----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:13:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.942599675262348 -4.526950910000000 0.000000000000000 b 4.942599675262348 4.526950910000000 0.000000000000000 c -1.599328613187244 0.000000000000000 5.125249978606315 Atomic positions (fractional): *1 O 0.65555225369785 0.64309709020163 0.47894389139458 15.999 2 O 0.35690290979837 0.34444774630215 0.02105610860542 15.999 3 O 0.34444774630215 0.35690290979837 0.52105610860542 15.999 4 O 0.64309709020163 0.65555225369785 0.97894389139458 15.999 *5 O 0.89027928676233 0.39116799151244 0.19460255146862 15.999 6 O 0.60883200848756 0.10972071323767 0.30539744853138 15.999 7 O 0.10972071323767 0.60883200848756 0.80539744853138 15.999 8 O 0.39116799151244 0.89027928676233 0.69460255146862 15.999 *9 O 0.80350936101444 0.96187621156206 0.85459526758419 15.999 10 O 0.03812378843794 0.19649063898556 0.64540473241581 15.999 11 O 0.19649063898556 0.03812378843794 0.14540473241581 15.999 12 O 0.96187621156206 0.80350936101444 0.35459526758419 15.999 *13 Na 0.30118808199529 0.69881191800471 0.25000000000000 22.990 14 Na 0.69881191800471 0.30118808199529 0.75000000000000 22.990 *15 Si 0.79703424065183 0.62192673686394 0.25642782449628 28.085 16 Si 0.62192673686394 0.79703424065183 0.75642782449628 28.085 17 Si 0.37807326313606 0.20296575934817 0.24357217550372 28.085 18 Si 0.20296575934817 0.37807326313606 0.74357217550372 28.085 *19 Sc 0.89627630991190 0.10372369008809 0.25000000000000 44.956 20 Sc 0.10372369008810 0.89627630991190 0.75000000000000 44.956 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.885199350524696 0.000000000000000 0.000000000000000 b 0.000000000000000 9.053901820000000 0.000000000000000 c -1.599328613187244 0.000000000000000 5.125249978606315 Atomic positions (fractional): *1 O 0.14932467194974 0.49377241825189 0.47894389139458 15.999 > 1 2 O 0.85067532805026 0.49377241825189 0.02105610860542 15.999 > 2 3 O 0.85067532805026 0.50622758174811 0.52105610860542 15.999 > 3 4 O 0.14932467194974 0.50622758174811 0.97894389139458 15.999 > 4 *5 O 0.14072363913738 0.25044435237506 0.19460255146862 15.999 > 5 6 O 0.85927636086262 0.25044435237506 0.30539744853138 15.999 > 6 7 O 0.85927636086262 0.74955564762494 0.80539744853138 15.999 > 7 8 O 0.14072363913738 0.74955564762494 0.69460255146862 15.999 > 8 *9 O 0.38269278628825 0.57918342527381 0.85459526758419 15.999 > 9 10 O 0.61730721371175 0.57918342527381 0.64540473241581 15.999 > 10 11 O 0.61730721371175 0.42081657472619 0.14540473241581 15.999 > 11 12 O 0.38269278628825 0.42081657472619 0.35459526758419 15.999 > 12 13 O 0.64932467194974 0.99377241825189 0.47894389139458 15.999 > 1 14 O 0.35067532805026 0.99377241825189 0.02105610860542 15.999 > 2 15 O 0.35067532805026 0.00622758174811 0.52105610860542 15.999 > 3 16 O 0.64932467194974 0.00622758174811 0.97894389139458 15.999 > 4 17 O 0.64072363913738 0.75044435237506 0.19460255146862 15.999 > 5 18 O 0.35927636086262 0.75044435237506 0.30539744853138 15.999 > 6 19 O 0.35927636086262 0.24955564762495 0.80539744853138 15.999 > 7 20 O 0.64072363913738 0.24955564762495 0.69460255146862 15.999 > 8 21 O 0.88269278628825 0.07918342527381 0.85459526758419 15.999 > 9 22 O 0.11730721371175 0.07918342527381 0.64540473241581 15.999 > 10 23 O 0.11730721371175 0.92081657472619 0.14540473241581 15.999 > 11 24 O 0.88269278628825 0.92081657472619 0.35459526758419 15.999 > 12 *25 Na 0.00000000000000 0.69881191800471 0.25000000000000 22.990 > 13 26 Na 0.00000000000000 0.30118808199529 0.75000000000000 22.990 > 14 27 Na 0.50000000000000 0.19881191800471 0.25000000000000 22.990 > 13 28 Na 0.50000000000000 0.80118808199529 0.75000000000000 22.990 > 14 *29 Si 0.20948048875788 0.41244624810605 0.25642782449628 28.085 > 15 30 Si 0.20948048875788 0.58755375189395 0.75642782449628 28.085 > 16 31 Si 0.79051951124211 0.41244624810605 0.24357217550372 28.085 > 17 32 Si 0.79051951124211 0.58755375189395 0.74357217550372 28.085 > 18 33 Si 0.70948048875789 0.91244624810605 0.25642782449628 28.085 > 15 34 Si 0.70948048875789 0.08755375189395 0.75642782449628 28.085 > 16 35 Si 0.29051951124212 0.91244624810605 0.24357217550372 28.085 > 17 36 Si 0.29051951124212 0.08755375189395 0.74357217550372 28.085 > 18 *37 Sc 0.00000000000000 0.10372369008809 0.25000000000000 44.956 > 19 38 Sc 0.00000000000000 0.89627630991190 0.75000000000000 44.956 > 20 39 Sc 0.50000000000000 0.60372369008810 0.25000000000000 44.956 > 19 40 Sc 0.50000000000000 0.39627630991190 0.75000000000000 44.956 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.885199350524696 0.000000000000000 0.000000000000000 b 0.000000000000000 9.053901820000000 0.000000000000000 c -3.198657226374488 0.000000000000000 10.250499957212631 Atomic positions (fractional): *1 O 0.14932467194974 0.49377241825189 0.23947194569729 15.999 > 1 2 O 0.14932467194974 0.49377241825189 0.73947194569729 15.999 > 1 3 O 0.85067532805026 0.49377241825189 0.01052805430271 15.999 > 2 4 O 0.85067532805026 0.49377241825189 0.51052805430271 15.999 > 2 5 O 0.85067532805026 0.50622758174811 0.26052805430271 15.999 > 3 6 O 0.85067532805026 0.50622758174811 0.76052805430271 15.999 > 3 7 O 0.14932467194974 0.50622758174811 0.48947194569729 15.999 > 4 8 O 0.14932467194974 0.50622758174811 0.98947194569729 15.999 > 4 *9 O 0.14072363913738 0.25044435237506 0.09730127573431 15.999 > 5 10 O 0.14072363913738 0.25044435237506 0.59730127573431 15.999 > 5 11 O 0.85927636086262 0.25044435237506 0.15269872426569 15.999 > 6 12 O 0.85927636086262 0.25044435237506 0.65269872426569 15.999 > 6 13 O 0.85927636086262 0.74955564762494 0.40269872426569 15.999 > 7 14 O 0.85927636086262 0.74955564762494 0.90269872426569 15.999 > 7 15 O 0.14072363913738 0.74955564762494 0.34730127573431 15.999 > 8 16 O 0.14072363913738 0.74955564762494 0.84730127573431 15.999 > 8 *17 O 0.38269278628825 0.57918342527381 0.42729763379210 15.999 > 9 18 O 0.38269278628825 0.57918342527381 0.92729763379210 15.999 > 9 19 O 0.61730721371175 0.57918342527381 0.32270236620790 15.999 > 10 20 O 0.61730721371175 0.57918342527381 0.82270236620790 15.999 > 10 21 O 0.61730721371175 0.42081657472619 0.07270236620790 15.999 > 11 22 O 0.61730721371175 0.42081657472619 0.57270236620790 15.999 > 11 23 O 0.38269278628825 0.42081657472619 0.17729763379210 15.999 > 12 24 O 0.38269278628825 0.42081657472619 0.67729763379210 15.999 > 12 25 O 0.64932467194974 0.99377241825189 0.23947194569729 15.999 > 1 26 O 0.64932467194974 0.99377241825189 0.73947194569729 15.999 > 1 27 O 0.35067532805026 0.99377241825189 0.01052805430271 15.999 > 2 28 O 0.35067532805026 0.99377241825189 0.51052805430271 15.999 > 2 29 O 0.35067532805026 0.00622758174811 0.26052805430271 15.999 > 3 30 O 0.35067532805026 0.00622758174811 0.76052805430271 15.999 > 3 31 O 0.64932467194974 0.00622758174811 0.48947194569729 15.999 > 4 32 O 0.64932467194974 0.00622758174811 0.98947194569729 15.999 > 4 33 O 0.64072363913738 0.75044435237506 0.09730127573431 15.999 > 5 34 O 0.64072363913738 0.75044435237506 0.59730127573431 15.999 > 5 35 O 0.35927636086262 0.75044435237506 0.15269872426569 15.999 > 6 36 O 0.35927636086262 0.75044435237506 0.65269872426569 15.999 > 6 37 O 0.35927636086262 0.24955564762495 0.40269872426569 15.999 > 7 38 O 0.35927636086262 0.24955564762495 0.90269872426569 15.999 > 7 39 O 0.64072363913738 0.24955564762495 0.34730127573431 15.999 > 8 40 O 0.64072363913738 0.24955564762495 0.84730127573431 15.999 > 8 41 O 0.88269278628825 0.07918342527381 0.42729763379210 15.999 > 9 42 O 0.88269278628825 0.07918342527381 0.92729763379210 15.999 > 9 43 O 0.11730721371175 0.07918342527381 0.32270236620790 15.999 > 10 44 O 0.11730721371175 0.07918342527381 0.82270236620790 15.999 > 10 45 O 0.11730721371175 0.92081657472619 0.07270236620790 15.999 > 11 46 O 0.11730721371175 0.92081657472619 0.57270236620790 15.999 > 11 47 O 0.88269278628825 0.92081657472619 0.17729763379210 15.999 > 12 48 O 0.88269278628825 0.92081657472619 0.67729763379210 15.999 > 12 *49 Na 0.00000000000000 0.69881191800471 0.12500000000000 22.990 > 13 50 Na 0.00000000000000 0.69881191800471 0.62500000000000 22.990 > 13 51 Na 0.00000000000000 0.30118808199529 0.37500000000000 22.990 > 14 52 Na 0.00000000000000 0.30118808199529 0.87500000000000 22.990 > 14 53 Na 0.50000000000000 0.19881191800471 0.12500000000000 22.990 > 13 54 Na 0.50000000000000 0.19881191800471 0.62500000000000 22.990 > 13 55 Na 0.50000000000000 0.80118808199529 0.37500000000000 22.990 > 14 56 Na 0.50000000000000 0.80118808199529 0.87500000000000 22.990 > 14 *57 Si 0.20948048875788 0.41244624810605 0.12821391224814 28.085 > 15 58 Si 0.20948048875788 0.41244624810605 0.62821391224814 28.085 > 15 59 Si 0.20948048875788 0.58755375189395 0.37821391224814 28.085 > 16 60 Si 0.20948048875788 0.58755375189395 0.87821391224814 28.085 > 16 61 Si 0.79051951124211 0.41244624810605 0.12178608775186 28.085 > 17 62 Si 0.79051951124211 0.41244624810605 0.62178608775186 28.085 > 17 63 Si 0.79051951124211 0.58755375189395 0.37178608775186 28.085 > 18 64 Si 0.79051951124211 0.58755375189395 0.87178608775186 28.085 > 18 65 Si 0.70948048875789 0.91244624810605 0.12821391224814 28.085 > 15 66 Si 0.70948048875789 0.91244624810605 0.62821391224814 28.085 > 15 67 Si 0.70948048875789 0.08755375189395 0.37821391224814 28.085 > 16 68 Si 0.70948048875789 0.08755375189395 0.87821391224814 28.085 > 16 69 Si 0.29051951124212 0.91244624810605 0.12178608775186 28.085 > 17 70 Si 0.29051951124212 0.91244624810605 0.62178608775186 28.085 > 17 71 Si 0.29051951124212 0.08755375189395 0.37178608775186 28.085 > 18 72 Si 0.29051951124212 0.08755375189395 0.87178608775186 28.085 > 18 *73 Sc 0.00000000000000 0.10372369008809 0.12500000000000 44.956 > 19 74 Sc 0.00000000000000 0.10372369008809 0.62500000000000 44.956 > 19 75 Sc 0.00000000000000 0.89627630991190 0.37500000000000 44.956 > 20 76 Sc 0.00000000000000 0.89627630991190 0.87500000000000 44.956 > 20 77 Sc 0.50000000000000 0.60372369008810 0.12500000000000 44.956 > 19 78 Sc 0.50000000000000 0.60372369008810 0.62500000000000 44.956 > 19 79 Sc 0.50000000000000 0.39627630991190 0.37500000000000 44.956 > 20 80 Sc 0.50000000000000 0.39627630991190 0.87500000000000 44.956 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1860187 0.0000000 0.0391293 0.0000000 3.1830617 0.0000000 0.0391294 0.0000000 3.0939165 -------------------------- Born effective charges -------------------------- 1 O -1.5078024 0.2732339 0.2923225 0.2321273 -1.6886270 -0.7375814 0.2268463 -0.7365843 -2.3397225 2 O -1.5078024 -0.2732339 0.2923225 -0.2321273 -1.6886270 0.7375814 0.2268463 0.7365843 -2.3397225 3 O -1.5078024 0.2732339 0.2923225 0.2321273 -1.6886270 -0.7375814 0.2268463 -0.7365843 -2.3397225 4 O -1.5078024 -0.2732339 0.2923225 -0.2321273 -1.6886270 0.7375814 0.2268463 0.7365843 -2.3397225 5 O -2.0510199 -1.0584522 0.0179703 -1.0015823 -2.5629341 -0.0340526 -0.0277529 -0.0811576 -1.3316245 6 O -2.0510199 1.0584522 0.0179703 1.0015823 -2.5629341 0.0340526 -0.0277529 0.0811576 -1.3316245 7 O -2.0510199 -1.0584522 0.0179703 -1.0015823 -2.5629341 -0.0340526 -0.0277529 -0.0811576 -1.3316245 8 O -2.0510199 1.0584522 0.0179703 1.0015823 -2.5629341 0.0340526 -0.0277529 