15.832) 16.015 10.778 ( 0.000 3.844 -2.317) 4.488 10.778 ( 0.000 3.844 2.317) 4.488 11.092 ( 0.000 14.560 -36.102) 38.927 11.092 ( 0.000 14.560 36.102) 38.927 11.767 ( 0.000 -12.462 -6.401) 14.010 11.767 ( 0.000 -12.462 6.401) 14.010 12.107 ( 0.000 -1.691 -1.246) 2.100 12.107 ( 0.000 -1.691 1.246) 2.100 12.739 ( 0.000 -8.836 -13.866) 16.442 12.739 ( 0.000 -8.836 13.866) 16.442 12.838 ( 0.000 -16.209 -0.598) 16.220 12.838 ( 0.000 -16.209 0.598) 16.220 15.246 ( 0.000 6.418 -3.707) 7.412 15.246 ( 0.000 6.418 3.707) 7.412 15.383 ( 0.000 -1.153 -14.211) 14.258 15.383 ( 0.000 -1.153 14.211) 14.258 15.643 ( 0.000 -11.266 -4.462) 12.117 15.643 ( 0.000 -11.266 4.462) 12.117 15.757 ( 0.000 5.837 -5.302) 7.886 15.757 ( 0.000 5.837 5.302) 7.886 15.960 ( 0.000 -3.818 -5.023) 6.310 15.960 ( 0.000 -3.818 5.023) 6.310 16.182 ( 0.000 -0.388 -2.243) 2.276 16.182 ( 0.000 -0.388 2.243) 2.276 23.245 ( 0.000 4.483 -8.198) 9.343 23.245 ( 0.000 4.483 8.198) 9.343 23.803 ( 0.000 -10.026 -16.386) 19.210 23.803 ( 0.000 -10.026 16.386) 19.210 ======================= Grid point 353 (112/120) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 2.449 -12.232 -1.269) 12.539 1.765 ( 2.449 -12.232 1.269) 12.539 2.187 ( -2.128 -7.915 -1.121) 8.272 2.187 ( -2.128 -7.915 1.121) 8.272 2.393 ( -4.541 4.873 -5.435) 8.597 2.393 ( -4.541 4.873 5.435) 8.597 2.606 ( 3.054 1.452 -3.149) 4.621 2.606 ( 3.054 1.452 3.149) 4.621 2.738 ( -2.082 1.178 -4.883) 5.438 2.738 ( -2.082 1.178 4.883) 5.438 3.190 ( -3.579 -5.960 -4.462) 8.261 3.190 ( -3.579 -5.960 4.462) 8.261 5.495 ( 6.628 11.606 -7.005) 15.090 5.495 ( 6.628 11.606 7.005) 15.090 6.486 ( 2.430 7.467 -9.978) 12.697 6.486 ( 2.430 7.467 9.978) 12.697 6.836 ( -7.552 31.328 -4.317) 32.514 6.836 ( -7.552 31.328 4.317) 32.514 7.348 ( -17.292 3.423 -20.460) 27.006 7.348 ( -17.292 3.423 20.460) 27.006 7.727 ( -19.741 10.656 -25.691) 34.107 7.727 ( -19.741 10.656 25.691) 34.107 8.023 ( -2.040 5.326 -21.591) 22.332 8.023 ( -2.040 5.326 21.591) 22.332 8.292 ( -5.252 -0.275 -7.048) 8.793 8.292 ( -5.252 -0.275 7.048) 8.793 9.076 ( -21.576 1.809 -7.572) 22.938 9.076 ( -21.576 1.809 7.572) 22.938 9.266 ( -0.243 2.796 -21.163) 21.348 9.266 ( -0.243 2.796 21.163) 21.348 10.142 ( 5.584 2.115 -7.569) 9.641 10.142 ( 5.584 2.115 7.569) 9.641 10.775 ( -24.918 19.548 -30.256) 43.800 10.775 ( -24.918 19.548 30.256) 43.800 11.184 ( 24.029 4.266 -18.909) 30.873 11.184 ( 24.029 4.266 18.909) 30.873 11.672 ( -7.768 -11.160 -8.532) 16.053 11.672 ( -7.768 -11.160 8.532) 16.053 12.148 ( 1.680 -1.491 -8.060) 8.368 12.148 ( 1.680 -1.491 8.060) 8.368 12.774 ( 5.675 -11.834 -17.872) 22.173 12.774 ( 5.675 -11.834 17.872) 22.173 12.986 ( 12.165 -20.971 -12.466) 27.261 12.986 ( 12.165 -20.971 12.466) 27.261 15.137 ( -9.843 7.533 -3.861) 12.982 15.137 ( -9.843 7.533 3.861) 12.982 15.378 ( 0.203 0.387 -11.173) 11.181 15.378 ( 0.203 0.387 11.173) 11.181 15.716 ( 3.486 -9.884 -3.169) 10.949 15.716 ( 3.486 -9.884 3.169) 10.949 15.768 ( 1.055 5.808 -5.844) 8.306 15.768 ( 1.055 5.808 5.844) 8.306 15.988 ( 4.072 -6.279 -2.896) 8.025 15.988 ( 4.072 -6.279 2.896) 8.025 16.178 ( 0.308 0.541 -1.945) 2.042 16.178 ( 0.308 0.541 1.945) 2.042 23.177 ( -6.648 4.701 -5.875) 10.041 23.177 ( -6.648 4.701 5.875) 10.041 23.765 ( -3.611 -10.481 -14.789) 18.483 23.765 ( -3.611 -10.481 14.789) 18.483 ======================= Grid point 355 (113/120) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 3.398 -9.768 -0.640) 10.362 1.828 ( 3.398 -9.768 0.640) 10.362 2.101 ( -5.762 -2.434 -4.985) 7.999 2.101 ( -5.762 -2.434 4.985) 7.999 2.339 ( -0.524 0.808 -1.485) 1.770 2.339 ( -0.524 0.808 1.485) 1.770 2.605 ( -3.481 -1.630 -3.511) 5.206 2.605 ( -3.481 -1.630 3.511) 5.206 2.709 ( -0.069 2.091 -5.455) 5.843 2.709 ( -0.069 2.091 5.455) 5.843 3.099 ( -4.951 -6.390 -3.946) 8.995 3.099 ( -4.951 -6.390 3.946) 8.995 5.594 ( -4.956 24.364 -15.620) 29.362 5.594 ( -4.956 24.364 15.620) 29.362 6.266 ( -30.043 2.218 -33.265) 44.879 6.266 ( -30.043 2.218 33.265) 44.879 6.448 ( -32.847 1.442 -32.146) 45.982 6.448 ( -32.847 1.442 32.146) 45.982 6.915 ( -16.275 9.720 -2.075) 19.070 6.915 ( -16.275 9.720 2.075) 19.070 7.319 ( -6.777 19.447 -3.136) 20.832 7.319 ( -6.777 19.447 3.136) 20.832 8.023 ( 1.609 -6.990 -10.073) 12.365 8.023 ( 1.609 -6.990 10.073) 12.365 8.272 ( 1.644 16.615 -4.033) 17.176 8.272 ( 1.644 16.615 4.033) 17.176 8.778 ( -8.145 9.075 -18.095) 21.820 8.778 ( -8.145 9.075 18.095) 21.820 9.299 ( 2.290 1.641 -14.924) 15.187 9.299 ( 2.290 1.641 14.924) 15.187 10.152 ( -11.699 18.397 -19.121) 28.998 10.152 ( -11.699 18.397 19.121) 28.998 10.361 ( -4.799 7.958 -11.815) 15.032 10.361 ( -4.799 7.958 11.815) 15.032 11.311 ( -10.957 -6.873 -20.446) 24.193 11.311 ( -10.957 -6.873 20.446) 24.193 11.719 ( 12.065 2.161 -10.769) 16.316 11.719 ( 12.065 2.161 10.769) 16.316 12.140 ( -2.201 -0.058 -12.083) 12.282 12.140 ( -2.201 -0.058 12.083) 12.282 12.984 ( 13.781 -17.923 -16.187) 27.806 12.984 ( 13.781 -17.923 16.187) 27.806 13.272 ( 14.101 -30.234 -9.352) 34.647 13.272 ( 14.101 -30.234 9.352) 34.647 14.885 ( -13.648 10.963 -3.845) 17.924 14.885 ( -13.648 10.963 3.845) 17.924 15.393 ( 0.524 2.764 -7.809) 8.300 15.393 ( 0.524 2.764 7.809) 8.300 15.674 ( -5.873 -5.719 -0.515) 8.214 15.674 ( -5.873 -5.719 0.515) 8.214 15.801 ( 2.129 6.757 -4.353) 8.315 15.801 ( 2.129 6.757 4.353) 8.315 16.164 ( 9.031 -7.117 -5.652) 12.813 16.164 ( 9.031 -7.117 5.652) 12.813 16.223 ( 6.321 -2.681 -4.236) 8.067 16.223 ( 6.321 -2.681 4.236) 8.067 22.976 ( -12.472 5.951 -1.164) 13.868 22.976 ( -12.472 5.951 1.164) 13.868 23.661 ( -6.282 -11.935 -10.839) 17.303 23.661 ( -6.282 -11.935 10.839) 17.303 ======================= Grid point 357 (114/120) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 3.192 -5.599 -3.693) 7.428 1.896 ( 3.192 -5.599 3.693) 7.428 2.001 ( -2.782 -0.265 -7.415) 7.924 2.001 ( -2.782 -0.265 7.415) 7.924 2.352 ( 1.295 -0.646 -2.264) 2.687 2.352 ( 1.295 -0.646 2.264) 2.687 2.525 ( -2.588 -2.381 -1.369) 3.774 2.525 ( -2.588 -2.381 1.369) 3.774 2.712 ( 0.233 -0.616 -5.446) 5.486 2.712 ( 0.233 -0.616 5.446) 5.486 3.002 ( -4.147 -5.493 -3.177) 7.581 3.002 ( -4.147 -5.493 3.177) 7.581 4.833 ( -54.693 14.435 -42.833) 70.953 4.833 ( -54.693 14.435 42.833) 70.953 5.347 ( -60.528 -6.029 -46.934) 76.830 5.347 ( -60.528 -6.029 46.934) 76.830 6.090 ( 4.368 15.986 -7.958) 18.384 6.090 ( 4.368 15.986 7.958) 18.384 6.850 ( 3.103 19.194 -3.288) 19.719 6.850 ( 3.103 19.194 3.288) 19.719 7.311 ( 0.857 11.215 -3.918) 11.911 7.311 ( 0.857 11.215 3.918) 11.911 8.080 ( 3.290 -6.494 -9.786) 12.196 8.080 ( 3.290 -6.494 9.786) 12.196 8.302 ( 0.523 25.069 -3.435) 25.308 8.302 ( 0.523 25.069 3.435) 25.308 8.583 ( -11.530 17.628 -22.024) 30.475 8.583 ( -11.530 17.628 22.024) 30.475 9.399 ( 8.771 -1.146 -14.606) 17.075 9.399 ( 8.771 -1.146 14.606) 17.075 9.989 ( -1.107 18.712 -13.289) 22.978 9.989 ( -1.107 18.712 13.289) 22.978 10.316 ( -4.901 -0.313 -5.890) 7.669 10.316 ( -4.901 -0.313 5.890) 7.669 11.111 ( -5.002 -6.796 -17.697) 19.606 11.111 ( -5.002 -6.796 17.697) 19.606 11.844 ( -2.407 -3.080 -10.513) 11.216 11.844 ( -2.407 -3.080 10.513) 11.216 12.118 ( 2.329 8.860 -10.161) 13.681 12.118 ( 2.329 8.860 10.161) 13.681 13.277 ( 13.314 -23.851 -10.640) 29.314 13.277 ( 13.314 -23.851 10.640) 29.314 13.512 ( 8.309 -37.835 -4.423) 38.988 13.512 ( 8.309 -37.835 4.423) 38.988 14.619 ( -11.260 14.399 -3.087) 18.538 14.619 ( -11.260 14.399 3.087) 18.538 15.342 ( -5.973 -4.254 -3.387) 8.078 15.342 ( -5.973 -4.254 3.387) 8.078 15.601 ( 0.221 9.100 -0.683) 9.128 15.601 ( 0.221 9.100 0.683) 9.128 15.850 ( 2.496 7.679 -1.832) 8.279 15.850 ( 2.496 7.679 1.832) 8.279 16.243 ( 2.179 -2.211 -2.866) 4.225 16.243 ( 2.179 -2.211 2.866) 4.225 16.466 ( 12.272 -11.637 -8.631) 18.987 16.466 ( 12.272 -11.637 8.631) 18.987 22.698 ( -13.412 8.645 -1.992) 16.081 22.698 ( -13.412 8.645 1.992) 16.081 23.526 ( -6.273 -14.142 -6.146) 16.647 23.526 ( -6.273 -14.142 6.146) 16.647 ======================= Grid point 359 (115/120) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 0.203 4.077 -0.443) 4.106 1.932 ( 0.203 4.077 0.443) 4.106 2.008 ( 1.927 -4.137 -6.074) 7.598 2.008 ( 1.927 -4.137 6.074) 7.598 2.398 ( 2.992 -0.759 -5.329) 6.159 2.398 ( 2.992 -0.759 5.329) 6.159 2.535 ( 2.919 -3.116 -3.942) 5.812 2.535 ( 2.919 -3.116 3.942) 5.812 2.743 ( 4.359 -2.311 -0.648) 4.976 2.743 ( 4.359 -2.311 0.648) 4.976 2.915 ( -6.122 -2.770 -4.470) 8.070 2.915 ( -6.122 -2.770 4.470) 8.070 3.903 ( -26.840 6.063 -19.082) 33.485 3.903 ( -26.840 6.063 19.082) 33.485 4.272 ( -35.738 -5.235 -25.433) 44.175 4.272 ( -35.738 -5.235 25.433) 44.175 6.176 ( 2.460 28.500 -2.097) 28.683 6.176 ( 2.460 28.500 2.097) 28.683 6.945 ( 4.490 22.891 -2.961) 23.515 6.945 ( 4.490 22.891 2.961) 23.515 7.282 ( -2.915 2.188 -5.080) 6.252 7.282 ( -2.915 2.188 5.080) 6.252 8.129 ( 1.055 -0.686 -7.454) 7.559 8.129 ( 1.055 -0.686 7.454) 7.559 8.279 ( -2.090 44.704 -3.970) 44.928 8.279 ( -2.090 44.704 3.970) 44.928 8.416 ( -3.032 -1.897 -7.721) 8.509 8.416 ( -3.032 -1.897 7.721) 8.509 9.622 ( 9.866 -5.502 -7.862) 13.763 9.622 ( 9.866 -5.502 7.862) 13.763 10.016 ( 2.194 13.452 -9.659) 16.705 10.016 ( 2.194 13.452 9.659) 16.705 10.144 ( -9.574 3.838 -2.333) 10.575 10.144 ( -9.574 3.838 2.333) 10.575 11.134 ( 4.522 -4.833 -8.862) 11.060 11.134 ( 4.522 -4.833 8.862) 11.060 11.701 ( -7.345 -8.622 -5.742) 12.699 11.701 ( -7.345 -8.622 5.742) 12.699 12.190 ( 2.566 13.299 -3.960) 14.111 12.190 ( 2.566 13.299 3.960) 14.111 13.494 ( 7.081 -25.408 -4.488) 26.755 13.494 ( 7.081 -25.408 4.488) 26.755 13.597 ( 0.314 -42.598 -1.915) 42.642 13.597 ( 0.314 -42.598 1.915) 42.642 14.455 ( -4.141 15.748 -1.243) 16.331 14.455 ( -4.141 15.748 1.243) 16.331 15.224 ( -3.685 -7.828 -0.605) 8.673 15.224 ( -3.685 -7.828 0.605) 8.673 15.631 ( 1.273 17.648 -0.394) 17.698 15.631 ( 1.273 17.648 0.394) 17.698 15.893 ( 1.289 8.511 -0.244) 8.612 15.893 ( 1.289 8.511 0.244) 8.612 16.274 ( 0.784 -2.878 -1.028) 3.156 16.274 ( 0.784 -2.878 1.028) 3.156 16.656 ( 5.185 -13.963 -4.010) 15.425 16.656 ( 5.185 -13.963 4.010) 15.425 22.484 ( -6.022 11.208 -1.380) 12.797 22.484 ( -6.022 11.208 1.380) 12.797 23.428 ( -2.664 -15.889 -1.907) 16.224 23.428 ( -2.664 -15.889 1.907) 16.224 ======================= Grid point 369 (116/120) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.000 -5.456 -0.585) 5.488 1.551 ( 0.000 -5.456 0.585) 5.488 2.087 ( 0.000 -3.112 -0.241) 3.121 2.087 ( 0.000 -3.112 0.241) 3.121 2.556 ( 0.000 1.915 -0.049) 1.916 2.556 ( 0.000 1.915 0.049) 1.916 2.587 ( 0.000 2.283 -0.795) 2.418 2.587 ( 0.000 2.283 0.795) 2.418 2.765 ( 0.000 -0.043 -2.972) 2.972 2.765 ( 0.000 -0.043 2.972) 2.972 3.143 ( 0.000 -2.886 -2.080) 3.557 3.143 ( 0.000 -2.886 2.080) 3.557 5.488 ( 0.000 1.045 -2.289) 2.516 5.488 ( 0.000 1.045 2.289) 2.516 6.523 ( 0.000 2.168 -3.366) 4.004 6.523 ( 0.000 2.168 3.366) 4.004 7.233 ( 0.000 3.197 -2.647) 4.150 7.233 ( 0.000 3.197 2.647) 4.150 7.609 ( 0.000 3.090 -1.275) 3.343 7.609 ( 0.000 3.090 1.275) 3.343 8.199 ( 0.000 4.925 -10.535) 11.629 8.199 ( 0.000 4.925 10.535) 11.629 8.257 ( 0.000 5.725 -16.216) 17.197 8.257 ( 0.000 5.725 16.216) 17.197 8.493 ( 0.000 24.051 -12.851) 27.269 8.493 ( 0.000 24.051 12.851) 27.269 8.950 ( 0.000 -18.771 -24.364) 30.756 8.950 ( 0.000 -18.771 24.364) 30.756 9.738 ( 0.000 14.859 -25.518) 29.529 9.738 ( 0.000 14.859 25.518) 29.529 10.092 ( 0.000 -3.314 -19.925) 20.199 10.092 ( 0.000 -3.314 19.925) 20.199 10.871 ( 0.000 5.189 -2.761) 5.878 10.871 ( 0.000 5.189 2.761) 5.878 11.345 ( 0.000 4.758 -21.872) 22.384 11.345 ( 0.000 4.758 21.872) 22.384 11.586 ( 0.000 2.623 -2.714) 3.774 11.586 ( 0.000 2.623 2.714) 3.774 11.926 ( 0.000 -18.193 -10.035) 20.777 11.926 ( 0.000 -18.193 10.035) 20.777 12.549 ( 0.000 -4.106 -6.631) 7.799 12.549 ( 0.000 -4.106 6.631) 7.799 12.650 ( 0.000 -5.664 -10.080) 11.563 12.650 ( 0.000 -5.664 10.080) 11.563 15.338 ( 0.000 2.410 -5.182) 5.715 15.338 ( 0.000 2.410 5.182) 5.715 15.394 ( 0.000 2.364 -3.728) 4.415 15.394 ( 0.000 2.364 3.728) 4.415 15.469 ( 0.000 -6.280 -0.105) 6.280 15.469 ( 0.000 -6.280 0.105) 6.280 15.845 ( 0.000 2.746 -2.533) 3.736 15.845 ( 0.000 2.746 2.534) 3.736 15.891 ( 0.000 -2.528 -1.915) 3.171 15.891 ( 0.000 -2.528 1.915) 3.171 16.175 ( 0.000 -0.314 -0.936) 0.987 16.175 ( 0.000 -0.314 0.936) 0.987 23.364 ( 0.000 7.224 -9.126) 11.640 23.364 ( 0.000 7.224 9.126) 11.640 23.603 ( 0.000 -9.635 -11.947) 15.348 23.603 ( 0.000 -9.635 11.947) 15.348 ======================= Grid point 371 (117/120) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 3.848 -4.951 -0.327) 6.279 1.593 ( 3.848 -4.951 0.327) 6.279 2.090 ( 0.231 -2.457 -0.377) 2.497 2.090 ( 0.231 -2.457 0.377) 2.497 2.496 ( -4.357 5.187 -4.126) 7.932 2.496 ( -4.357 5.187 4.126) 7.932 2.596 ( -0.847 -2.444 -2.727) 3.758 2.596 ( -0.847 -2.444 2.727) 3.758 2.762 ( -0.334 1.053 -1.753) 2.072 2.762 ( -0.334 1.053 1.753) 2.072 3.099 ( -3.929 -3.005 -2.273) 5.443 3.099 ( -3.929 -3.005 2.273) 5.443 5.600 ( 10.544 1.886 -2.529) 11.006 5.600 ( 10.544 1.886 2.529) 11.006 6.587 ( 4.322 2.853 -3.473) 6.236 6.587 ( 4.322 2.853 3.473) 6.236 7.146 ( -13.442 4.384 -3.294) 14.518 7.146 ( -13.442 4.384 3.294) 14.518 7.444 ( -17.567 4.199 -7.844) 19.691 7.444 ( -17.567 4.199 7.844) 19.691 7.818 ( -26.261 0.220 -13.753) 29.645 7.818 ( -26.261 0.220 13.753) 29.645 8.108 ( -15.011 0.954 -5.303) 15.949 8.108 ( -15.011 0.954 5.303) 15.949 8.525 ( 1.582 18.197 -7.923) 19.910 8.525 ( 1.582 18.197 7.923) 19.910 8.923 ( -0.267 -10.736 -12.667) 16.607 8.923 ( -0.267 -10.736 12.667) 16.607 9.607 ( -11.277 23.290 -14.525) 29.674 9.607 ( -11.277 23.290 14.525) 29.674 10.068 ( 7.288 -9.989 -8.673) 15.104 10.068 ( 7.288 -9.989 8.673) 15.104 11.121 ( -14.823 11.190 -11.141) 21.658 11.121 ( -14.823 11.190 11.141) 21.658 11.319 ( 24.103 5.820 -4.141) 25.139 11.319 ( 24.103 5.820 4.141) 25.139 11.524 ( -6.157 5.952 -11.693) 14.493 11.524 ( -6.157 5.952 11.693) 14.493 11.963 ( 2.858 -22.335 -10.901) 25.017 11.963 ( 2.858 -22.335 10.901) 25.017 12.553 ( 1.825 -5.330 -8.370) 10.089 12.553 ( 1.825 -5.330 8.370) 10.089 12.669 ( 1.960 -9.791 -10.572) 14.542 12.669 ( 1.960 -9.791 10.572) 14.542 15.253 ( -6.832 3.720 -0.722) 7.813 15.253 ( -6.832 3.720 0.722) 7.813 15.428 ( 2.512 4.629 -2.311) 5.752 15.428 ( 2.512 4.629 2.311) 5.752 15.545 ( 4.421 -7.573 -1.851) 8.963 15.545 ( 4.421 -7.573 1.851) 8.963 15.857 ( 0.919 1.996 -4.127) 4.676 15.857 ( 0.919 1.996 4.127) 4.676 15.885 ( 1.609 -2.844 -0.568) 3.316 15.885 ( 1.609 -2.844 0.568) 3.316 16.179 ( 0.471 -0.198 -0.638) 0.817 16.179 ( 0.471 -0.198 0.638) 0.817 23.300 ( -6.101 7.343 -7.260) 11.994 23.300 ( -6.101 7.343 7.260) 11.994 23.558 ( -4.434 -9.867 -10.333) 14.959 23.558 ( -4.434 -9.867 10.333) 14.959 ======================= Grid point 373 (118/120) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 5.630 -3.626 -0.737) 6.738 1.694 ( 5.630 -3.626 0.737) 6.738 2.092 ( -0.351 0.134 -1.226) 1.282 2.092 ( -0.351 0.134 1.226) 1.282 2.396 ( -4.723 4.475 -2.269) 6.891 2.396 ( -4.723 4.475 2.269) 6.891 2.541 ( -3.947 -4.473 -2.853) 6.613 2.541 ( -3.947 -4.473 2.853) 6.613 2.744 ( -1.616 1.190 -3.509) 4.042 2.744 ( -1.616 1.190 3.509) 4.042 3.006 ( -4.484 -2.824 -2.412) 5.823 3.006 ( -4.484 -2.824 2.412) 5.823 5.874 ( 11.736 6.658 -6.177) 14.840 5.874 ( 11.736 6.658 6.177) 14.840 6.321 ( -43.557 3.061 -33.937) 55.302 6.321 ( -43.557 3.061 33.937) 55.302 6.431 ( -48.703 -2.320 -33.750) 59.299 6.431 ( -48.703 -2.320 33.750) 59.299 7.094 ( -2.419 6.989 -1.888) 7.633 7.094 ( -2.419 6.989 1.888) 7.633 7.537 ( -3.183 5.421 -2.884) 6.917 7.537 ( -3.183 5.421 2.884) 6.917 7.800 ( -11.066 -9.776 -4.448) 15.421 7.800 ( -11.066 -9.776 4.448) 15.421 8.565 ( 2.923 6.021 -2.576) 7.172 8.565 ( 2.923 6.021 2.576) 7.172 9.005 ( 6.110 7.230 -4.487) 10.475 9.005 ( 6.110 7.230 4.487) 10.475 9.479 ( -1.821 16.858 -7.605) 18.584 9.479 ( -1.821 16.858 7.605) 18.584 10.217 ( 4.865 -6.059 -2.764) 8.248 10.217 ( 4.865 -6.059 2.764) 8.248 10.680 ( -22.566 13.304 -11.295) 28.528 10.680 ( -22.566 13.304 11.295) 28.528 11.358 ( -8.610 18.140 -14.438) 24.732 11.358 ( -8.610 18.140 14.438) 24.732 11.733 ( 10.461 -2.132 -9.096) 14.025 11.733 ( 10.461 -2.132 9.096) 14.025 12.051 ( 6.881 -16.548 -12.620) 21.919 12.051 ( 6.881 -16.548 12.620) 21.919 12.634 ( 4.911 -10.376 -4.087) 12.185 12.634 ( 4.911 -10.376 4.087) 12.185 12.756 ( 7.339 -17.613 -10.204) 21.638 12.756 ( 7.339 -17.613 10.204) 21.638 15.079 ( -9.714 7.640 -1.258) 12.422 15.079 ( -9.714 7.640 1.258) 12.422 15.402 ( -7.135 -2.546 -2.167) 7.879 15.402 ( -7.135 -2.546 2.167) 7.879 15.634 ( 6.972 1.677 -2.529) 7.604 15.634 ( 6.972 1.677 2.529) 7.604 15.914 ( 3.716 4.340 -1.098) 5.818 15.914 ( 3.716 4.340 1.098) 5.818 16.002 ( 9.288 -7.114 -3.138) 12.113 16.002 ( 9.288 -7.114 3.138) 12.113 16.194 ( 1.087 -1.160 -0.635) 1.712 16.194 ( 1.087 -1.160 0.635) 1.712 23.125 ( -10.343 8.683 -3.712) 14.005 23.125 ( -10.343 8.683 3.712) 14.005 23.424 ( -8.362 -11.315 -7.056) 15.740 23.424 ( -8.362 -11.315 7.056) 15.740 ======================= Grid point 375 (119/120) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 6.560 -1.650 -2.847) 7.339 1.818 ( 6.560 -1.650 2.847) 7.339 2.061 ( -2.392 3.185 -2.556) 4.733 2.061 ( -2.392 3.185 2.556) 4.733 2.345 ( 0.444 0.028 -0.411) 0.606 2.345 ( 0.444 0.028 0.411) 0.606 2.473 ( -1.592 -2.571 -0.432) 3.055 2.473 ( -1.592 -2.571 0.432) 3.055 2.698 ( -2.420 -0.602 -3.214) 4.068 2.698 ( -2.420 -0.602 3.214) 4.068 2.932 ( -2.438 -1.774 -1.833) 3.528 2.932 ( -2.438 -1.774 1.833) 3.528 5.051 ( -60.840 9.370 -45.781) 76.715 5.051 ( -60.840 9.370 45.781) 76.715 5.218 ( -60.939 -7.439 -46.375) 76.939 5.218 ( -60.939 -7.439 46.375) 76.939 6.307 ( 17.241 6.239 -2.138) 18.459 6.307 ( 17.241 6.239 2.138) 18.459 7.209 ( 6.567 15.457 -5.485) 17.667 7.209 ( 6.567 15.457 5.485) 17.667 7.418 ( -8.338 3.239 -1.610) 9.089 7.418 ( -8.338 3.239 1.610) 9.089 7.746 ( 4.367 -17.561 -4.781) 18.717 7.746 ( 4.367 -17.561 4.781) 18.717 8.611 ( 0.278 7.797 -8.876) 11.818 8.611 ( 0.278 7.797 8.876) 11.818 9.038 ( -5.138 8.831 -2.519) 10.523 9.038 ( -5.138 8.831 2.519) 10.523 9.509 ( 5.268 14.370 -5.807) 16.370 9.509 ( 5.268 14.370 5.807) 16.370 10.197 ( -8.253 -8.758 -5.042) 13.047 10.197 ( -8.253 -8.758 5.042) 13.047 10.422 ( 2.136 17.388 -11.168) 20.776 10.422 ( 2.136 17.388 11.168) 20.776 11.198 ( -6.677 20.223 -15.434) 26.302 11.198 ( -6.677 20.223 15.434) 26.302 11.773 ( -3.658 -4.848 -11.871) 13.334 11.773 ( -3.658 -4.848 11.871) 13.334 12.195 ( 4.973 -13.526 -8.044) 16.505 12.195 ( 4.973 -13.526 8.044) 16.505 12.737 ( 5.080 -13.021 -3.437) 14.393 12.737 ( 5.080 -13.021 3.437) 14.393 12.944 ( 9.346 -20.765 -10.840) 25.220 12.944 ( 9.346 -20.765 10.840) 25.220 14.884 ( -8.401 11.661 -1.168) 14.419 14.884 ( -8.401 11.661 1.168) 14.419 15.204 ( -10.209 -8.216 -0.674) 13.122 15.204 ( -10.209 -8.216 0.674) 13.122 15.818 ( 9.437 10.579 -1.835) 14.295 15.818 ( 9.437 10.579 1.835) 14.295 15.993 ( 3.912 6.504 -0.213) 7.593 15.993 ( 3.912 6.504 0.213) 7.593 16.161 ( 3.347 -6.816 -1.791) 7.802 16.161 ( 3.347 -6.816 1.791) 7.802 16.253 ( 5.978 -8.032 -4.742) 11.079 16.253 ( 5.978 -8.032 4.742) 11.079 22.906 ( -10.110 12.280 -0.965) 15.936 22.906 ( -10.110 12.280 0.965) 15.936 23.237 ( -9.003 -14.718 -3.741) 17.654 23.237 ( -9.003 -14.718 3.741) 17.654 ======================= Grid point 377 (120/120) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.55e-05 8.55e-05 8.55e-05 8.55e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 5.802 0.353 -4.340) 7.254 1.957 ( 5.802 0.353 4.340) 7.254 2.022 ( -1.443 2.045 -3.172) 4.040 2.022 ( -1.443 2.045 3.172) 4.040 2.402 ( 4.022 0.401 -3.027) 5.050 2.402 ( 4.022 0.401 3.027) 5.050 2.480 ( 0.338 -2.070 -2.200) 3.040 2.480 ( 0.338 -2.070 2.200) 3.040 2.707 ( 6.422 -1.153 -0.656) 6.557 2.707 ( 6.422 -1.153 0.656) 6.557 2.886 ( -4.441 -0.593 -1.594) 4.755 2.886 ( -4.441 -0.593 1.594) 4.755 4.015 ( -30.987 5.428 -18.615) 36.554 4.015 ( -30.987 5.428 18.615) 36.554 4.166 ( -34.741 -5.366 -20.330) 40.608 4.166 ( -34.741 -5.366 20.330) 40.608 6.624 ( 11.382 17.730 -0.774) 21.083 6.624 ( 11.382 17.730 0.774) 21.083 7.140 ( -8.335 -10.041 -2.031) 13.207 7.140 ( -8.335 -10.041 2.031) 13.207 7.418 ( 4.222 21.545 -0.858) 21.971 7.418 ( 4.222 21.545 0.858) 21.971 7.843 ( 3.157 -19.116 -3.384) 19.668 7.843 ( 3.157 -19.116 