0.0811576 -1.3316245 9 O -2.2950145 0.4512260 -0.3791900 0.3800404 -1.6352305 -0.2966033 -0.3115467 -0.2362413 -2.1349177 10 O -2.2950145 -0.4512260 -0.3791900 -0.3800404 -1.6352305 0.2966033 -0.3115467 0.2362413 -2.1349177 11 O -2.2950145 0.4512260 -0.3791900 0.3800404 -1.6352305 -0.2966033 -0.3115467 -0.2362413 -2.1349177 12 O -2.2950145 -0.4512260 -0.3791900 -0.3800404 -1.6352305 0.2966033 -0.3115467 0.2362413 -2.1349177 13 Na 1.0962724 0.0000000 -0.0168037 0.0000000 1.1230828 0.0000000 0.0090915 0.0000000 1.1275732 14 Na 1.0962724 0.0000000 -0.0168037 0.0000000 1.1230828 0.0000000 0.0090915 0.0000000 1.1275732 15 Si 3.3405908 0.6638337 0.0598278 0.3235876 3.4262376 0.1435288 0.1226287 0.0530609 3.5053305 16 Si 3.3405908 -0.6638337 0.0598278 -0.3235876 3.4262376 -0.1435288 0.1226287 -0.0530609 3.5053305 17 Si 3.3405908 -0.6638337 0.0598278 -0.3235876 3.4262376 -0.1435288 0.1226287 -0.0530609 3.5053305 18 Si 3.3405908 0.6638337 0.0598278 0.3235876 3.4262376 0.1435288 0.1226287 0.0530609 3.5053305 19 Sc 3.9302196 0.0000000 0.0349425 0.0000000 3.7980251 0.0000000 -0.0294424 0.0000000 3.4742952 20 Sc 3.9302196 0.0000000 0.0349425 0.0000000 3.7980251 0.0000000 -0.0294424 0.0000000 3.4742952 ---------------------------------------------------------------------------- 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: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1849), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 397), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.232 Solver_block: 200 / 640 - Time: 2.190 Solver_block: 300 / 640 - Time: 2.185 Solver_block: 400 / 640 - Time: 2.184 Solver_block: 500 / 640 - Time: 2.187 Solver_block: 600 / 640 - Time: 2.187 Solver_block: 640 / 640 - Time: 0.936 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.151 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 8772/8772 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1849), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 397), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:14:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:14:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.942599675262348 -4.526950910000000 0.000000000000000 b 4.942599675262348 4.526950910000000 0.000000000000000 c -1.599328613187244 0.000000000000000 5.125249978606315 Atomic positions (fractional): 1 O 0.65555225369785 0.64309709020163 0.47894389139458 15.999 2 O 0.35690290979837 0.34444774630215 0.02105610860542 15.999 3 O 0.34444774630215 0.35690290979837 0.52105610860542 15.999 4 O 0.64309709020163 0.65555225369785 0.97894389139458 15.999 5 O 0.89027928676233 0.39116799151244 0.19460255146862 15.999 6 O 0.60883200848756 0.10972071323767 0.30539744853138 15.999 7 O 0.10972071323767 0.60883200848756 0.80539744853138 15.999 8 O 0.39116799151244 0.89027928676233 0.69460255146862 15.999 9 O 0.80350936101444 0.96187621156206 0.85459526758419 15.999 10 O 0.03812378843794 0.19649063898556 0.64540473241581 15.999 11 O 0.19649063898556 0.03812378843794 0.14540473241581 15.999 12 O 0.96187621156206 0.80350936101444 0.35459526758419 15.999 13 Na 0.30118808199529 0.69881191800471 0.25000000000000 22.990 14 Na 0.69881191800471 0.30118808199529 0.75000000000000 22.990 15 Si 0.79703424065183 0.62192673686394 0.25642782449628 28.085 16 Si 0.62192673686394 0.79703424065183 0.75642782449628 28.085 17 Si 0.37807326313606 0.20296575934817 0.24357217550372 28.085 18 Si 0.20296575934817 0.37807326313606 0.74357217550372 28.085 19 Sc 0.89627630991190 0.10372369008809 0.25000000000000 44.956 20 Sc 0.10372369008810 0.89627630991190 0.75000000000000 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.885199350524696 0.000000000000000 0.000000000000000 b 0.000000000000000 9.053901820000000 0.000000000000000 c -3.198657226374488 0.000000000000000 10.250499957212631 Atomic positions (fractional): 1 O 0.14932467194974 0.49377241825189 0.23947194569729 15.999 > 1 2 O 0.14932467194974 0.49377241825189 0.73947194569729 15.999 > 1 3 O 0.85067532805026 0.49377241825189 0.01052805430271 15.999 > 3 4 O 0.85067532805026 0.49377241825189 0.51052805430271 15.999 > 3 5 O 0.85067532805026 0.50622758174811 0.26052805430271 15.999 > 5 6 O 0.85067532805026 0.50622758174811 0.76052805430271 15.999 > 5 7 O 0.14932467194974 0.50622758174811 0.48947194569729 15.999 > 7 8 O 0.14932467194974 0.50622758174811 0.98947194569729 15.999 > 7 9 O 0.14072363913738 0.25044435237506 0.09730127573431 15.999 > 9 10 O 0.14072363913738 0.25044435237506 0.59730127573431 15.999 > 9 11 O 0.85927636086262 0.25044435237506 0.15269872426569 15.999 > 11 12 O 0.85927636086262 0.25044435237506 0.65269872426569 15.999 > 11 13 O 0.85927636086262 0.74955564762494 0.40269872426569 15.999 > 13 14 O 0.85927636086262 0.74955564762494 0.90269872426569 15.999 > 13 15 O 0.14072363913738 0.74955564762494 0.34730127573431 15.999 > 15 16 O 0.14072363913738 0.74955564762494 0.84730127573431 15.999 > 15 17 O 0.38269278628825 0.57918342527381 0.42729763379210 15.999 > 17 18 O 0.38269278628825 0.57918342527381 0.92729763379210 15.999 > 17 19 O 0.61730721371175 0.57918342527381 0.32270236620790 15.999 > 19 20 O 0.61730721371175 0.57918342527381 0.82270236620790 15.999 > 19 21 O 0.61730721371175 0.42081657472619 0.07270236620790 15.999 > 21 22 O 0.61730721371175 0.42081657472619 0.57270236620790 15.999 > 21 23 O 0.38269278628825 0.42081657472619 0.17729763379210 15.999 > 23 24 O 0.38269278628825 0.42081657472619 0.67729763379210 15.999 > 23 25 O 0.64932467194974 0.99377241825189 0.23947194569729 15.999 > 1 26 O 0.64932467194974 0.99377241825189 0.73947194569729 15.999 > 1 27 O 0.35067532805026 0.99377241825189 0.01052805430271 15.999 > 3 28 O 0.35067532805026 0.99377241825189 0.51052805430271 15.999 > 3 29 O 0.35067532805026 0.00622758174811 0.26052805430271 15.999 > 5 30 O 0.35067532805026 0.00622758174811 0.76052805430271 15.999 > 5 31 O 0.64932467194974 0.00622758174811 0.48947194569729 15.999 > 7 32 O 0.64932467194974 0.00622758174811 0.98947194569729 15.999 > 7 33 O 0.64072363913738 0.75044435237506 0.09730127573431 15.999 > 9 34 O 0.64072363913738 0.75044435237506 0.59730127573431 15.999 > 9 35 O 0.35927636086262 0.75044435237506 0.15269872426569 15.999 > 11 36 O 0.35927636086262 0.75044435237506 0.65269872426569 15.999 > 11 37 O 0.35927636086262 0.24955564762495 0.40269872426569 15.999 > 13 38 O 0.35927636086262 0.24955564762495 0.90269872426569 15.999 > 13 39 O 0.64072363913738 0.24955564762495 0.34730127573431 15.999 > 15 40 O 0.64072363913738 0.24955564762495 0.84730127573431 15.999 > 15 41 O 0.88269278628825 0.07918342527381 0.42729763379210 15.999 > 17 42 O 0.88269278628825 0.07918342527381 0.92729763379210 15.999 > 17 43 O 0.11730721371175 0.07918342527381 0.32270236620790 15.999 > 19 44 O 0.11730721371175 0.07918342527381 0.82270236620790 15.999 > 19 45 O 0.11730721371175 0.92081657472619 0.07270236620790 15.999 > 21 46 O 0.11730721371175 0.92081657472619 0.57270236620790 15.999 > 21 47 O 0.88269278628825 0.92081657472619 0.17729763379210 15.999 > 23 48 O 0.88269278628825 0.92081657472619 0.67729763379210 15.999 > 23 49 Na 0.00000000000000 0.69881191800471 0.12500000000000 22.990 > 49 50 Na 0.00000000000000 0.69881191800471 0.62500000000000 22.990 > 49 51 Na 0.00000000000000 0.30118808199529 0.37500000000000 22.990 > 51 52 Na 0.00000000000000 0.30118808199529 0.87500000000000 22.990 > 51 53 Na 0.50000000000000 0.19881191800471 0.12500000000000 22.990 > 49 54 Na 0.50000000000000 0.19881191800471 0.62500000000000 22.990 > 49 55 Na 0.50000000000000 0.80118808199529 0.37500000000000 22.990 > 51 56 Na 0.50000000000000 0.80118808199529 0.87500000000000 22.990 > 51 57 Si 0.20948048875788 0.41244624810605 0.12821391224814 28.085 > 57 58 Si 0.20948048875788 0.41244624810605 0.62821391224814 28.085 > 57 59 Si 0.20948048875788 0.58755375189395 0.37821391224814 28.085 > 59 60 Si 0.20948048875788 0.58755375189395 0.87821391224814 28.085 > 59 61 Si 0.79051951124211 0.41244624810605 0.12178608775186 28.085 > 61 62 Si 0.79051951124211 0.41244624810605 0.62178608775186 28.085 > 61 63 Si 0.79051951124211 0.58755375189395 0.37178608775186 28.085 > 63 64 Si 0.79051951124211 0.58755375189395 0.87178608775186 28.085 > 63 65 Si 0.70948048875789 0.91244624810605 0.12821391224814 28.085 > 57 66 Si 0.70948048875789 0.91244624810605 0.62821391224814 28.085 > 57 67 Si 0.70948048875789 0.08755375189395 0.37821391224814 28.085 > 59 68 Si 0.70948048875789 0.08755375189395 0.87821391224814 28.085 > 59 69 Si 0.29051951124212 0.91244624810605 0.12178608775186 28.085 > 61 70 Si 0.29051951124212 0.91244624810605 0.62178608775186 28.085 > 61 71 Si 0.29051951124212 0.08755375189395 0.37178608775186 28.085 > 63 72 Si 0.29051951124212 0.08755375189395 0.87178608775186 28.085 > 63 73 Sc 0.00000000000000 0.10372369008809 0.12500000000000 44.956 > 73 74 Sc 0.00000000000000 0.10372369008809 0.62500000000000 44.956 > 73 75 Sc 0.00000000000000 0.89627630991190 0.37500000000000 44.956 > 75 76 Sc 0.00000000000000 0.89627630991190 0.87500000000000 44.956 > 75 77 Sc 0.50000000000000 0.60372369008810 0.12500000000000 44.956 > 73 78 Sc 0.50000000000000 0.60372369008810 0.62500000000000 44.956 > 73 79 Sc 0.50000000000000 0.39627630991190 0.37500000000000 44.956 > 75 80 Sc 0.50000000000000 0.39627630991190 0.87500000000000 44.956 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1860187 0.0000000 0.0391293 0.0000000 3.1830617 0.0000000 0.0391294 0.0000000 3.0939165 -------------------------- Born effective charges -------------------------- 1 O -1.5078024 0.2732339 0.2923225 0.2321273 -1.6886270 -0.7375814 0.2268463 -0.7365843 -2.3397225 2 O -1.5078024 -0.2732339 0.2923225 -0.2321273 -1.6886270 0.7375814 0.2268463 0.7365843 -2.3397225 3 O -1.5078024 0.2732339 0.2923225 0.2321273 -1.6886270 -0.7375814 0.2268463 -0.7365843 -2.3397225 4 O -1.5078024 -0.2732339 0.2923225 -0.2321273 -1.6886270 0.7375814 0.2268463 0.7365843 -2.3397225 5 O -2.0510199 -1.0584522 0.0179703 -1.0015823 -2.5629341 -0.0340526 -0.0277529 -0.0811576 -1.3316245 6 O -2.0510199 1.0584522 0.0179703 1.0015823 -2.5629341 0.0340526 -0.0277529 0.0811576 -1.3316245 7 O -2.0510199 -1.0584522 0.0179703 -1.0015823 -2.5629341 -0.0340526 -0.0277529 -0.0811576 -1.3316245 8 O -2.0510199 1.0584522 0.0179703 1.0015823 -2.5629341 0.0340526 -0.0277529 0.0811576 -1.3316245 9 O -2.2950145 0.4512260 -0.3791900 0.3800404 -1.6352305 -0.2966033 -0.3115467 -0.2362413 -2.1349177 10 O -2.2950145 -0.4512260 -0.3791900 -0.3800404 -1.6352305 0.2966033 -0.3115467 0.2362413 -2.1349177 11 O -2.2950145 0.4512260 -0.3791900 0.3800404 -1.6352305 -0.2966033 -0.3115467 -0.2362413 -2.1349177 12 O -2.2950145 -0.4512260 -0.3791900 -0.3800404 -1.6352305 0.2966033 -0.3115467 0.2362413 -2.1349177 13 Na 1.0962724 0.0000000 -0.0168037 0.0000000 1.1230828 0.0000000 0.0090915 0.0000000 1.1275732 14 Na 1.0962724 0.0000000 -0.0168037 0.0000000 1.1230828 0.0000000 0.0090915 0.0000000 1.1275732 15 Si 3.3405908 0.6638337 0.0598278 0.3235876 3.4262376 0.1435288 0.1226287 0.0530609 3.5053305 16 Si 3.3405908 -0.6638337 0.0598278 -0.3235876 3.4262376 -0.1435288 0.1226287 -0.0530609 3.5053305 17 Si 3.3405908 -0.6638337 0.0598278 -0.3235876 3.4262376 -0.1435288 0.1226287 -0.0530609 3.5053305 18 Si 3.3405908 0.6638337 0.0598278 0.3235876 3.4262376 0.1435288 0.1226287 0.0530609 3.5053305 19 Sc 3.9302196 0.0000000 0.0349425 0.0000000 3.7980251 0.0000000 -0.0294424 0.0000000 3.4742952 20 Sc 3.9302196 0.0000000 0.0349425 0.0000000 3.7980251 0.0000000 -0.0294424 0.0000000 3.4742952 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 9, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 57, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000006 (yyy) 0.00000006 (yyy) 0.00000006 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (yx) -0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:14:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:14:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.942599675262348 -4.526950910000000 0.000000000000000 b 4.942599675262348 4.526950910000000 0.000000000000000 c -1.599328613187244 0.000000000000000 5.125249978606315 Atomic positions (fractional): 1 O 0.65555225369785 0.64309709020163 0.47894389139458 15.999 2 O 0.35690290979837 0.34444774630215 0.02105610860542 15.999 3 O 0.34444774630215 0.35690290979837 0.52105610860542 15.999 4 O 0.64309709020163 0.65555225369785 0.97894389139458 15.999 5 O 0.89027928676233 0.39116799151244 0.19460255146862 15.999 6 O 0.60883200848756 0.10972071323767 0.30539744853138 15.999 7 O 0.10972071323767 0.60883200848756 0.80539744853138 15.999 8 O 0.39116799151244 0.89027928676233 0.69460255146862 15.999 9 O 0.80350936101444 0.96187621156206 0.85459526758419 15.999 10 O 0.03812378843794 0.19649063898556 0.64540473241581 15.999 11 O 0.19649063898556 0.03812378843794 0.14540473241581 15.999 12 O 0.96187621156206 0.80350936101444 0.35459526758419 15.999 13 Na 0.30118808199529 0.69881191800471 0.25000000000000 22.990 14 Na 0.69881191800471 0.30118808199529 0.75000000000000 22.990 15 Si 0.79703424065183 0.62192673686394 0.25642782449628 28.085 16 Si 0.62192673686394 0.79703424065183 0.75642782449628 28.085 17 Si 0.37807326313606 0.20296575934817 0.24357217550372 28.085 18 Si 0.20296575934817 0.37807326313606 0.74357217550372 28.085 19 Sc 0.89627630991190 0.10372369008809 0.25000000000000 44.956 20 Sc 0.10372369008810 0.89627630991190 0.75000000000000 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.885199350524696 0.000000000000000 0.000000000000000 b 0.000000000000000 9.053901820000000 0.000000000000000 c -3.198657226374488 0.000000000000000 10.250499957212631 Atomic positions (fractional): 1 O 0.14932467194974 0.49377241825189 0.23947194569729 15.999 > 1 2 O 0.14932467194974 0.49377241825189 0.73947194569729 15.999 > 1 3 O 0.85067532805026 0.49377241825189 0.01052805430271 15.999 > 3 4 O 0.85067532805026 0.49377241825189 0.51052805430271 15.999 > 3 5 O 0.85067532805026 0.50622758174811 0.26052805430271 15.999 > 5 6 O 0.85067532805026 0.50622758174811 0.76052805430271 15.999 > 5 7 O 0.14932467194974 0.50622758174811 0.48947194569729 15.999 > 7 8 O 0.14932467194974 0.50622758174811 0.98947194569729 15.999 > 7 9 O 0.14072363913738 0.25044435237506 0.09730127573431 15.999 > 9 10 O 0.14072363913738 0.25044435237506 0.59730127573431 15.999 > 9 11 O 0.85927636086262 0.25044435237506 0.15269872426569 15.999 > 11 12 O 0.85927636086262 0.25044435237506 0.65269872426569 15.999 > 11 13 O 0.85927636086262 0.74955564762494 0.40269872426569 15.999 > 13 14 O 0.85927636086262 0.74955564762494 0.90269872426569 15.999 > 13 15 O 0.14072363913738 0.74955564762494 0.34730127573431 15.999 > 15 16 O 0.14072363913738 0.74955564762494 0.84730127573431 15.999 > 15 17 O 0.38269278628825 0.57918342527381 0.42729763379210 15.999 > 17 18 O 0.38269278628825 0.57918342527381 0.92729763379210 15.999 > 17 19 O 0.61730721371175 0.57918342527381 0.32270236620790 15.999 > 19 20 O 0.61730721371175 0.57918342527381 0.82270236620790 15.999 > 19 21 O 0.61730721371175 0.42081657472619 0.07270236620790 15.999 > 21 22 O 0.61730721371175 0.42081657472619 0.57270236620790 15.999 > 21 23 O 0.38269278628825 0.42081657472619 0.17729763379210 15.999 > 23 24 O 0.38269278628825 0.42081657472619 0.67729763379210 15.999 > 23 25 O 0.64932467194974 0.99377241825189 0.23947194569729 15.999 > 1 26 O 0.64932467194974 0.99377241825189 0.73947194569729 15.999 > 1 27 O 0.35067532805026 0.99377241825189 0.01052805430271 15.999 > 3 28 O 0.35067532805026 0.99377241825189 0.51052805430271 15.999 > 3 29 O 0.35067532805026 0.00622758174811 0.26052805430271 15.999 > 5 30 O 0.35067532805026 0.00622758174811 0.76052805430271 15.999 > 5 31 O 0.64932467194974 0.00622758174811 0.48947194569729 15.999 > 7 32 O 0.64932467194974 0.00622758174811 0.98947194569729 15.999 > 7 33 O 0.64072363913738 0.75044435237506 0.09730127573431 15.999 > 9 34 O 0.64072363913738 0.75044435237506 0.59730127573431 15.999 > 9 35 O 0.35927636086262 0.75044435237506 0.15269872426569 15.999 > 11 36 O 0.35927636086262 0.75044435237506 0.65269872426569 15.999 > 11 37 O 0.35927636086262 0.24955564762495 0.40269872426569 15.999 > 13 38 O 0.35927636086262 0.24955564762495 0.90269872426569 15.999 > 13 39 O 0.64072363913738 0.24955564762495 0.34730127573431 15.999 > 15 40 O 0.64072363913738 0.24955564762495 0.84730127573431 15.999 > 15 41 O 0.88269278628825 0.07918342527381 0.42729763379210 15.999 > 17 42 O 0.88269278628825 0.07918342527381 0.92729763379210 15.999 > 17 43 O 0.11730721371175 0.07918342527381 0.32270236620790 15.999 > 19 44 O 0.11730721371175 0.07918342527381 0.82270236620790 15.999 > 19 45 O 0.11730721371175 0.92081657472619 0.07270236620790 15.999 > 21 46 O 0.11730721371175 0.92081657472619 0.57270236620790 15.999 > 21 47 O 0.88269278628825 0.92081657472619 0.17729763379210 15.999 > 23 48 O 0.88269278628825 0.92081657472619 0.67729763379210 15.999 > 23 49 Na 0.00000000000000 0.69881191800471 0.12500000000000 22.990 > 49 50 Na 0.00000000000000 0.69881191800471 0.62500000000000 22.990 > 49 51 Na 0.00000000000000 0.30118808199529 0.37500000000000 22.990 > 51 52 Na 0.00000000000000 0.30118808199529 0.87500000000000 22.990 > 51 53 Na 0.50000000000000 0.19881191800471 0.12500000000000 22.990 > 49 54 Na 0.50000000000000 0.19881191800471 0.62500000000000 22.990 > 49 55 Na 0.50000000000000 0.80118808199529 0.37500000000000 22.990 > 51 56 Na 0.50000000000000 0.80118808199529 0.87500000000000 22.990 > 51 57 Si 0.20948048875788 0.41244624810605 0.12821391224814 28.085 > 57 58 Si 0.20948048875788 0.41244624810605 0.62821391224814 28.085 > 57 59 Si 0.20948048875788 0.58755375189395 0.37821391224814 28.085 > 59 60 Si 0.20948048875788 0.58755375189395 0.87821391224814 28.085 > 59 61 Si 0.79051951124211 0.41244624810605 0.12178608775186 28.085 > 61 62 Si 0.79051951124211 0.41244624810605 0.62178608775186 28.085 > 61 63 Si 0.79051951124211 0.58755375189395 0.37178608775186 28.085 > 63 64 Si 0.79051951124211 0.58755375189395 0.87178608775186 28.085 > 63 65 Si 0.70948048875789 0.91244624810605 0.12821391224814 28.085 > 57 66 Si 0.70948048875789 0.91244624810605 0.62821391224814 28.085 > 57 67 Si 0.70948048875789 0.08755375189395 0.37821391224814 28.085 > 59 68 Si 0.70948048875789 0.08755375189395 0.87821391224814 28.085 > 59 69 Si 0.29051951124212 0.91244624810605 0.12178608775186 28.085 > 61 70 Si 0.29051951124212 0.91244624810605 0.62178608775186 28.085 > 61 71 Si 0.29051951124212 0.08755375189395 0.37178608775186 28.085 > 63 72 Si 0.29051951124212 0.08755375189395 0.87178608775186 28.085 > 63 73 Sc 0.00000000000000 0.10372369008809 0.12500000000000 44.956 > 73 74 Sc 0.00000000000000 0.10372369008809 0.62500000000000 44.956 > 73 75 Sc 0.00000000000000 0.89627630991190 0.37500000000000 44.956 > 75 76 Sc 0.00000000000000 0.89627630991190 0.87500000000000 44.956 > 75 77 Sc 0.50000000000000 0.60372369008810 0.12500000000000 44.956 > 73 78 Sc 0.50000000000000 0.60372369008810 0.62500000000000 44.956 > 73 79 Sc 0.50000000000000 0.39627630991190 0.37500000000000 44.956 > 75 80 Sc 0.50000000000000 0.39627630991190 0.87500000000000 44.956 > 75 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1860187 0.0000000 0.0391293 0.0000000 3.1830617 0.0000000 0.0391294 0.0000000 3.0939165 -------------------------- Born effective charges -------------------------- 1 O -1.5078024 0.2732339 0.2923225 0.2321273 -1.6886270 -0.7375814 0.2268463 -0.7365843 -2.3397225 2 O -1.5078024 -0.2732339 0.2923225 -0.2321273 -1.6886270 0.7375814 0.2268463 0.7365843 -2.3397225 3 O -1.5078024 0.2732339 0.2923225 0.2321273 -1.6886270 -0.7375814 0.2268463 -0.7365843 -2.3397225 4 O -1.5078024 -0.2732339 0.2923225 -0.2321273 -1.6886270 0.7375814 0.2268463 0.7365843 -2.3397225 5 O -2.0510199 -1.0584522 0.0179703 -1.0015823 -2.5629341 -0.0340526 -0.0277529 -0.0811576 -1.3316245 6 O -2.0510199 1.0584522 0.0179703 1.0015823 -2.5629341 0.0340526 -0.0277529 0.0811576 -1.3316245 7 O -2.0510199 -1.0584522 0.0179703 -1.0015823 -2.5629341 -0.0340526 -0.0277529 -0.0811576 -1.3316245 8 O -2.0510199 1.0584522 0.0179703 1.0015823 -2.5629341 0.0340526 -0.0277529 0.0811576 -1.3316245 9 O -2.2950145 0.4512260 -0.3791900 0.3800404 -1.6352305 -0.2966033 -0.3115467 -0.2362413 -2.1349177 10 O -2.2950145 -0.4512260 -0.3791900 -0.3800404 -1.6352305 0.2966033 -0.3115467 0.2362413 -2.1349177 11 O -2.2950145 0.4512260 -0.3791900 0.3800404 -1.6352305 -0.2966033 -0.3115467 -0.2362413 -2.1349177 12 O -2.2950145 -0.4512260 -0.3791900 -0.3800404 -1.6352305 0.2966033 -0.3115467 0.2362413 -2.1349177 13 Na 1.0962724 0.0000000 -0.0168037 0.0000000 1.1230828 0.0000000 0.0090915 0.0000000 1.1275732 14 Na 1.0962724 0.0000000 -0.0168037 0.0000000 1.1230828 0.0000000 0.0090915 0.0000000 1.1275732 15 Si 3.3405908 0.6638337 0.0598278 0.3235876 3.4262376 0.1435288 0.1226287 0.0530609 3.5053305 16 Si 3.3405908 -0.6638337 0.0598278 -0.3235876 3.4262376 -0.1435288 0.1226287 -0.0530609 3.5053305 17 Si 3.3405908 -0.6638337 0.0598278 -0.3235876 3.4262376 -0.1435288 0.1226287 -0.0530609 3.5053305 18 Si 3.3405908 0.6638337 0.0598278 0.3235876 3.4262376 0.1435288 0.1226287 0.0530609 3.5053305 19 Sc 3.9302196 0.0000000 0.0349425 0.0000000 3.7980251 0.0000000 -0.0294424 0.0000000 3.4742952 20 Sc 3.9302196 0.0000000 0.0349425 0.0000000 3.7980251 0.0000000 -0.0294424 0.0000000 3.4742952 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (yyy) 0.00000006 (yyy) 0.00000006 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 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: 0.68, Number of G-points: 307, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/186) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 186 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 2.878 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.595 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.218 ( 0.000 0.000 0.000) 0.000 7.748 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 8.385 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.954 ( 0.000 0.000 0.000) 0.000 9.240 ( 0.000 0.000 0.000) 0.000 9.302 ( 0.000 0.000 0.000) 0.000 9.962 ( 0.000 0.000 0.000) 0.000 10.216 ( 0.000 0.000 0.000) 0.000 10.539 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 11.064 ( 0.000 0.000 0.000) 0.000 11.102 ( 0.000 0.000 0.000) 0.000 11.203 ( 0.000 0.000 0.000) 0.000 12.850 ( 0.000 0.000 0.000) 0.000 13.547 ( 0.000 0.000 0.000) 0.000 13.667 ( 0.000 0.000 0.000) 0.000 14.087 ( 0.000 0.000 0.000) 0.000 14.255 ( 0.000 0.000 