3.384) 19.668 8.570 ( -2.851 16.829 -7.644) 18.702 8.570 ( -2.851 16.829 7.644) 18.702 8.880 ( -5.977 -0.900 -4.689) 7.650 8.880 ( -5.977 -0.900 4.689) 7.650 9.675 ( 8.557 12.527 -3.084) 15.481 9.675 ( 8.557 12.527 3.084) 15.481 10.015 ( -7.999 -7.390 -3.847) 11.550 10.015 ( -7.999 -7.390 3.847) 11.550 10.583 ( 8.270 30.727 -7.739) 32.748 10.583 ( 8.270 30.727 7.739) 32.748 11.087 ( -3.866 0.534 -11.288) 11.944 11.087 ( -3.866 0.534 11.288) 11.944 11.667 ( -4.430 9.634 -6.482) 12.428 11.667 ( -4.430 9.634 6.482) 12.428 12.249 ( 0.946 -26.814 -2.613) 26.957 12.249 ( 0.946 -26.814 2.614) 26.957 12.822 ( 2.485 -8.258 -2.073) 8.870 12.822 ( 2.485 -8.258 2.073) 8.870 13.088 ( 3.882 -21.845 -4.446) 22.629 13.088 ( 3.882 -21.845 4.446) 22.629 14.762 ( -3.072 15.133 -0.546) 15.451 14.762 ( -3.072 15.133 0.546) 15.451 15.039 ( -4.729 -11.430 -0.163) 12.371 15.039 ( -4.729 -11.430 0.163) 12.371 15.959 ( 3.398 15.314 -0.486) 15.695 15.959 ( 3.398 15.314 0.486) 15.695 16.071 ( 3.048 10.314 -1.238) 10.826 16.071 ( 3.048 10.314 1.238) 10.826 16.182 ( 0.015 -6.578 -0.565) 6.602 16.182 ( 0.015 -6.578 0.565) 6.602 16.363 ( 3.119 -15.760 -3.175) 16.376 16.363 ( 3.119 -15.760 3.175) 16.376 22.749 ( -4.298 16.163 -0.193) 16.726 22.749 ( -4.298 16.163 0.193) 16.726 23.094 ( -3.987 -18.257 -1.061) 18.717 23.094 ( -3.987 -18.257 1.061) 18.717 =================== 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 3/37800 10.0 1032.096 1496.725 1463.095 0.000 0.000 0.000 3/37800 20.0 215.180 195.060 195.159 0.000 0.000 0.000 3/37800 30.0 85.706 85.075 82.555 0.000 0.000 -0.000 3/37800 40.0 45.202 46.858 45.886 0.000 0.000 -0.000 3/37800 50.0 28.771 29.843 29.965 0.000 0.000 -0.000 3/37800 60.0 20.828 21.143 21.899 0.000 0.000 -0.000 3/37800 70.0 16.414 16.181 17.287 0.000 0.000 -0.000 3/37800 80.0 13.656 13.081 14.363 0.000 0.000 -0.000 3/37800 90.0 11.763 10.995 12.345 0.000 0.000 -0.000 3/37800 100.0 10.369 9.506 10.859 0.000 0.000 -0.000 3/37800 110.0 9.288 8.390 9.711 0.000 0.000 -0.000 3/37800 120.0 8.420 7.523 8.791 0.000 0.000 -0.000 3/37800 130.0 7.704 6.828 8.037 0.000 0.000 -0.000 3/37800 140.0 7.103 6.258 7.404 0.000 0.000 -0.000 3/37800 150.0 6.589 5.781 6.866 0.000 0.000 -0.000 3/37800 160.0 6.145 5.376 6.402 0.000 0.000 -0.000 3/37800 170.0 5.758 5.027 5.998 0.000 0.000 -0.000 3/37800 180.0 5.417 4.723 5.643 0.000 0.000 -0.000 3/37800 190.0 5.114 4.455 5.329 0.000 0.000 -0.000 3/37800 200.0 4.844 4.217 5.048 0.000 0.000 -0.000 3/37800 210.0 4.601 4.005 4.796 0.000 0.000 -0.000 3/37800 220.0 4.382 3.813 4.568 0.000 0.000 -0.000 3/37800 230.0 4.183 3.640 4.362 0.000 0.000 -0.000 3/37800 240.0 4.002 3.483 4.173 0.000 0.000 -0.000 3/37800 250.0 3.835 3.339 4.001 0.000 0.000 -0.000 3/37800 260.0 3.683 3.206 3.842 0.000 0.000 -0.000 3/37800 270.0 3.542 3.085 3.696 0.000 0.000 -0.000 3/37800 280.0 3.411 2.972 3.561 0.000 0.000 -0.000 3/37800 290.0 3.290 2.868 3.435 0.000 0.000 -0.000 3/37800 300.0 3.178 2.770 3.318 0.000 0.000 -0.000 3/37800 310.0 3.073 2.680 3.209 0.000 0.000 -0.000 3/37800 320.0 2.975 2.595 3.107 0.000 0.000 -0.000 3/37800 330.0 2.883 2.515 3.012 0.000 0.000 -0.000 3/37800 340.0 2.796 2.441 2.922 0.000 0.000 -0.000 3/37800 350.0 2.715 2.370 2.837 0.000 0.000 -0.000 3/37800 360.0 2.638 2.304 2.757 0.000 0.000 -0.000 3/37800 370.0 2.566 2.242 2.682 0.000 0.000 -0.000 3/37800 380.0 2.497 2.182 2.611 0.000 