0.000) 0.000 14.917 ( 0.000 0.000 0.000) 0.000 15.781 ( 0.000 0.000 0.000) 0.000 16.055 ( 0.000 0.000 0.000) 0.000 16.214 ( 0.000 0.000 0.000) 0.000 16.271 ( 0.000 0.000 0.000) 0.000 18.366 ( 0.000 0.000 0.000) 0.000 19.286 ( 0.000 0.000 0.000) 0.000 21.359 ( 0.000 0.000 0.000) 0.000 21.818 ( 0.000 0.000 0.000) 0.000 25.619 ( 0.000 0.000 0.000) 0.000 25.663 ( 0.000 0.000 0.000) 0.000 26.460 ( 0.000 0.000 0.000) 0.000 27.903 ( 0.000 0.000 0.000) 0.000 27.931 ( 0.000 0.000 0.000) 0.000 28.317 ( 0.000 0.000 0.000) 0.000 28.841 ( 0.000 0.000 0.000) 0.000 29.594 ( 0.000 0.000 0.000) 0.000 29.759 ( 0.000 0.000 0.000) 0.000 29.999 ( 0.000 0.000 0.000) 0.000 30.024 ( 0.000 0.000 0.000) 0.000 30.282 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/186) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 28.961 -23.493 21.042) 42.818 0.866 ( 25.775 -30.981 21.024) 45.456 1.505 ( 53.872 -48.665 19.722) 75.229 2.910 ( 3.220 -1.454 1.181) 3.725 3.196 ( 0.979 2.963 -9.708) 10.197 3.506 ( 4.541 1.082 -0.579) 4.704 3.800 ( 1.168 0.799 1.270) 1.901 4.222 ( -3.588 -4.491 -8.084) 9.919 4.806 ( -4.563 3.796 -7.306) 9.413 4.974 ( 5.220 -7.860 0.915) 9.480 5.234 ( 0.242 3.201 -1.646) 3.608 5.759 ( 5.291 -4.568 8.813) 11.248 5.936 ( -14.185 -10.571 -4.671) 18.297 6.150 ( 1.863 8.978 -3.097) 9.678 6.318 ( 3.904 -4.989 -11.675) 13.283 6.539 ( 2.418 -6.249 6.751) 9.511 7.081 ( -0.333 -0.081 3.416) 3.433 7.169 ( -9.743 -1.279 5.937) 11.481 7.647 ( 9.236 15.607 -9.166) 20.320 7.890 ( 0.644 -0.807 -13.415) 13.455 8.094 ( 4.144 -3.185 13.676) 14.641 8.532 ( 7.489 -14.086 -5.292) 16.808 8.820 ( 17.351 19.524 4.573) 26.517 8.972 ( 8.003 11.292 6.917) 15.473 9.175 ( 4.042 7.039 -1.936) 8.345 9.333 ( -0.402 -1.946 -2.046) 2.852 10.011 ( 5.395 -2.828 -3.724) 7.140 10.220 ( 0.971 -0.260 -1.238) 1.595 10.784 ( -10.806 -11.951 -9.978) 18.951 10.834 ( -3.137 5.470 -1.421) 6.464 11.016 ( -2.148 -0.706 -4.932) 5.425 11.123 ( 1.704 -1.569 11.431) 11.663 11.201 ( -2.330 -6.326 3.343) 7.525 11.970 ( 15.710 21.299 -2.181) 26.556 12.882 ( -2.483 -1.085 16.138) 16.364 13.612 ( -2.835 -1.574 -24.591) 24.804 14.034 ( -13.403 0.572 7.651) 15.444 14.061 ( -17.931 -5.911 6.733) 20.045 14.414 ( -13.269 -18.145 12.245) 25.598 14.890 ( -2.972 0.397 -2.258) 3.754 15.919 ( -17.110 -9.041 -3.412) 19.651 16.019 ( -2.978 1.779 0.261) 3.479 16.179 ( 1.519 12.113 0.285) 12.211 16.895 ( -10.471 -22.708 -9.589) 26.782 18.588 ( 15.719 13.985 -13.641) 25.075 19.340 ( 6.527 -0.312 3.856) 7.587 21.391 ( -0.559 -2.743 -1.173) 3.035 21.804 ( -0.979 1.246 0.821) 1.785 25.601 ( -2.809 -0.546 -0.816) 2.976 25.735 ( -3.653 -4.610 0.883) 5.948 27.420 ( 55.159 60.083 48.089) 94.684 27.926 ( 13.648 4.775 -26.000) 29.750 27.936 ( -0.003 -0.745 -0.646) 0.986 28.316 ( -4.413 -3.063 1.536) 5.587 28.840 ( 0.160 -0.225 -1.693) 1.716 29.510 ( -7.667 7.040 -0.771) 10.437 29.949 ( 1.918 -1.204 -1.010) 2.479 30.146 ( 9.509 -1.113 2.956) 10.019 30.303 ( 2.454 -1.923 -0.485) 3.155 33.069 ( -46.547 -44.504 -7.377) 64.820 ======================= Grid point 2 (3/186) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 27.070 -20.442 20.229) 39.495 1.645 ( 22.704 -26.269 16.518) 38.450 2.760 ( 36.613 -32.844 9.587) 50.111 3.014 ( 3.993 -7.371 8.162) 11.700 3.121 ( -2.984 -1.119 -7.959) 8.573 3.558 ( 6.036 0.465 0.929) 6.124 3.808 ( 2.486 2.798 1.427) 4.006 4.191 ( -8.242 -5.139 -9.567) 13.633 4.663 ( -2.278 1.031 -9.347) 9.676 5.177 ( -2.366 1.380 -6.001) 6.597 5.191 ( 5.705 -9.289 2.295) 11.140 5.792 ( -2.020 11.025 11.168) 15.822 5.908 ( -2.323 -2.451 -4.788) 5.859 6.049 ( 8.122 7.977 -6.945) 13.336 6.401 ( -0.691 -5.263 -3.377) 6.291 6.702 ( 4.775 -5.121 4.299) 8.216 7.083 ( 2.147 1.938 6.905) 7.487 7.139 ( -7.812 -9.817 2.946) 12.887 7.610 ( 7.629 2.791 -2.738) 8.572 7.852 ( 8.870 4.939 -15.355) 18.408 8.242 ( 3.853 -3.206 12.800) 13.746 8.704 ( -1.237 -0.558 0.534) 1.459 8.828 ( 1.757 12.352 -2.042) 12.643 8.940 ( 4.500 -13.824 -0.122) 14.539 9.178 ( 4.319 4.742 5.502) 8.451 9.334 ( 3.984 0.789 -6.019) 7.261 10.122 ( 5.644 -4.160 -5.826) 9.116 10.251 ( 3.691 -2.011 -2.552) 4.917 10.706 ( -5.251 4.684 2.151) 7.358 10.777 ( -3.459 -4.577 -4.778) 7.466 10.967 ( -3.682 0.153 -5.191) 6.366 11.213 ( 1.061 -0.329 12.672) 12.721 11.261 ( -2.802 -6.131 1.957) 7.019 11.819 ( 3.049 16.129 -1.385) 16.473 12.949 ( 1.595 -2.890 5.793) 6.667 13.449 ( -6.854 -1.169 -33.261) 33.980 13.802 ( -19.948 4.427 16.056) 25.987 13.985 ( -1.374 5.105 6.385) 8.290 14.587 ( -0.399 -11.309 13.856) 17.890 14.823 ( -4.301 0.301 -3.505) 5.557 15.746 ( -12.794 4.258 -4.136) 14.104 15.962 ( -2.029 1.099 -0.915) 2.482 16.035 ( 1.512 10.723 0.117) 10.830 17.031 ( -7.318 -16.959 -6.399) 19.548 18.527 ( 4.679 7.243 -6.737) 10.942 19.468 ( 8.352 -1.123 4.835) 9.715 21.427 ( 0.843 -2.853 -1.404) 3.290 21.767 ( -1.658 2.156 1.411) 3.064 25.567 ( -2.743 -0.267 -0.255) 2.768 25.754 ( -0.808 -1.117 2.526) 2.877 27.509 ( 29.119 25.212 25.690) 46.298 27.932 ( 9.921 3.424 -17.899) 20.750 27.945 ( -0.116 -0.944 -0.613) 1.132 28.280 ( -12.187 -4.817 2.938) 13.430 28.844 ( 1.094 -0.614 -2.552) 2.843 29.313 ( -8.157 4.637 -1.907) 9.575 30.019 ( 1.752 -5.523 -2.354) 6.254 30.222 ( 7.368 6.426 4.065) 10.588 30.413 ( 3.816 -6.752 -1.022) 7.822 33.065 ( -18.270 -17.266 -2.956) 25.311 ======================= Grid point 3 (4/186) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 18.908 -7.573 14.037) 24.737 2.316 ( 18.463 -24.511 13.582) 33.558 2.927 ( -5.659 -0.419 -10.452) 11.893 3.170 ( -0.785 -4.874 2.158) 5.388 3.464 ( 8.218 -7.969 -0.424) 11.455 3.686 ( 2.997 1.164 0.085) 3.216 3.810 ( 7.626 1.815 5.440) 9.542 4.136 ( -1.729 -8.890 5.801) 10.756 4.691 ( 1.070 -4.776 -11.193) 12.216 5.045 ( -3.625 0.978 -11.731) 12.317 5.391 ( 4.962 -2.317 6.074) 8.178 5.592 ( -3.708 11.192 8.246) 14.388 5.889 ( -1.869 -2.078 -5.653) 6.307 6.062 ( 7.970 4.713 -5.260) 10.649 6.405 ( -1.964 0.131 2.643) 3.296 6.764 ( -0.997 -0.223 2.894) 3.069 7.098 ( -1.498 -0.412 -0.530) 1.641 7.308 ( 3.510 -12.068 1.459) 12.652 7.683 ( -0.633 -4.938 4.038) 6.410 7.913 ( 18.618 3.438 -12.416) 22.641 8.318 ( -0.586 4.314 10.681) 11.534 8.647 ( -7.118 0.763 2.559) 7.602 8.705 ( 1.917 2.947 -1.664) 3.890 9.115 ( -3.075 -3.547 -5.677) 7.366 9.209 ( 11.394 0.101 -1.920) 11.555 9.394 ( 1.371 -2.864 2.688) 4.161 10.214 ( 4.521 -6.163 -7.974) 11.046 10.355 ( 4.918 -4.276 -1.770) 6.753 10.604 ( -5.365 1.908 5.645) 8.018 10.779 ( 2.281 4.383 2.496) 5.535 10.865 ( -7.367 -0.248 -7.923) 10.822 11.204 ( -4.481 2.149 5.274) 7.247 11.353 ( 0.040 -6.144 6.588) 9.008 11.624 ( 0.814 12.838 -2.746) 13.153 13.024 ( 3.174 -1.445 -4.644) 5.808 13.278 ( -7.092 -3.176 -11.023) 13.486 13.574 ( -10.254 6.650 5.390) 13.358 13.935 ( -0.834 3.390 5.288) 6.336 14.720 ( -2.714 0.173 2.403) 3.629 14.856 ( 4.725 -10.432 6.323) 13.081 15.474 ( -11.994 8.449 -5.679) 15.732 15.924 ( -4.038 -0.817 -3.076) 5.141 15.939 ( 4.173 7.436 2.248) 8.818 17.118 ( -3.872 -8.606 -3.252) 9.982 18.466 ( 1.305 3.811 -3.080) 5.071 19.592 ( 5.416 -1.112 3.101) 6.339 21.474 ( 1.168 -2.429 -1.345) 3.012 21.720 ( -1.580 2.118 1.382) 2.982 25.541 ( -1.586 -0.048 0.079) 1.589 25.764 ( -0.289 -0.174 1.748) 1.781 27.654 ( 18.186 10.881 19.356) 28.702 27.944 ( 12.837 4.493 -20.676) 24.748 27.952 ( -0.146 -0.631 -0.307) 0.717 28.158 ( -20.893 -5.924 5.843) 22.489 28.863 ( 1.470 -0.743 -1.781) 2.426 29.181 ( -3.986 2.317 -1.083) 4.735 30.107 ( -0.739 -7.490 -3.546) 8.320 30.221 ( 6.059 7.960 4.284) 10.882 30.529 ( 2.051 -4.392 -0.550) 4.878 33.062 ( -7.098 -6.641 -1.205) 9.795 ======================= Grid point 4 (5/186) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 0.000 -0.000 0.000) 0.000 2.746 ( 0.000 0.000 -0.000) 0.000 2.851 ( 0.000 -0.000 0.000) 0.000 3.120 ( 0.000 -0.000 0.000) 0.000 3.548 ( 0.000 -0.000 0.000) 0.000 3.641 ( 0.000 -0.000 -0.000) 0.000 3.832 ( 0.000 -0.000 0.000) 0.000 4.435 ( 0.000 -0.000 -0.000) 0.000 4.520 ( 0.000 -0.000 0.000) 0.000 5.077 ( 0.000 -0.000 0.000) 0.000 5.347 ( 0.000 -0.000 -0.000) 0.000 5.582 ( 0.000 -0.000 0.000) 0.000 5.880 ( 0.000 -0.000 0.000) 0.000 6.060 ( 0.000 -0.000 0.000) 0.000 6.398 ( 0.000 -0.000 -0.000) 0.000 6.761 ( 0.000 -0.000 0.000) 0.000 7.083 ( 0.000 -0.000 0.000) 0.000 7.424 ( 0.000 -0.000 0.000) 0.000 7.738 ( 0.000 -0.000 -0.000) 0.000 8.016 ( -0.000 -0.000 0.000) 0.000 8.266 ( -0.000 -0.000 0.000) 0.000 8.600 ( 0.000 -0.000 0.000) 0.000 8.704 ( 0.000 -0.000 0.000) 0.000 9.093 ( 0.000 -0.000 -0.000) 0.000 9.315 ( -0.000 -0.000 0.000) 0.000 9.402 ( 0.000 -0.000 -0.000) 0.000 10.342 ( -0.000 0.000 0.000) 0.000 10.381 ( 0.000 -0.000 -0.000) 0.000 10.620 ( 0.000 -0.000 0.000) 0.000 10.662 ( 0.000 0.000 0.000) 0.000 10.827 ( 0.000 -0.000 0.000) 0.000 11.154 ( 0.000 -0.000 0.000) 0.000 11.451 ( 0.000 -0.000 0.000) 0.000 11.497 ( 0.000 0.000 -0.000) 0.000 13.026 ( 0.000 -0.000 0.000) 0.000 13.277 ( 0.000 -0.000 -0.000) 0.000 13.444 ( 0.000 -0.000 0.000) 0.000 13.916 ( 0.000 -0.000 0.000) 0.000 14.694 ( 0.000 -0.000 0.000) 0.000 15.067 ( 0.000 -0.000 0.000) 0.000 15.241 ( 0.000 -0.000 0.000) 0.000 15.890 ( 0.000 -0.000 0.000) 0.000 15.925 ( -0.000 -0.000 0.000) 0.000 17.147 ( 0.000 -0.000 0.000) 0.000 18.440 ( 0.000 -0.000 0.000) 0.000 19.643 ( 0.000 -0.000 0.000) 0.000 21.499 ( 0.000 -0.000 0.000) 0.000 21.695 ( 0.000 -0.000 0.000) 0.000 25.531 ( 0.000 -0.000 0.000) 0.000 25.767 ( 0.000 -0.000 0.000) 0.000 27.759 ( -0.000 -0.000 0.000) 0.000 27.955 ( 0.000 -0.000 -0.000) 0.000 27.984 ( 0.000 -0.000 0.000) 0.000 28.018 ( 0.000 -0.000 0.000) 0.000 28.876 ( 0.000 -0.000 0.000) 0.000 29.138 ( 0.000 -0.000 0.000) 0.000 30.159 ( 0.000 -0.000 -0.000) 0.000 30.203 ( 0.000 -0.000 0.000) 0.000 30.572 ( 0.000 -0.000 0.000) 0.000 33.060 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/186) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 34.625 0.000 29.736) 45.641 1.255 ( 42.676 0.000 11.745) 44.262 2.110 ( 66.101 0.000 34.563) 74.592 2.974 ( 6.555 0.000 1.254) 6.674 3.123 ( -5.992 -0.000 -12.887) 14.212 3.594 ( 6.377 0.000 -1.398) 6.529 3.800 ( -1.302 -0.000 2.600) 2.908 4.099 ( -4.815 -0.000 -11.568) 12.530 4.765 ( -1.146 -0.000 -12.346) 12.399 4.996 ( 6.555 0.000 2.664) 7.076 5.227 ( -1.571 -0.000 -3.665) 3.987 5.744 ( 0.192 0.000 -2.294) 2.302 5.938 ( 14.485 0.000 15.629) 21.309 6.225 ( 4.168 0.000 -5.162) 6.635 6.256 ( 0.487 0.000 -7.476) 7.492 6.596 ( 6.154 0.000 2.248) 6.551 7.027 ( -8.568 -0.000 1.927) 8.782 7.114 ( -2.519 -0.000 7.134) 7.565 7.769 ( 0.149 0.000 -11.407) 11.408 7.928 ( 11.096 0.000 -18.306) 21.406 8.175 ( 6.378 0.000 17.238) 18.381 8.417 ( 1.347 0.000 0.572) 1.464 8.893 ( -5.069 -0.000 7.328) 8.911 9.218 ( -2.408 -0.000 -5.173) 5.706 9.292 ( 4.400 0.000 -7.293) 8.518 9.572 ( 12.269 0.000 -10.680) 16.267 10.033 ( 4.406 0.000 0.766) 4.472 10.228 ( 2.302 0.000 -2.594) 3.469 10.502 ( -0.505 -0.000 -3.423) 3.460 10.800 ( -6.911 -0.000 -5.402) 8.771 10.984 ( -1.151 -0.000 0.387) 1.214 11.066 ( -3.001 -0.000 0.759) 3.096 11.222 ( 1.825 0.000 13.605) 13.727 12.368 ( 8.834 0.000 -29.825) 31.106 12.937 ( -13.302 -0.000 49.781) 51.528 13.276 ( -7.824 -0.000 -24.202) 25.435 13.710 ( -7.139 -0.000 13.648) 15.402 14.076 ( -1.197 -0.000 0.955) 1.531 14.265 ( 0.315 0.000 5.684) 5.692 14.832 ( -4.624 -0.000 -3.030) 5.528 15.841 ( 2.615 0.000 2.012) 3.299 15.965 ( -6.992 -0.000 0.686) 7.025 16.381 ( -21.132 -0.000 -11.986) 24.295 16.392 ( 7.970 0.000 3.412) 8.669 18.790 ( 7.393 0.000 -14.974) 16.700 19.464 ( 8.546 0.000 6.323) 10.631 21.375 ( 1.402 0.000 -0.243) 1.423 21.799 ( -1.830 -0.000 1.330) 2.263 25.559 ( -2.366 -0.000 0.582) 2.436 25.728 ( 1.180 0.000 4.470) 4.623 27.842 ( -5.338 -0.000 10.246) 11.553 27.922 ( -1.387 -0.000 2.029) 2.458 28.162 ( -10.970 -0.000 4.966) 12.042 28.582 ( 13.276 0.000 -18.991) 23.171 28.798 ( -2.671 -0.000 -1.603) 3.115 29.680 ( -1.955 -0.000 -8.307) 8.534 29.835 ( -10.180 -0.000 -2.120) 10.399 30.031 ( 0.465 0.000 0.981) 1.085 30.423 ( 7.856 0.000 3.462) 8.585 32.418 ( 11.524 0.000 11.166) 16.046 ======================= Grid point 11 (7/186) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 26.423 -10.588 22.593) 36.342 1.854 ( 35.760 -7.631 11.884) 38.448 2.888 ( 2.344 -3.302 5.091) 6.505 3.075 ( 5.799 -0.992 2.731) 6.486 3.183 ( 38.056 -6.281 6.377) 39.095 3.675 ( 10.544 0.991 5.168) 11.784 3.818 ( -0.938 -3.546 0.764) 3.747 4.021 ( -3.993 -2.019 -9.713) 10.694 4.685 ( 4.197 5.830 -7.911) 10.686 5.105 ( 0.283 -2.864 -6.219) 6.852 5.217 ( 4.786 -1.917 2.359) 5.670 5.768 ( -1.585 -4.193 -3.341) 5.590 6.026 ( 0.266 10.992 7.511) 13.316 6.216 ( 2.947 3.070 -6.839) 8.055 6.351 ( 11.675 -1.538 1.826) 11.917 6.665 ( -2.351 -4.150 -1.296) 4.943 6.974 ( -3.265 -5.658 0.566) 6.556 7.149 ( 3.398 -0.568 8.716) 9.372 7.704 ( 1.752 4.345 -6.488) 8.002 7.981 ( 14.328 1.466 -18.519) 23.460 8.337 ( 5.902 -0.749 13.738) 14.971 8.517 ( -4.784 -10.717 -0.644) 11.754 8.857 ( -1.253 0.112 6.710) 6.827 9.115 ( 1.722 9.377 -6.423) 11.495 9.306 ( -0.640 1.552 -3.165) 3.583 9.512 ( 16.906 16.257 -2.633) 23.601 10.131 ( 3.596 -2.860 -3.778) 5.949 10.294 ( 6.964 -2.306 -3.031) 7.938 10.565 ( -1.928 -8.332 -6.022) 10.460 10.665 ( -8.268 1.021 -0.979) 8.388 10.954 ( -1.089 1.889 1.482) 2.637 11.100 ( -4.273 -7.964 0.272) 9.042 11.293 ( 1.527 0.870 14.360) 14.467 12.160 ( 3.262 22.016 -6.647) 23.228 12.969 ( -0.100 -0.845 13.622) 13.649 13.142 ( -12.835 -6.987 -22.844) 27.118 13.662 ( -12.024 -0.823 9.439) 15.309 14.040 ( -1.366 2.834 1.319) 3.411 14.425 ( 0.693 -15.692 8.883) 18.045 14.758 ( -4.229 0.453 -2.708) 5.042 15.740 ( -6.210 11.604 -0.269) 13.164 15.884 ( -8.605 -0.624 -3.552) 9.330 16.073 ( -10.961 -0.739 -3.761) 11.612 16.654 ( 1.826 -16.918 0.957) 17.044 18.763 ( 9.211 10.701 -7.101) 15.804 19.585 ( 6.870 0.409 5.438) 8.772 21.409 ( 2.057 -1.685 -0.765) 2.767 21.770 ( -2.503 1.078 2.035) 3.402 25.539 ( -1.596 -0.066 1.529) 2.211 25.756 ( -0.126 -0.278 4.334) 4.345 27.785 ( -4.055 -0.191 -7.760) 8.757 27.917 ( -2.842 -0.885 5.119) 5.921 28.052 ( -12.021 -0.640 12.878) 17.628 28.448 ( 15.308 24.461 -9.466) 30.369 28.818 ( 0.539 -3.416 -3.463) 4.894 29.364 ( -2.486 14.646 -2.538) 15.070 29.925 ( -1.926 -9.433 -5.595) 11.136 30.163 ( -5.111 -16.735 -0.817) 17.517 30.485 ( 8.796 7.020 3.270) 11.719 32.738 ( 7.543 -13.437 4.650) 16.096 ======================= Grid point 12 (8/186) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 4.527 -7.201 6.601) 10.767 2.448 ( 28.519 -11.739 11.589) 32.946 2.883 ( 3.622 -1.472 -1.453) 4.171 3.166 ( 3.781 -0.338 4.801) 6.120 3.528 ( 9.712 0.465 -2.497) 10.039 3.798 ( 1.322 11.344 -4.870) 12.416 3.849 ( -1.258 -2.163 -1.327) 2.832 4.126 ( 15.397 -9.741 14.059) 23.013 4.706 ( 7.921 3.846 -3.265) 9.391 5.058 ( 5.790 3.144 -5.695) 8.708 5.394 ( 5.196 -8.020 3.320) 10.116 5.778 ( -5.762 17.965 5.542) 19.663 5.796 ( -1.375 -3.432 -5.513) 6.638 6.169 ( -0.144 3.674 -4.171) 5.561 6.463 ( 7.350 4.632 0.507) 8.702 6.652 ( -7.504 -5.566 -2.109) 9.578 7.050 ( 1.180 -4.468 -2.088) 5.071 7.321 ( 11.146 -5.269 7.276) 14.316 7.665 ( 0.124 1.427 0.952) 1.719 8.095 ( 14.573 0.969 -16.379) 21.945 8.413 ( -4.092 4.140 4.689) 7.475 8.525 ( -1.768 -4.799 8.333) 9.777 8.894 ( 3.308 6.601 -7.174) 10.295 8.991 ( 1.028 1.401 -2.393) 2.958 9.277 ( -2.549 -0.588 8.394) 8.792 9.558 ( 16.644 8.635 -7.758) 20.292 10.171 ( 1.223 -2.767 -5.380) 6.172 10.384 ( 5.141 -1.274 -3.915) 6.587 10.563 ( -4.831 -2.305 -0.310) 5.362 10.659 ( 0.606 -5.488 -1.988) 5.869 10.916 ( -0.860 3.417 3.331) 4.849 11.126 ( -6.201 -4.014 2.645) 7.846 11.355 ( 1.174 0.078 12.242) 12.298 11.861 ( -0.444 20.058 -3.201) 20.317 12.966 ( -8.557 -3.519 -5.458) 10.742 13.107 ( 2.746 -7.817 -3.626) 9.044 13.529 ( -8.620 2.706 0.609) 9.055 13.981 ( -1.728 3.477 1.968) 4.353 14.705 ( -1.002 0.592 -0.942) 1.497 14.724 ( 2.029 -18.961 7.437) 20.468 15.459 ( -9.631 10.719 -4.074) 14.975 15.757 ( -11.772 -3.858 -4.136) 13.060 16.005 ( -4.024 -0.733 0.168) 4.094 16.885 ( 0.703 -13.189 1.617) 13.307 18.701 ( 10.931 13.650 -1.584) 17.559 19.656 ( 2.709 0.909 2.870) 4.050 21.461 ( 2.535 -1.993 -1.229) 3.451 21.726 ( -2.697 1.560 2.399) 3.932 25.533 ( -0.394 0.092 1.825) 1.869 25.766 ( -0.797 -0.034 3.014) 3.118 27.668 ( -13.096 -4.133 -17.487) 22.234 27.910 ( -5.352 -0.761 11.574) 12.774 27.976 ( -6.130 0.741 10.285) 11.997 28.338 ( 17.668 16.344 -5.672) 24.728 28.856 ( 1.383 -1.506 -2.069) 2.909 29.211 ( 0.364 5.932 -1.136) 6.050 29.994 ( -0.978 -6.521 -5.269) 8.441 30.289 ( -6.919 -11.873 -0.139) 13.743 30.497 ( 7.114 6.630 1.831) 9.895 32.973 ( 7.468 -5.647 2.540) 9.701 ======================= Grid point 13 (9/186) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -13.626 -1.209 -7.199) 15.458 2.895 ( 15.076 -0.175 8.212) 17.168 3.046 ( 13.978 9.408 -3.279) 17.165 3.105 ( -2.468 -0.370 4.145) 4.839 3.579 ( 0.753 4.012 -2.592) 4.836 3.642 ( 1.645 1.504 0.265) 2.245 3.831 ( -1.209 1.678 0.534) 2.137 4.512 ( 11.829 -11.373 13.350) 21.154 4.555 ( 0.154 15.205 -14.040) 20.696 5.191 ( 11.471 3.327 6.665) 13.677 5.437 ( -5.879 16.057 1.339) 17.152 5.537 ( 0.174 -4.759 -0.385) 4.778 5.867 ( 2.395 -4.391 1.883) 5.344 6.073 ( -2.934 5.476 -1.235) 6.334 6.434 ( 1.495 5.192 -3.084) 6.221 6.633 ( -6.217 -7.928 -6.759) 12.133 7.101 ( 1.276 -0.914 0.032) 1.569 7.535 ( 12.065 2.569 3.068) 12.712 7.680 ( -3.927 -4.763 8.935) 10.860 8.094 ( -1.481 12.201 -11.866) 17.084 8.234 ( -3.363 2.211 -0.367) 4.042 8.656 ( 5.416 0.477 5.837) 7.977 8.797 ( 7.758 6.005 -7.530) 12.368 9.017 ( -2.486 -5.184 -4.793) 7.485 9.247 ( -11.356 2.202 15.432) 19.286 9.590 ( 14.243 9.119 -10.007) 19.651 10.258 ( 2.070 -10.493 -8.383) 13.589 10.469 ( 2.745 -5.753 -1.992) 6.678 10.503 ( -2.171 7.452 3.350) 8.454 10.687 ( -3.764 2.117 0.437) 4.340 10.905 ( 4.821 -0.309 2.749) 5.558 11.116 ( -2.811 -2.645 5.763) 6.936 11.409 ( -0.755 -1.585 6.651) 6.878 11.608 ( 0.087 12.153 -5.212) 13.223 12.956 ( -4.732 -6.778 6.533) 10.537 13.266 ( 6.689 -6.370 -4.426) 10.243 13.416 ( -2.389 -0.913 -4.728) 5.375 13.921 ( -1.695 2.386 -0.445) 2.960 14.708 ( 2.685 -0.273 -0.838) 2.826 15.017 ( 1.141 -9.103 1.687) 9.328 15.233 ( -4.044 0.067 0.029) 4.045 15.679 ( -10.636 -7.625 -2.811) 13.385 15.970 ( -2.788 -0.469 -0.036) 2.828 17.048 ( -0.026 -8.693 2.776) 9.125 18.660 ( 12.567 13.724 2.323) 18.753 19.641 ( -2.629 2.218 -0.314) 3.454 21.507 ( 2.004 -0.478 -0.715) 2.181 21.689 ( -1.822 0.318 1.679) 2.498 25.543 ( 1.050 0.068 1.667) 1.972 25.765 ( -0.585 -0.056 1.144) 1.286 27.422 ( -24.055 -4.965 -15.301) 28.938 27.903 ( -3.915 -0.300 11.387) 12.045 27.959 ( -0.350 0.134 1.663) 1.705 28.381 ( 17.688 9.141 -1.727) 19.985 28.869 ( -0.513 -0.164 -0.137) 0.556 29.179 ( 3.606 2.189 0.057) 4.219 30.036 ( -2.977 -5.948 -5.324) 8.520 30.301 ( -4.510 -0.155 2.436) 5.129 30.505 ( 1.257 0.806 -0.618) 1.616 33.127 ( 9.260 -0.667 2.303) 9.566 ======================= Grid point 14 (10/186) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -16.682 5.175 -11.549) 20.939 2.551 ( -6.487 35.150 -8.656) 36.777 3.092 ( 8.949 1.738 8.187) 12.253 3.283 ( 4.792 5.673 0.850) 7.475 3.501 ( -4.079 4.548 2.546) 6.619 3.654 ( 0.292 -2.984 0.091) 2.999 3.727 ( -6.993 14.168 -7.740) 17.594 4.313 ( 8.530 10.265 -4.212) 13.995 4.823 ( 2.924 2.038 12.354) 12.857 5.123 ( -1.506 -1.292 5.189) 5.556 5.364 ( 4.837 3.333 -2.230) 6.283 5.526 ( -0.739 1.824 -4.743) 5.135 5.946 ( 1.205 -0.296 4.538) 4.704 5.968 ( -2.488 3.248 2.345) 4.716 6.402 ( 0.013 -1.750 -0.800) 1.924 6.669 ( -2.647 -7.830 -5.884) 10.146 7.071 ( -6.344 0.895 -5.015) 8.136 7.538 ( 3.153 12.976 3.960) 13.929 7.699 ( -10.093 0.123 8.033) 12.900 7.782 ( -0.337 10.813 -3.938) 11.513 8.285 ( 8.202 -1.691 -9.476) 12.646 8.659 ( 1.252 3.674 1.368) 4.115 8.811 ( 4.694 5.771 -3.641) 8.282 9.006 ( -10.992 -4.383 1.702) 11.955 9.159 ( -3.600 -3.074 12.077) 12.972 9.559 ( 7.565 13.499 -8.101) 17.466 10.312 ( -4.009 7.966 3.504) 9.581 10.352 ( -1.277 2.335 -2.156) 3.425 10.599 ( -0.778 -10.838 -0.802) 10.896 10.614 ( 0.362 0.355 -1.513) 1.596 11.019 ( 6.478 0.021 4.892) 8.117 11.170 ( -0.093 -4.089 0.375) 4.107 11.378 ( -2.444 3.027 -7.042) 8.045 11.569 ( 5.268 -1.961 5.740) 8.034 13.003 ( -3.953 -0.904 6.882) 7.987 13.389 ( 5.714 -5.763 7.807) 11.261 13.554 ( 9.595 -11.016 -6.284) 15.903 13.873 ( -1.100 -0.749 -8.290) 8.396 14.753 ( 3.984 1.037 -3.169) 5.196 14.897 ( -4.161 7.682 -2.501) 9.087 15.475 ( 4.456 -18.525 5.374) 19.797 15.689 ( -5.279 -10.154 -0.749) 11.469 15.951 ( -1.782 -1.553 -1.065) 2.593 17.144 ( -1.232 -4.120 3.988) 5.865 18.657 ( 13.225 12.902 4.874) 19.108 19.531 ( -7.017 3.288 -2.912) 8.278 21.507 ( 0.234 2.453 0.855) 2.609 21.697 ( 0.191 -2.410 -0.145) 2.422 25.570 ( 2.187 -0.048 1.398) 2.596 25.767 ( 0.735 -0.107 -0.259) 0.787 27.104 ( -28.795 -6.186 -13.624) 32.450 27.904 ( -2.478 -0.264 7.315) 7.728 27.962 ( 0.331 0.197 0.041) 0.388 28.475 ( 14.342 7.632 -0.891) 16.270 28.852 ( -2.224 0.075 1.453) 2.657 29.244 ( 7.699 -0.853 1.602) 7.910 30.028 ( -7.813 -5.044 -5.220) 10.665 30.237 ( -0.160 4.977 3.212) 5.925 30.476 ( -4.198 0.584 -1.431) 4.473 33.263 ( 11.849 1.174 2.749) 12.220 ======================= Grid point 15 (11/186) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -13.032 18.444 -11.090) 25.159 1.916 ( -4.791 40.429 -7.381) 41.376 2.968 ( -16.596 45.941 6.310) 49.252 3.131 ( 1.193 17.530 -12.140) 21.357 3.205 ( 2.322 2.953 2.541) 4.536 3.483 ( -4.270 -0.740 -0.944) 4.436 3.717 ( -1.168 -4.884 -0.398) 5.037 4.422 ( 11.625 4.602 6.668) 14.170 4.713 ( -3.343 2.077 4.534) 6.004 5.193 ( -1.449 4.291 2.647) 5.245 5.287 ( -1.483 7.866 -2.983) 8.543 5.638 ( 6.547 -16.692 -3.805) 18.329 5.937 ( 0.191 -1.647 3.435) 3.814 5.975 ( 2.205 3.980 4.290) 6.254 6.401 ( -8.569 0.290 2.680) 8.983 6.672 ( -2.286 -0.220 -5.282) 5.759 6.954 ( -5.128 -6.182 -6.649) 10.427 7.396 ( 5.308 10.008 -4.121) 12.055 7.549 ( -4.969 9.600 7.355) 13.075 7.766 ( -0.565 -2.857 5.099) 5.872 8.270 ( 1.600 9.500 -8.663) 12.956 8.617 ( -4.201 1.970 0.270) 4.648 8.806 ( 4.670 -2.642 -2.162) 5.785 8.960 ( -7.995 -5.137 5.886) 11.178 9.247 ( 2.747 3.040 5.043) 6.498 9.327 ( -1.002 14.930 -5.851) 16.067 10.183 ( -1.788 7.814 3.449) 8.727 10.263 ( -2.544 4.026 0.468) 4.785 10.673 ( 2.507 -5.390 -1.943) 6.254 10.732 ( -1.080 -10.095 0.792) 10.184 11.066 ( 1.743 3.400 5.393) 6.609 11.192 ( 0.872 0.484 -5.519) 5.608 11.286 ( -1.911 2.031 -5.033) 5.754 11.726 ( 4.634 -5.223 4.691) 8.411 12.953 ( -1.767 2.644 -1.274) 3.426 13.613 ( 3.358 -3.164 26.568) 26.966 13.816 ( 1.353 -9.467 0.495) 9.576 13.900 ( 12.093 -12.101 -24.514) 29.893 14.651 ( -1.142 7.926 -6.932) 10.592 14.872 ( 2.492 -0.675 2.099) 3.327 15.746 ( -5.216 -19.503 0.040) 20.188 15.868 ( 9.818 -9.235 6.489) 14.959 15.965 ( 0.783 -3.258 -3.845) 5.100 17.151 ( -3.954 0.890 3.873) 5.606 18.653 ( 9.457 12.569 5.050) 16.520 19.380 ( -6.846 2.645 -3.118) 7.974 21.469 ( -0.130 3.105 1.060) 3.283 21.742 ( 0.658 -3.006 -0.609) 3.137 25.603 ( 1.806 -0.141 0.866) 2.008 25.797 ( 4.388 -0.028 0.426) 4.408 26.761 ( -30.105 -5.663 -12.806) 33.202 27.904 ( -1.571 -0.119 4.322) 4.600 27.960 ( 0.244 0.618 -0.111) 0.673 28.493 ( 6.764 8.607 -1.002) 10.993 28.837 ( -1.254 -0.510 1.493) 2.016 29.402 ( 10.593 -3.046 2.565) 11.317 29.936 ( -10.909 -2.612 -3.402) 11.722 30.209 ( 4.068 4.692 1.769) 6.457 30.372 ( -7.512 2.172 -1.455) 7.954 33.425 ( 13.436 0.093 3.092) 13.787 ======================= Grid point 16 (12/186) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -0.000 32.024 0.000) 32.024 1.281 ( -0.000 44.196 0.000) 44.196 1.986 ( -0.000 67.592 0.000) 67.592 2.947 ( -0.000 7.761 0.000) 7.761 3.199 ( -0.000 2.227 0.000) 2.227 3.473 ( 0.000 -0.956 -0.000) 0.956 3.757 ( 0.000 -2.838 -0.000) 2.838 4.376 ( -0.000 10.225 0.000) 10.225 4.794 ( 0.000 -6.727 -0.000) 6.727 5.070 ( -0.000 10.323 0.000) 10.323 5.182 ( -0.000 0.668 0.000) 0.668 5.862 ( -0.000 11.675 0.000) 11.675 5.949 ( 0.000 -17.683 -0.000) 17.683 6.037 ( 0.000 -7.720 -0.000) 7.720 6.284 ( -0.000 0.995 0.000) 0.995 6.645 ( -0.000 3.534 0.000) 3.534 7.030 ( 0.000 -6.311 -0.000) 6.311 7.348 ( -0.000 11.290 0.000) 11.290 7.416 ( 0.000 -4.881 -0.000) 4.881 7.860 ( 0.000 -9.421 -0.000) 9.421 8.092 ( -0.000 11.088 0.000) 11.088 8.483 ( -0.000 10.233 0.000) 10.233 8.878 ( -0.000 6.068 0.000) 6.068 8.970 ( -0.000 14.522 0.000) 14.522 9.027 ( 0.000 -9.072 -0.000) 9.072 9.341 ( 0.000 -2.271 -0.000) 2.271 10.058 ( -0.000 7.679 0.000) 7.679 10.222 ( -0.000 0.826 0.000) 0.826 10.772 ( 0.000 -6.181 -0.000) 6.181 10.866 ( 0.000 -8.971 -0.000) 8.971 11.031 ( -0.000 3.410 0.000) 3.410 11.153 ( -0.000 4.110 0.000) 4.110 11.234 ( -0.000 1.790 0.000) 1.790 11.812 ( 0.000 -1.665 -0.000) 1.665 12.899 ( -0.000 2.968 0.000) 2.968 13.686 ( -0.000 1.550 0.000) 1.550 13.933 ( 0.000 -9.762 -0.000) 9.762 14.165 ( 0.000 -10.017 -0.000) 10.017 14.568 ( -0.000 0.051 0.000) 0.051 14.906 ( 0.000 -0.745 -0.000) 0.745 15.963 ( 0.000 -16.271 -0.000) 16.271 15.997 ( 0.000 -3.394 -0.000) 3.394 16.136 ( 0.000 -9.935 -0.000) 9.935 17.075 ( -0.000 4.390 0.000) 4.390 18.550 ( -0.000 12.008 0.000) 12.008 19.300 ( -0.000 1.205 0.000) 1.205 21.433 ( -0.000 2.310 0.000) 2.310 21.783 ( 0.000 -2.366 -0.000) 2.366 25.618 ( 0.000 -0.091 -0.000) 0.091 25.875 ( 0.000 -1.845 -0.000) 1.845 26.479 ( -0.000 1.534 0.000) 1.534 27.903 ( 0.000 -0.002 -0.000) 0.002 27.950 ( -0.000 0.937 0.000) 0.937 28.419 ( -0.000 7.125 0.000) 7.125 28.840 ( 0.000 -0.267 -0.000) 0.267 29.545 ( 0.000 -3.125 -0.000) 3.125 29.871 ( 0.000 -2.821 -0.000) 2.821 30.162 ( -0.000 7.779 0.000) 7.779 30.290 ( 0.000 -0.096 -0.000) 0.096 33.580 ( 0.000 -3.554 -0.000) 3.554 ======================= Grid point 19 (13/186) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 12.537 0.000 12.981) 18.047 2.259 ( 29.593 0.000 6.252) 30.246 2.851 ( 0.008 0.000 4.337) 4.337 3.162 ( 5.538 0.000 2.397) 6.035 3.580 ( 16.638 0.000 -4.467) 17.227 3.746 ( -3.290 -0.000 1.024) 3.446 3.958 ( 0.866 0.000 -6.375) 6.433 4.026 ( 34.936 0.000 22.040) 41.307 4.809 ( 10.524 0.000 -5.543) 11.895 5.068 ( 1.534 0.000 -5.259) 5.478 5.276 ( 5.789 0.000 3.635) 6.836 5.722 ( -0.177 -0.000 -2.915) 2.920 6.120 ( -1.229 -0.000 0.767) 1.449 6.188 ( -2.071 -0.000 -1.955) 2.848 6.515 ( -12.701 -0.000 -3.830) 13.266 6.638 ( 22.135 0.000 5.091) 22.713 6.896 ( -1.294 -0.000 -3.478) 3.711 7.250 ( 7.809 0.000 10.355) 12.970 7.744 ( 4.871 0.000 -9.521) 10.695 8.076 ( 13.095 0.000 -21.613) 25.270 8.393 ( -3.805 -0.000 1.081) 3.956 8.460 ( 6.424 0.000 9.797) 11.715 8.882 ( -1.868 -0.000 11.844) 11.990 9.146 ( -0.846 -0.000 -1.772) 1.964 9.280 ( -0.324 -0.000 -9.708) 9.713 9.878 ( 17.433 0.000 -8.850) 19.551 10.077 ( -3.337 -0.000 3.751) 5.020 10.289 ( 3.701 0.000 -3.548) 5.127 10.511 ( -13.304 -0.000 -1.806) 13.426 10.626 ( 13.574 0.000 -2.955) 13.892 10.967 ( -5.048 -0.000 0.493) 5.072 11.000 ( 1.580 0.000 1.936) 2.499 11.378 ( 1.693 0.000 14.776) 14.873 12.292 ( -3.101 -0.000 -11.134) 11.558 12.842 ( -13.444 -0.000 -11.814) 17.897 13.020 ( -0.101 -0.000 14.063) 14.063 13.554 ( -8.096 -0.000 0.598) 8.118 14.040 ( -2.117 -0.000 0.635) 2.210 14.335 ( 0.719 0.000 3.821) 3.888 14.715 ( -1.389 -0.000 -1.625) 2.138 15.682 ( -20.066 -0.000 -10.578) 22.684 15.751 ( -12.800 -0.000 0.841) 12.827 15.871 ( -2.180 -0.000 1.460) 2.624 16.681 ( 11.048 0.000 5.102) 12.169 18.930 ( 9.582 0.000 -4.272) 10.491 19.676 ( 3.567 0.000 4.237) 5.538 21.427 ( 2.977 0.000 -0.671) 3.052 21.751 ( -3.090 -0.000 2.632) 4.059 25.534 ( -0.551 -0.000 2.635) 2.692 25.765 ( -1.085 -0.000 4.421) 4.552 27.605 ( -12.983 -0.000 -17.123) 21.488 27.902 ( -3.013 -0.000 8.345) 8.872 27.989 ( -5.964 -0.000 11.565) 13.013 28.699 ( -3.746 -0.000 -1.785) 4.150 28.784 ( 10.277 0.000 -6.931) 12.396 29.566 ( -8.669 -0.000 -1.191) 8.750 29.589 ( 0.819 0.000 -9.745) 9.780 30.055 ( 0.619 0.000 0.862) 1.061 30.651 ( 7.313 0.000 2.774) 7.822 32.858 ( 16.214 0.000 5.336) 17.070 ======================= Grid point 20 (14/186) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -8.602 -1.707 -2.064) 9.010 2.658 ( 20.953 -8.849 2.400) 22.871 2.979 ( 11.088 -0.184 11.310) 15.840 3.237 ( 4.051 -1.079 5.071) 6.580 3.650 ( 5.968 3.001 -2.347) 7.080 3.764 ( -0.562 -3.511 -3.617) 5.072 3.939 ( 3.142 4.446 -5.241) 7.557 4.402 ( 17.956 9.198 12.552) 23.761 4.912 ( 10.192 6.727 0.231) 12.214 5.153 ( 11.271 -7.816 -1.879) 13.844 5.402 ( 7.806 -0.693 6.929) 10.461 5.728 ( 0.515 -3.144 -2.749) 4.208 5.964 ( -5.029 16.341 -0.674) 17.110 6.171 ( -0.491 0.396 1.175) 1.333 6.378 ( -12.310 -7.307 -5.136) 15.209 6.736 ( 6.752 11.361 -3.958) 13.796 6.999 ( 6.173 -6.344 -0.138) 8.853 7.438 ( 10.430 -4.143 10.971) 15.695 7.745 ( 6.210 5.334 -4.732) 9.455 8.199 ( 15.665 -2.289 -20.983) 26.285 8.335 ( -7.449 1.321 1.653) 7.743 8.582 ( 6.962 -2.542 4.006) 8.425 8.891 ( -1.803 0.853 9.491) 9.699 9.119 ( 1.462 6.323 -5.231) 8.335 9.222 ( -3.665 -2.013 -2.564) 4.905 9.897 ( 12.101 11.283 -1.046) 16.578 10.135 ( 0.950 -0.157 -3.007) 3.158 10.306 ( -9.871 -3.545 -0.226) 10.491 10.416 ( 0.491 -8.707 -4.335) 9.739 10.761 ( 9.978 3.111 -2.598) 10.770 10.912 ( -3.328 -0.152 1.427) 3.624 11.052 ( 1.391 -2.107 2.204) 3.352 11.445 ( 1.842 2.095 13.636) 13.918 12.062 ( -6.478 15.465 -6.183) 17.871 12.720 ( -10.093 -7.931 -1.259) 12.897 13.097 ( 4.774 -3.015 2.624) 6.226 13.439 ( -8.301 0.767 -4.547) 9.496 13.999 ( -2.207 1.999 0.223) 2.986 14.478 ( -0.974 -17.093 2.916) 17.368 14.720 ( 3.168 -0.148 -0.806) 3.272 15.391 ( -13.809 3.318 -8.204) 16.402 15.582 ( -10.877 1.629 1.925) 11.166 15.875 ( -6.356 -5.205 0.072) 8.216 16.861 ( 8.811 -3.509 4.542) 10.516 18.995 ( 11.429 7.650 -0.310) 13.757 19.699 ( -0.517 1.517 1.847) 2.445 21.474 ( 3.517 -1.088 -1.157) 3.859 21.715 ( -3.378 0.833 3.025) 4.611 25.544 ( 0.419 0.037 2.845) 2.876 25.763 ( -1.615 -0.068 3.159) 3.549 27.352 ( -18.214 -0.816 -14.173) 23.093 27.900 ( -2.200 -0.027 6.880) 7.223 27.969 ( -2.531 0.417 6.406) 6.901 28.608 ( 1.805 5.440 -1.834) 6.018 28.875 ( 6.081 0.834 -3.402) 7.018 29.328 ( 0.402 9.776 -1.413) 9.886 29.761 ( -4.976 -16.214 -7.537) 18.560 30.094 ( -0.972 -4.672 0.890) 4.854 30.700 ( 6.020 6.121 2.178) 8.857 33.083 ( 13.400 -1.494 3.447) 13.917 ======================= Grid point 21 (15/186) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -13.403 -0.091 -6.459) 14.878 3.001 ( 5.597 -11.841 -1.627) 13.197 3.132 ( 11.002 2.448 6.857) 13.193 3.296 ( 3.091 5.664 5.188) 8.280 3.669 ( 2.742 7.490 -3.695) 8.790 3.741 ( 2.963 1.190 3.198) 4.519 3.877 ( 3.288 6.881 -4.081) 8.650 4.532 ( 7.642 -5.227 6.524) 11.327 4.822 ( 7.828 18.052 -6.075) 20.592 5.423 ( 3.890 9.019 7.010) 12.067 5.460 ( 4.168 -6.962 1.094) 8.188 5.643 ( -3.028 16.170 1.133) 16.490 5.831 ( 3.774 -6.829 0.410) 7.813 6.143 ( 0.196 5.209 4.562) 6.927 6.374 ( -4.825 -11.271 -4.946) 13.220 6.585 ( 1.909 13.288 -8.109) 15.683 7.070 ( -1.721 -0.115 -3.161) 3.601 7.618 ( -1.979 -2.180 8.923) 9.396 7.775 ( 12.944 3.991 1.447) 13.622 8.146 ( -6.131 9.573 -0.699) 11.390 8.330 ( 13.037 3.671 -10.423) 17.090 8.750 ( 8.079 -3.996 2.572) 9.373 8.892 ( -2.349 -1.616 0.507) 2.897 8.964 ( 0.362 10.034 -8.202) 12.965 9.198 ( -7.266 1.037 7.559) 10.536 9.876 ( 8.150 12.614 -2.678) 15.255 10.083 ( -4.233 -8.056 -2.670) 9.484 10.363 ( 2.237 -7.009 -2.237) 7.690 10.540 ( 0.445 -8.928 -4.238) 9.893 10.751 ( 1.173 8.847 0.283) 8.929 10.873 ( -4.547 -1.936 0.926) 5.027 11.123 ( 3.652 -1.421 4.410) 5.900 11.468 ( 1.247 4.601 10.561) 11.587 11.751 ( -3.246 13.251 -5.809) 14.828 12.807 ( -1.969 -11.724 10.679) 15.980 13.238 ( 4.785 -5.865 -4.589) 8.852 13.316 ( -4.768 -2.990 -8.111) 9.872 13.934 ( -2.203 3.229 -0.662) 3.964 14.709 ( 0.300 -10.762 1.072) 10.819 14.833 ( 3.320 -13.096 0.773) 13.533 15.175 ( -6.862 6.170 -4.975) 10.483 15.477 ( -8.579 -4.622 2.187) 9.987 15.858 ( -6.445 -4.923 -1.229) 8.203 17.018 ( 5.475 -3.548 3.814) 7.557 19.024 ( 13.347 11.339 2.971) 17.763 19.631 ( -4.977 3.462 -0.942) 6.135 21.529 ( 3.496 -0.842 -1.470) 3.885 21.672 ( -3.217 0.643 2.815) 4.323 25.566 ( 1.275 -0.157 2.417) 2.737 25.757 ( -1.003 -0.458 1.405) 1.786 27.055 ( -20.056 1.188 -10.679) 22.753 27.901 ( -1.399 -0.041 4.778) 4.978 27.964 ( -0.448 0.108 2.167) 2.215 28.613 ( 6.324 1.153 -0.218) 6.432 28.887 ( 2.103 3.475 -1.193) 4.233 29.271 ( 3.962 3.066 0.423) 5.028 29.838 ( -6.918 -10.172 -6.905) 14.107 30.152 ( -2.697 -6.175 1.046) 6.819 30.664 ( 4.310 9.280 1.370) 10.323 33.256 ( 10.018 -0.676 2.295) 10.299 ======================= Grid point 22 (16/186) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -9.316 2.984 -5.543) 11.243 2.911 ( -4.049 24.555 -2.181) 24.982 3.207 ( 4.963 -0.158 0.826) 5.033 3.356 ( 4.736 -3.277 1.873) 6.056 3.558 ( 0.019 7.172 0.652) 7.201 3.729 ( 1.546 11.476 0.251) 11.583 3.830 ( 0.195 4.173 0.151) 4.181 4.629 ( 10.923 19.318 -4.784) 22.702 4.808 ( 4.382 -15.551 4.920) 16.889 5.120 ( -10.619 15.341 0.294) 18.660 5.504 ( 0.974 8.894 1.132) 9.018 5.582 ( 3.371 3.102 0.696) 4.634 5.905 ( -2.523 -1.683 0.601) 3.092 6.159 ( 8.843 1.922 5.441) 10.559 6.404 ( -0.259 7.822 -2.863) 8.334 6.511 ( 3.661 -7.912 -0.221) 8.721 6.919 ( -15.223 2.461 -8.586) 17.650 7.557 ( -5.686 3.621 3.825) 7.751 7.843 ( 3.294 5.089 0.459) 6.079 7.968 ( 4.342 14.616 3.417) 15.625 8.411 ( 14.703 3.410 -8.365) 17.256 8.754 ( -5.551 7.079 -1.673) 9.150 8.846 ( -6.075 0.167 7.492) 9.647 8.909 ( 2.987 3.347 -5.901) 7.413 9.112 ( -3.070 -1.569 5.637) 6.608 9.800 ( 5.193 10.179 -2.395) 11.676 10.189 ( -1.657 -10.844 -3.689) 11.573 10.436 ( 0.542 2.838 -1.751) 3.378 10.583 ( 0.975 8.361 0.555) 8.436 10.595 ( -3.046 -1.374 2.010) 3.900 10.958 ( -0.155 -13.668 -1.327) 13.733 11.173 ( 0.675 1.341 4.347) 4.599 11.394 ( -1.394 7.032 -1.791) 7.389 11.664 ( 4.543 1.767 2.632) 5.539 12.967 ( -1.311 -3.178 9.506) 10.108 13.291 ( 0.108 -14.153 -5.027) 15.020 13.473 ( 5.809 -12.022 -2.960) 13.676 13.851 ( -1.750 3.879 -3.240) 5.349 14.813 ( 4.295 -1.583 -0.462) 4.600 14.960 ( -2.438 9.117 -1.641) 9.579 15.121 ( -5.698 -22.266 0.470) 22.988 