0.000 -0.000 3/37800 390.0 2.432 2.126 2.543 0.000 0.000 -0.000 3/37800 400.0 2.371 2.073 2.479 0.000 0.000 -0.000 3/37800 410.0 2.312 2.022 2.418 0.000 0.000 -0.000 3/37800 420.0 2.256 1.974 2.360 0.000 0.000 -0.000 3/37800 430.0 2.203 1.928 2.305 0.000 0.000 -0.000 3/37800 440.0 2.153 1.884 2.252 0.000 0.000 -0.000 3/37800 450.0 2.104 1.842 2.202 0.000 0.000 -0.000 3/37800 460.0 2.058 1.802 2.154 0.000 0.000 -0.000 3/37800 470.0 2.014 1.764 2.108 0.000 0.000 -0.000 3/37800 480.0 1.972 1.727 2.063 0.000 0.000 -0.000 3/37800 490.0 1.931 1.692 2.021 0.000 0.000 -0.000 3/37800 500.0 1.892 1.658 1.981 0.000 0.000 -0.000 3/37800 510.0 1.855 1.625 1.942 0.000 0.000 -0.000 3/37800 520.0 1.819 1.594 1.904 0.000 0.000 -0.000 3/37800 530.0 1.785 1.564 1.868 0.000 0.000 -0.000 3/37800 540.0 1.751 1.535 1.833 0.000 0.000 -0.000 3/37800 550.0 1.719 1.507 1.800 0.000 0.000 -0.000 3/37800 560.0 1.688 1.481 1.768 0.000 0.000 -0.000 3/37800 570.0 1.659 1.455 1.737 0.000 0.000 -0.000 3/37800 580.0 1.630 1.430 1.707 0.000 0.000 -0.000 3/37800 590.0 1.602 1.405 1.678 0.000 0.000 -0.000 3/37800 600.0 1.575 1.382 1.650 0.000 0.000 -0.000 3/37800 610.0 1.549 1.359 1.623 0.000 0.000 -0.000 3/37800 620.0 1.524 1.338 1.596 0.000 0.000 -0.000 3/37800 630.0 1.500 1.316 1.571 0.000 0.000 -0.000 3/37800 640.0 1.477 1.296 1.546 0.000 0.000 -0.000 3/37800 650.0 1.454 1.276 1.523 0.000 0.000 -0.000 3/37800 660.0 1.432 1.257 1.500 0.000 0.000 -0.000 3/37800 670.0 1.410 1.238 1.477 0.000 0.000 -0.000 3/37800 680.0 1.389 1.220 1.455 0.000 0.000 -0.000 3/37800 690.0 1.369 1.202 1.434 0.000 0.000 -0.000 3/37800 700.0 1.350 1.185 1.414 0.000 0.000 -0.000 3/37800 710.0 1.331 1.168 1.394 0.000 0.000 -0.000 3/37800 720.0 1.312 1.152 1.374 0.000 0.000 -0.000 3/37800 730.0 1.294 1.136 1.356 0.000 0.000 -0.000 3/37800 740.0 1.277 1.121 1.337 0.000 0.000 -0.000 3/37800 750.0 1.259 1.106 1.319 0.000 0.000 -0.000 3/37800 760.0 1.243 1.092 1.302 0.000 0.000 -0.000 3/37800 770.0 1.227 1.078 1.285 0.000 0.000 -0.000 3/37800 780.0 1.211 1.064 1.269 0.000 0.000 -0.000 3/37800 790.0 1.196 1.050 1.253 0.000 0.000 -0.000 3/37800 800.0 1.181 1.037 1.237 0.000 0.000 -0.000 3/37800 810.0 1.166 1.024 1.222 0.000 0.000 -0.000 3/37800 820.0 1.152 1.012 1.207 0.000 0.000 -0.000 3/37800 830.0 1.138 1.000 1.192 0.000 0.000 -0.000 3/37800 840.0 1.124 0.988 1.178 0.000 0.000 -0.000 3/37800 850.0 1.111 0.976 1.164 0.000 0.000 -0.000 3/37800 860.0 1.098 0.965 1.151 0.000 0.000 -0.000 3/37800 870.0 1.085 0.954 1.137 0.000 0.000 -0.000 3/37800 880.0 1.073 0.943 1.125 0.000 0.000 -0.000 3/37800 890.0 1.061 0.933 1.112 0.000 0.000 -0.000 3/37800 900.0 1.049 0.922 1.100 0.000 0.000 -0.000 3/37800 910.0 1.038 0.912 1.087 0.000 0.000 -0.000 3/37800 920.0 1.026 0.902 1.076 0.000 0.000 -0.000 3/37800 930.0 1.015 0.893 1.064 0.000 0.000 -0.000 3/37800 940.0 1.005 0.883 1.053 0.000 0.000 -0.000 3/37800 950.0 0.994 0.874 1.042 0.000 0.000 -0.000 3/37800 960.0 0.984 0.865 1.031 0.000 0.000 -0.000 3/37800 970.0 0.973 0.856 1.020 0.000 0.000 -0.000 3/37800 980.0 0.964 0.847 1.010 0.000 0.000 -0.000 3/37800 990.0 0.954 0.839 1.000 0.000 0.000 -0.000 3/37800 1000.0 0.944 0.830 0.990 0.000 0.000 -0.000 3/37800 Thermal conductivity related properties were written into "kappa-m9710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:25:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|