15.548 ( -0.077 -12.130 2.958) 12.486 15.852 ( -3.821 -4.988 -2.199) 6.656 17.120 ( 2.050 -2.174 2.680) 4.013 19.038 ( 12.414 13.271 4.178) 18.646 19.483 ( -7.466 4.453 -2.711) 9.106 21.551 ( 1.396 2.290 -0.250) 2.694 21.659 ( -1.153 -2.392 0.918) 2.809 25.596 ( 1.221 -0.397 1.434) 1.925 25.770 ( 0.837 -1.370 0.387) 1.651 26.752 ( -16.195 3.310 -6.975) 17.941 27.902 ( -0.746 -0.039 2.511) 2.620 27.967 ( 0.153 0.018 0.348) 0.380 28.696 ( 8.091 2.023 -0.287) 8.345 28.831 ( -2.824 2.969 0.546) 4.134 29.336 ( 6.807 -1.443 1.819) 7.192 29.823 ( -8.363 -5.833 -4.980) 11.348 30.199 ( -2.119 -4.599 0.956) 5.153 30.567 ( 1.734 10.653 0.335) 10.798 33.383 ( 6.505 -1.679 1.503) 6.884 ======================= Grid point 23 (17/186) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -0.000 9.581 0.000) 9.581 2.427 ( -0.000 37.801 0.000) 37.801 3.252 ( -0.000 0.421 0.000) 0.421 3.378 ( -0.000 19.004 0.000) 19.004 3.417 ( 0.000 -1.035 -0.000) 1.035 3.538 ( -0.000 36.070 0.000) 36.070 3.659 ( 0.000 -1.524 -0.000) 1.524 4.596 ( 0.000 -0.690 -0.000) 0.690 4.731 ( -0.000 15.273 0.000) 15.273 5.170 ( 0.000 -15.344 -0.000) 15.344 5.369 ( -0.000 10.216 0.000) 10.216 5.534 ( -0.000 1.623 0.000) 1.623 5.910 ( 0.000 -1.992 -0.000) 1.992 6.221 ( -0.000 14.457 0.000) 14.457 6.299 ( 0.000 -2.203 -0.000) 2.203 6.616 ( 0.000 -2.234 -0.000) 2.234 6.777 ( 0.000 -8.314 -0.000) 8.314 7.470 ( -0.000 4.338 0.000) 4.338 7.788 ( -0.000 17.565 0.000) 17.565 7.790 ( -0.000 4.053 0.000) 4.053 8.437 ( -0.000 11.120 0.000) 11.120 8.619 ( -0.000 0.522 0.000) 0.522 8.794 ( -0.000 0.262 0.000) 0.262 8.876 ( -0.000 0.130 0.000) 0.130 9.193 ( 0.000 -7.097 -0.000) 7.097 9.623 ( -0.000 20.023 0.000) 20.023 10.252 ( -0.000 0.596 0.000) 0.596 10.319 ( -0.000 7.149 0.000) 7.149 10.595 ( 0.000 -5.665 -0.000) 5.665 10.618 ( 0.000 -4.447 -0.000) 4.447 11.117 ( 0.000 -3.945 -0.000) 3.945 11.158 ( 0.000 -0.930 -0.000) 0.930 11.300 ( -0.000 3.892 0.000) 3.892 11.718 ( 0.000 -2.677 -0.000) 2.677 12.967 ( -0.000 1.395 0.000) 1.395 13.556 ( 0.000 -18.480 -0.000) 18.480 13.709 ( 0.000 -16.675 -0.000) 16.675 13.767 ( -0.000 4.318 0.000) 4.318 14.769 ( -0.000 11.579 0.000) 11.579 14.877 ( 0.000 -1.490 -0.000) 1.490 15.399 ( 0.000 -23.199 -0.000) 23.199 15.770 ( 0.000 -15.338 -0.000) 15.338 15.888 ( 0.000 -4.575 -0.000) 4.575 17.147 ( -0.000 0.382 0.000) 0.382 18.943 ( -0.000 15.088 0.000) 15.088 19.362 ( -0.000 3.256 0.000) 3.256 21.515 ( -0.000 3.333 0.000) 3.333 21.699 ( 0.000 -3.413 -0.000) 3.413 25.612 ( 0.000 -0.362 -0.000) 0.362 25.812 ( 0.000 -2.465 -0.000) 2.465 26.557 ( -0.000 4.361 0.000) 4.361 27.903 ( 0.000 -0.015 -0.000) 0.015 27.967 ( -0.000 0.263 0.000) 0.263 28.666 ( -0.000 9.736 0.000) 9.736 28.810 ( 0.000 -2.379 -0.000) 2.379 29.445 ( 0.000 -3.830 -0.000) 3.830 29.799 ( 0.000 -3.098 -0.000) 3.098 30.243 ( 0.000 -3.412 -0.000) 3.412 30.423 ( -0.000 11.021 0.000) 11.021 33.471 ( 0.000 -3.662 -0.000) 3.662 ======================= Grid point 28 (18/186) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -12.339 -0.000 -4.395) 13.098 2.783 ( 9.942 0.000 -2.508) 10.254 3.194 ( 11.721 0.000 12.762) 17.327 3.293 ( 4.508 0.000 5.621) 7.205 3.695 ( -1.345 -0.000 -0.415) 1.407 3.756 ( 6.137 0.000 -5.489) 8.234 3.997 ( 3.827 0.000 -1.608) 4.151 4.712 ( 6.455 0.000 4.934) 8.124 5.122 ( 12.549 0.000 1.494) 12.638 5.133 ( 6.937 0.000 -2.997) 7.557 5.609 ( 11.743 0.000 13.285) 17.731 5.685 ( -0.937 -0.000 -3.062) 3.202 6.069 ( -16.302 -0.000 -7.781) 18.063 6.081 ( -0.653 -0.000 -2.209) 2.304 6.210 ( 3.986 0.000 5.438) 6.742 6.773 ( -5.281 -0.000 -7.102) 8.851 7.132 ( 13.044 0.000 1.031) 13.084 7.551 ( 5.852 0.000 9.935) 11.530 7.867 ( 7.140 0.000 -3.824) 8.099 8.308 ( -1.129 -0.000 2.044) 2.335 8.333 ( 22.459 0.000 -20.157) 30.178 8.631 ( 5.877 0.000 -5.484) 8.038 8.919 ( -7.580 -0.000 20.185) 21.561 9.144 ( 1.849 0.000 -2.678) 3.254 9.157 ( -1.787 -0.000 -9.210) 9.381 10.031 ( -0.059 -0.000 4.982) 4.982 10.092 ( -18.769 -0.000 3.311) 19.059 10.223 ( 10.140 0.000 -3.922) 10.872 10.360 ( 2.215 0.000 -3.988) 4.562 10.789 ( -2.269 -0.000 -4.162) 4.741 10.945 ( 4.233 0.000 -2.923) 5.144 11.080 ( 3.229 0.000 0.701) 3.305 11.552 ( 4.015 0.000 11.563) 12.240 12.036 ( -10.101 -0.000 -6.662) 12.100 12.585 ( -1.879 -0.000 8.160) 8.374 13.142 ( 3.987 0.000 2.454) 4.681 13.300 ( -10.116 -0.000 -8.892) 13.468 13.985 ( -1.957 -0.000 -0.565) 2.037 14.344 ( -0.821 -0.000 1.167) 1.426 14.774 ( 5.966 0.000 -1.260) 6.097 15.238 ( -7.394 -0.000 -5.206) 9.043 15.468 ( -11.185 -0.000 1.421) 11.275 15.755 ( -6.822 -0.000 0.876) 6.878 16.969 ( 7.844 0.000 3.726) 8.684 19.193 ( 11.489 0.000 1.524) 11.590 19.688 ( -3.949 -0.000 0.084) 3.950 21.509 ( 3.910 0.000 -1.462) 4.175 21.688 ( -3.625 -0.000 3.178) 4.821 25.564 ( 0.811 0.000 2.772) 2.889 25.750 ( -1.899 -0.000 2.139) 2.860 27.089 ( -15.354 -0.000 -10.217) 18.443 27.900 ( -1.109 -0.000 3.889) 4.044 27.968 ( -1.577 -0.000 4.512) 4.779 28.602 ( -2.665 -0.000 -1.075) 2.873 28.968 ( 6.843 0.000 -2.804) 7.395 29.395 ( -4.751 -0.000 0.138) 4.753 29.566 ( 2.078 0.000 -6.338) 6.670 30.069 ( 0.138 0.000 0.253) 0.288 30.811 ( 3.767 0.000 1.461) 4.040 33.246 ( 10.829 0.000 2.387) 11.089 ======================= Grid point 29 (19/186) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -8.475 0.302 -3.334) 9.113 2.898 ( 1.846 -7.107 -2.428) 7.734 3.318 ( 7.671 2.932 4.657) 9.441 3.384 ( 2.140 0.833 5.644) 6.093 3.709 ( -0.228 -4.810 0.768) 4.876 3.786 ( 3.192 3.297 -3.669) 5.875 4.010 ( 2.676 4.329 -1.011) 5.188 4.646 ( 1.927 10.000 1.187) 10.253 5.137 ( 9.292 11.606 -0.603) 14.880 5.398 ( 5.681 -12.497 1.461) 13.805 5.594 ( -0.987 9.018 3.970) 9.902 5.725 ( -7.977 4.365 -0.128) 9.094 5.827 ( 2.580 0.984 -2.696) 3.860 6.106 ( -4.204 -3.753 -1.891) 5.945 6.324 ( 8.381 -1.630 7.183) 11.158 6.663 ( -4.446 1.352 -7.346) 8.692 7.159 ( 3.802 12.497 -1.882) 13.197 7.626 ( -0.108 0.765 5.006) 5.065 7.910 ( 2.913 1.036 -1.015) 3.254 8.276 ( 4.016 7.581 4.429) 9.655 8.530 ( 16.995 3.275 -11.426) 20.739 8.731 ( 4.203 -6.441 -7.728) 10.903 8.863 ( -6.988 1.277 12.377) 14.271 9.065 ( -0.061 6.567 -5.003) 8.255 9.170 ( 0.171 0.059 -0.463) 0.497 9.879 ( -14.377 -2.817 3.260) 15.008 10.073 ( 4.062 3.243 4.511) 6.882 10.347 ( 4.985 -6.893 -2.347) 8.825 10.375 ( -0.494 -5.653 -5.911) 8.194 10.763 ( -1.650 0.208 0.328) 1.695 10.895 ( -2.143 6.488 -2.932) 7.435 11.145 ( 2.435 -3.011 0.320) 3.885 11.622 ( 4.723 4.550 9.259) 11.346 11.817 ( -6.906 8.670 -6.221) 12.711 12.729 ( 5.699 -8.518 13.967) 17.324 13.124 ( -10.015 -0.621 -12.606) 16.112 13.228 ( 3.037 -4.956 -0.218) 5.816 13.947 ( -1.259 2.137 -0.551) 2.541 14.448 ( -1.691 -14.887 0.955) 15.013 14.850 ( 5.285 -0.727 -0.915) 5.413 15.183 ( 1.389 0.886 -3.643) 3.998 15.328 ( -10.022 -0.082 2.523) 10.335 15.709 ( -5.206 -4.304 0.004) 6.755 17.067 ( 4.137 -1.197 2.123) 4.801 19.309 ( 11.497 5.357 3.056) 13.047 19.594 ( -7.306 2.734 -1.898) 8.028 21.557 ( 3.728 -0.894 -1.879) 4.269 21.649 ( -3.514 0.775 2.816) 4.570 25.585 ( 0.793 -0.252 1.745) 1.933 25.739 ( -1.066 -0.674 0.786) 1.487 26.872 ( -10.011 3.673 -5.561) 12.026 27.902 ( -0.514 -0.005 1.911) 1.979 27.967 ( -0.491 -0.008 1.782) 1.849 28.603 ( -0.421 -4.141 -0.231) 4.168 28.993 ( 3.469 4.929 -1.249) 6.155 29.335 ( -0.005 1.215 0.555) 1.336 29.624 ( -1.735 -6.815 -3.853) 8.019 30.087 ( -0.169 -2.375 0.220) 2.391 30.813 ( 1.984 5.357 0.759) 5.763 33.360 ( 5.743 -0.151 1.185) 5.866 ======================= Grid point 30 (20/186) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -0.000 1.252 0.000) 1.252 2.996 ( 0.000 -4.752 -0.000) 4.752 3.314 ( -0.000 8.923 0.000) 8.923 3.375 ( 0.000 -0.061 -0.000) 0.061 3.690 ( -0.000 10.971 0.000) 10.971 3.805 ( 0.000 -6.453 -0.000) 6.453 3.916 ( -0.000 11.197 0.000) 11.197 4.647 ( 0.000 -8.518 -0.000) 8.518 4.988 ( -0.000 19.115 0.000) 19.115 5.302 ( -0.000 20.192 0.000) 20.192 5.614 ( 0.000 -4.718 -0.000) 4.718 5.622 ( -0.000 5.910 0.000) 5.910 5.861 ( 0.000 -2.033 -0.000) 2.033 6.125 ( 0.000 -5.996 -0.000) 5.996 6.430 ( 0.000 -0.708 -0.000) 0.708 6.637 ( 0.000 -3.006 -0.000) 3.006 6.895 ( -0.000 22.298 0.000) 22.298 7.588 ( -0.000 3.941 0.000) 3.941 7.902 ( -0.000 2.083 0.000) 2.083 8.199 ( -0.000 11.138 0.000) 11.138 8.629 ( -0.000 4.393 0.000) 4.393 8.653 ( -0.000 2.326 0.000) 2.326 8.907 ( 0.000 -3.965 -0.000) 3.965 8.950 ( -0.000 8.674 0.000) 8.674 9.120 ( -0.000 4.431 0.000) 4.431 9.873 ( 0.000 -3.839 -0.000) 3.839 10.069 ( 0.000 -1.143 -0.000) 1.143 10.469 ( 0.000 -2.379 -0.000) 2.379 10.491 ( 0.000 -9.662 -0.000) 9.662 10.744 ( -0.000 11.402 0.000) 11.402 10.767 ( 0.000 -7.560 -0.000) 7.560 11.192 ( 0.000 -0.980 -0.000) 0.980 11.527 ( -0.000 12.924 0.000) 12.924 11.715 ( -0.000 0.978 0.000) 0.978 12.983 ( -0.000 0.216 0.000) 0.216 13.023 ( 0.000 -16.430 -0.000) 16.430 13.352 ( 0.000 -9.518 -0.000) 9.518 13.894 ( -0.000 4.007 0.000) 4.007 14.679 ( 0.000 -18.680 -0.000) 18.680 14.910 ( 0.000 -4.109 -0.000) 4.109 15.098 ( -0.000 10.803 0.000) 10.803 15.366 ( 0.000 -12.317 -0.000) 12.317 15.745 ( 0.000 -5.520 -0.000) 5.520 17.118 ( 0.000 -1.688 -0.000) 1.688 19.316 ( -0.000 10.692 0.000) 10.692 19.462 ( -0.000 3.374 0.000) 3.374 21.599 ( -0.000 2.420 0.000) 2.420 21.612 ( 0.000 -2.553 -0.000) 2.553 25.600 ( 0.000 -0.464 -0.000) 0.464 25.752 ( 0.000 -1.692 -0.000) 1.692 26.716 ( -0.000 6.439 0.000) 6.439 27.902 ( 0.000 -0.010 -0.000) 0.010 27.968 ( 0.000 -0.091 -0.000) 0.091 28.684 ( 0.000 -6.401 -0.000) 6.401 28.918 ( -0.000 8.055 0.000) 8.055 29.356 ( 0.000 -2.151 -0.000) 2.151 29.677 ( 0.000 -5.483 -0.000) 5.483 30.130 ( 0.000 -3.893 -0.000) 3.893 30.724 ( -0.000 9.329 0.000) 9.329 33.406 ( 0.000 -0.970 -0.000) 0.970 ======================= Grid point 38 (21/186) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 0.000) 0.000 5.646 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 -0.000) 0.000 5.846 ( 0.000 0.000 0.000) 0.000 6.066 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 -0.000) 0.000 6.584 ( 0.000 0.000 0.000) 0.000 7.299 ( -0.000 -0.000 0.000) 0.000 7.651 ( 0.000 0.000 0.000) 0.000 7.925 ( -0.000 -0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 8.674 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 8.838 ( 0.000 0.000 -0.000) 0.000 9.097 ( -0.000 -0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 9.732 ( 0.000 0.000 0.000) 0.000 10.187 ( -0.000 -0.000 -0.000) 0.000 10.233 ( 0.000 0.000 0.000) 0.000 10.339 ( 0.000 0.000 0.000) 0.000 10.791 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 11.130 ( 0.000 0.000 0.000) 0.000 11.728 ( 0.000 0.000 0.000) 0.000 11.793 ( 0.000 0.000 -0.000) 0.000 12.780 ( 0.000 0.000 0.000) 0.000 12.987 ( 0.000 0.000 0.000) 0.000 13.213 ( 0.000 0.000 0.000) 0.000 13.954 ( 0.000 0.000 0.000) 0.000 14.336 ( 0.000 0.000 0.000) 0.000 14.881 ( 0.000 0.000 0.000) 0.000 15.179 ( -0.000 -0.000 0.000) 0.000 15.279 ( 0.000 0.000 -0.000) 0.000 15.639 ( 0.000 0.000 0.000) 0.000 17.090 ( 0.000 0.000 0.000) 0.000 19.474 ( -0.000 -0.000 0.000) 0.000 19.514 ( 0.000 0.000 0.000) 0.000 21.575 ( -0.000 -0.000 0.000) 0.000 21.635 ( 0.000 0.000 0.000) 0.000 25.592 ( 0.000 0.000 0.000) 0.000 25.727 ( 0.000 0.000 0.000) 0.000 26.829 ( 0.000 0.000 0.000) 0.000 27.902 ( 0.000 0.000 0.000) 0.000 27.966 ( 0.000 0.000 0.000) 0.000 28.562 ( 0.000 0.000 0.000) 0.000 29.054 ( 0.000 0.000 0.000) 0.000 29.329 ( 0.000 0.000 0.000) 0.000 29.572 ( 0.000 0.000 0.000) 0.000 30.070 ( 0.000 0.000 0.000) 0.000 30.864 ( 0.000 0.000 0.000) 0.000 33.398 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 67 (22/186) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 7.357 0.000 35.197) 35.958 0.838 ( 24.147 0.000 42.072) 48.510 1.687 ( 8.999 0.000 81.161) 81.658 2.903 ( 0.088 0.000 2.710) 2.711 3.336 ( -17.504 -0.000 9.737) 20.030 3.858 ( 0.632 0.000 6.131) 6.164 3.927 ( -13.153 -0.000 40.477) 42.560 4.328 ( -16.376 -0.000 14.364) 21.783 4.793 ( -12.346 -0.000 -10.056) 15.923 4.909 ( 3.521 0.000 5.663) 6.668 5.210 ( 0.122 0.000 -5.821) 5.822 5.626 ( 10.786 0.000 1.737) 10.925 5.735 ( 2.806 0.000 -1.383) 3.128 6.213 ( -8.454 -0.000 -8.700) 12.131 6.226 ( -3.537 -0.000 0.114) 3.539 6.648 ( 0.072 0.000 12.108) 12.109 7.099 ( 6.673 0.000 -9.579) 11.674 7.332 ( -8.302 -0.000 -0.710) 8.332 7.612 ( 1.149 0.000 -14.208) 14.255 7.908 ( -24.980 -0.000 9.214) 26.625 8.116 ( 8.068 0.000 3.206) 8.682 8.354 ( 2.319 0.000 -1.225) 2.623 8.404 ( 25.504 0.000 -9.268) 27.135 8.942 ( 6.515 0.000 -1.054) 6.600 9.180 ( -4.752 -0.000 -7.029) 8.485 9.381 ( -0.212 -0.000 5.868) 5.872 10.022 ( -0.928 -0.000 3.883) 3.992 10.083 ( 1.296 0.000 -9.037) 9.130 10.564 ( -3.346 -0.000 1.745) 3.774 10.774 ( 1.164 0.000 -10.514) 10.578 10.873 ( 7.948 0.000 -5.937) 9.920 11.136 ( -0.846 -0.000 2.047) 2.215 11.318 ( 0.744 0.000 12.140) 12.163 11.415 ( 8.992 0.000 16.261) 18.581 13.053 ( -2.274 -0.000 -26.603) 26.700 14.012 ( 2.851 0.000 -7.116) 7.666 14.067 ( -1.796 -0.000 14.609) 14.719 14.286 ( 2.292 0.000 5.159) 5.646 14.932 ( -4.135 -0.000 1.124) 4.285 15.838 ( 0.956 0.000 6.270) 6.342 15.843 ( -8.043 -0.000 -17.358) 19.131 16.096 ( 7.968 0.000 -16.716) 18.518 16.266 ( -26.263 -0.000 6.372) 27.025 16.842 ( -23.881 -0.000 13.643) 27.503 18.370 ( -24.274 -0.000 -1.205) 24.304 19.290 ( 2.296 0.000 0.406) 2.332 21.300 ( 2.456 0.000 -6.413) 6.868 21.694 ( 4.434 0.000 -12.172) 12.955 25.659 ( -3.390 -0.000 4.192) 5.391 25.751 ( 3.690 0.000 8.386) 9.161 26.632 ( 46.649 0.000 -2.495) 46.716 27.961 ( -3.678 -0.000 1.973) 4.174 28.308 ( 0.611 0.000 -0.271) 0.668 28.852 ( -1.790 -0.000 0.958) 2.030 29.359 ( -44.403 -0.000 -2.651) 44.482 29.713 ( -6.252 -0.000 -4.471) 7.686 30.001 ( 17.273 0.000 0.457) 17.279 30.083 ( -1.093 -0.000 5.905) 6.005 30.301 ( 3.186 0.000 1.806) 3.662 31.644 ( 32.824 0.000 -1.722) 32.870 ======================= Grid point 68 (23/186) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 20.499 -22.738 26.246) 40.325 1.573 ( 30.340 -20.938 31.885) 48.740 2.363 ( 30.304 -11.344 59.221) 67.484 2.997 ( 4.140 -9.265 9.569) 13.948 3.238 ( -6.839 -1.505 9.867) 12.099 3.855 ( -3.258 3.427 11.683) 12.603 3.943 ( -7.812 -0.690 34.200) 35.088 4.210 ( -15.418 -5.242 10.825) 19.554 4.594 ( -7.790 3.299 -12.689) 15.251 5.027 ( 2.122 -7.307 -0.088) 7.610 5.166 ( 2.016 3.612 0.083) 4.137 5.738 ( -0.804 -5.440 -9.415) 10.903 5.896 ( 11.670 -0.598 3.396) 12.168 6.123 ( -1.976 4.402 -1.782) 5.144 6.194 ( 1.950 -5.640 -1.674) 6.198 6.711 ( -2.570 -4.320 9.077) 10.376 7.121 ( 5.162 -0.700 -11.379) 12.515 7.175 ( -6.425 1.972 2.558) 7.191 7.601 ( 0.745 -2.634 -10.202) 10.563 7.664 ( -4.154 12.874 8.282) 15.862 8.197 ( 9.231 3.127 -4.599) 10.777 8.505 ( 11.150 -8.251 1.247) 13.927 8.695 ( 11.816 -3.208 -10.061) 15.848 9.017 ( 2.743 0.724 1.544) 3.230 9.106 ( -0.247 -0.596 -7.807) 7.833 9.341 ( -0.167 5.070 1.762) 5.370 10.059 ( 1.402 -1.201 3.206) 3.700 10.090 ( 1.586 -0.907 -6.056) 6.326 10.613 ( -4.316 -9.902 -6.029) 12.370 10.751 ( -1.910 -1.531 -5.298) 5.836 10.946 ( 4.677 0.067 -4.615) 6.570 11.163 ( -1.985 -6.291 -3.641) 7.535 11.384 ( 2.068 0.381 10.284) 10.496 11.631 ( 14.760 0.764 6.214) 16.032 12.945 ( -2.267 -3.723 -25.944) 26.308 13.779 ( -14.495 26.672 19.330) 35.988 14.030 ( 2.325 4.643 -0.206) 5.197 14.269 ( -4.972 1.944 4.617) 7.058 14.853 ( -7.178 0.816 -0.329) 7.231 15.188 ( -51.896 -2.119 36.826) 63.670 15.888 ( -8.431 -2.674 -1.510) 8.973 16.003 ( -5.968 4.038 1.310) 7.323 16.073 ( 7.566 9.531 -9.267) 15.296 16.699 ( -9.903 -14.015 -5.115) 17.906 18.367 ( 9.246 1.907 -6.674) 11.561 19.378 ( 9.074 -0.350 0.007) 9.081 21.323 ( 2.278 -1.695 -5.887) 6.537 21.706 ( 3.299 -0.599 -11.194) 11.686 25.639 ( -3.625 -0.405 4.453) 5.757 25.835 ( 1.176 -1.026 9.190) 9.322 27.141 ( 42.636 7.598 -20.128) 47.756 27.877 ( -6.189 3.640 -4.092) 8.264 28.202 ( -2.600 10.182 8.489) 13.509 28.782 ( -14.782 11.119 20.520) 27.626 28.834 ( -1.797 2.539 5.020) 5.905 29.521 ( -9.858 7.908 0.797) 12.664 29.976 ( -1.531 2.269 4.894) 5.607 30.231 ( 8.840 -3.111 5.913) 11.081 30.309 ( 3.549 0.923 1.144) 3.841 32.433 ( 7.394 -42.037 -35.321) 55.402 ======================= Grid point 69 (24/186) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 20.718 -24.138 18.945) 37.024 2.246 ( 12.771 -16.645 30.270) 36.830 2.866 ( 16.859 1.077 6.768) 18.199 3.204 ( -0.954 -3.742 12.622) 13.200 3.478 ( 6.036 -16.253 34.427) 38.546 3.810 ( -1.545 4.587 9.436) 10.604 3.998 ( -5.756 0.046 30.883) 31.415 4.163 ( -9.190 -8.213 10.316) 16.073 4.475 ( 3.034 0.425 -8.700) 9.224 4.989 ( -5.632 2.594 -8.457) 10.486 5.305 ( 6.447 -9.140 7.856) 13.668 5.742 ( -0.594 -2.510 -9.133) 9.491 5.935 ( 0.917 7.170 -3.266) 7.932 5.999 ( 1.171 7.582 5.994) 9.736 6.414 ( 7.023 -7.699 4.493) 11.348 6.752 ( -1.541 -3.416 -0.724) 3.817 7.096 ( -7.796 -1.983 -1.927) 8.272 7.191 ( 3.335 -5.070 -5.203) 7.994 7.527 ( 8.073 4.335 -9.521) 13.215 7.689 ( 3.770 -3.656 8.144) 9.690 8.298 ( 10.316 -3.071 -7.392) 13.057 8.642 ( 9.418 5.544 -7.333) 13.161 8.770 ( -5.455 -2.451 -0.543) 6.005 8.962 ( -1.171 5.855 1.829) 6.244 9.212 ( 4.605 -12.665 -2.756) 13.756 9.295 ( 2.878 4.014 -0.068) 4.940 10.088 ( 1.512 1.309 1.172) 2.318 10.144 ( 6.293 -4.043 -4.869) 8.925 10.649 ( -5.543 -7.996 -7.848) 12.500 10.725 ( -3.297 -1.022 0.561) 3.497 10.947 ( 3.019 5.228 0.852) 6.097 11.204 ( -2.977 -7.309 -8.562) 11.644 11.430 ( 2.030 1.775 7.313) 7.794 11.750 ( 6.987 6.643 7.432) 12.174 12.884 ( -0.971 -3.868 -23.737) 24.070 13.355 ( -12.841 15.164 20.632) 28.645 13.959 ( -1.272 8.742 1.165) 8.911 14.132 ( -16.499 0.047 8.146) 18.400 14.768 ( -5.240 -0.554 -2.020) 5.643 14.971 ( -14.766 -5.977 19.660) 25.304 15.709 ( -12.477 7.553 1.028) 14.621 15.906 ( -4.374 0.341 -5.736) 7.221 16.021 ( 6.050 7.595 1.607) 9.842 16.812 ( -1.353 -15.132 -13.585) 20.380 18.398 ( 7.273 4.770 -4.816) 9.941 19.496 ( 8.612 -0.217 -1.810) 8.803 21.356 ( 2.889 -1.820 -5.935) 6.847 21.701 ( 2.100 0.517 -8.744) 9.008 25.613 ( -3.088 0.543 4.535) 5.513 25.873 ( -0.875 0.951 9.519) 9.606 27.388 ( 25.860 5.961 -21.108) 33.909 27.725 ( -2.062 4.639 -6.944) 8.602 28.139 ( 0.596 4.762 13.969) 14.770 28.616 ( -13.903 2.403 18.434) 23.214 28.845 ( 0.663 -1.195 4.831) 5.021 29.306 ( -8.755 5.192 1.361) 10.269 29.997 ( -0.753 -4.345 0.894) 4.500 30.299 ( 7.589 6.895 2.864) 10.646 30.438 ( 1.172 -8.997 4.455) 10.107 32.741 ( 1.477 -17.776 -25.570) 31.176 ======================= Grid point 70 (25/186) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 3.146 -10.914 12.994) 17.259 2.629 ( 12.165 -17.171 20.472) 29.359 2.892 ( -2.317 7.226 -1.623) 7.760 3.424 ( 7.429 -7.134 22.480) 24.728 3.645 ( -11.597 0.532 23.707) 26.397 3.691 ( -3.265 5.237 3.691) 7.192 3.940 ( -6.795 3.526 12.486) 14.646 4.448 ( -3.891 5.123 -10.944) 12.695 4.455 ( 8.278 -12.604 18.378) 23.773 4.972 ( 7.197 -4.341 8.234) 11.766 5.523 ( 1.977 -7.127 6.462) 9.821 5.651 ( -6.271 8.163 -2.449) 10.581 5.870 ( 1.165 -1.654 6.015) 6.346 5.980 ( 4.937 2.925 -3.233) 6.587 6.513 ( -2.011 -0.149 6.826) 7.118 6.739 ( -6.180 -1.297 -4.933) 8.013 7.054 ( -0.515 -2.829 -2.669) 3.923 7.293 ( 4.601 -5.083 -3.926) 7.900 7.607 ( 10.539 -0.321 -10.735) 15.047 7.878 ( 5.606 -9.234 8.646) 13.836 8.369 ( -0.679 4.845 -7.124) 8.642 8.656 ( 5.651 2.039 -0.688) 6.046 8.726 ( -1.393 -5.904 0.947) 6.139 8.838 ( 0.307 8.092 -9.761) 12.683 9.235 ( 3.466 6.664 0.140) 7.513 9.518 ( 0.407 -18.468 3.067) 18.725 10.102 ( 3.232 0.019 -1.629) 3.619 10.291 ( 6.029 -7.366 -3.793) 10.246 10.610 ( -6.290 -2.000 -7.352) 9.880 10.717 ( -1.681 -2.259 -1.142) 3.038 10.886 ( 2.660 9.712 4.353) 10.971 11.215 ( -2.680 -3.076 -4.874) 6.356 11.443 ( 2.502 2.734 -0.479) 3.737 11.693 ( -2.881 9.787 15.091) 18.216 12.849 ( 4.039 -1.134 -12.338) 13.032 13.243 ( -2.857 -3.569 5.564) 7.202 13.742 ( -13.823 8.833 9.395) 18.904 13.997 ( -6.215 1.884 0.936) 6.562 14.704 ( -3.406 -0.036 -1.862) 3.882 15.056 ( 0.332 -7.655 9.844) 12.474 15.429 ( -11.406 9.793 2.080) 15.177 15.835 ( -4.938 -2.435 -6.269) 8.343 16.015 ( 3.803 5.220 6.777) 9.361 16.938 ( 3.074 -8.849 -14.149) 16.969 18.402 ( 5.832 3.989 -2.367) 7.451 19.570 ( 4.847 0.487 -4.646) 6.732 21.397 ( 3.511 -1.599 -6.648) 7.686 21.678 ( 1.231 1.416 -6.426) 6.695 25.586 ( -1.840 1.181 4.224) 4.756 25.867 ( -2.200 2.066 8.480) 9.001 27.452 ( 3.104 -0.973 -24.323) 24.539 27.694 ( 11.950 4.532 -7.254) 14.696 28.159 ( 1.464 3.484 14.683) 15.162 28.478 ( -14.739 0.166 16.821) 22.365 28.905 ( 0.353 -2.202 7.685) 8.002 29.183 ( -3.977 1.886 1.447) 4.633 30.060 ( -1.643 -6.489 -0.820) 6.744 30.296 ( 5.263 6.990 2.921) 9.224 30.564 ( -1.352 -6.426 4.392) 7.900 32.844 ( 4.231 -6.052 -19.520) 20.870 ======================= Grid point 71 (26/186) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( -19.571 0.419 11.085) 22.496 2.613 ( -6.518 18.365 -4.394) 19.977 3.083 ( 8.910 -6.468 9.111) 14.291 3.464 ( -10.263 7.544 28.549) 31.261 3.601 ( -0.134 -5.354 -0.533) 5.382 3.709 ( -3.789 -0.550 13.336) 13.875 3.954 ( 0.538 -2.428 18.465) 18.632 4.174 ( -10.281 8.829 -4.282) 14.212 4.795 ( 8.447 -10.566 10.763) 17.286 5.181 ( 8.553 -0.772 9.802) 13.032 5.430 ( -10.435 6.578 4.953) 13.292 5.541 ( -3.358 4.274 1.906) 5.760 5.924 ( 2.312 0.411 0.755) 2.466 6.095 ( 2.626 -9.150 5.462) 10.975 6.464 ( -7.455 1.975 6.849) 10.314 6.652 ( -3.925 -3.398 -9.684) 10.988 7.093 ( 1.244 -0.384 0.695) 1.476 7.384 ( 5.212 1.232 -4.949) 7.292 7.654 ( 5.956 4.324 -5.695) 9.306 8.057 ( -3.674 -6.545 0.273) 7.510 8.195 ( -5.664 2.167 -6.444) 8.849 8.629 ( 0.490 8.639 2.298) 8.952 8.696 ( -2.526 -1.836 -1.669) 3.541 8.936 ( 6.749 -8.824 -7.180) 13.228 9.224 ( 7.647 3.832 -2.420) 8.889 9.653 ( -11.385 -6.241 10.613) 16.769 10.185 ( 4.730 -6.775 -10.270) 13.181 10.408 ( 0.579 -0.240 0.974) 1.158 10.561 ( -1.494 -6.886 -8.551) 11.080 10.647 ( -1.120 9.455 0.096) 9.522 10.880 ( 6.949 0.475 3.898) 7.982 11.188 ( -1.076 2.213 1.680) 2.979 11.391 ( 2.051 7.180 -4.740) 8.845 11.611 ( -5.575 0.700 12.104) 13.345 12.964 ( 13.144 -4.029 -5.128) 14.672 13.322 ( -1.652 -5.030 1.347) 5.463 13.549 ( -8.876 -0.994 11.287) 14.394 13.903 ( -3.181 2.807 -2.446) 4.897 14.682 ( -0.557 -0.698 -0.275) 0.934 15.055 ( -8.259 8.232 3.114) 12.070 15.360 ( 6.472 -5.425 8.018) 11.645 15.808 ( -4.409 -6.013 -6.850) 10.125 16.020 ( 1.880 3.553 8.144) 9.082 17.016 ( 6.447 -1.467 -12.920) 14.514 18.429 ( 4.936 0.806 -0.370) 5.015 19.563 ( -0.201 1.510 -6.782) 6.951 21.429 ( 3.442 -0.358 -7.500) 8.259 21.649 ( 1.366 1.376 -5.357) 5.697 25.572 ( 0.030 1.311 3.994) 4.203 25.835 ( -2.582 2.232 6.694) 7.513 27.345 ( -8.629 -3.865 -24.903) 26.637 27.785 ( 12.660 1.932 -9.202) 15.770 28.157 ( -3.260 3.499 11.099) 12.086 28.426 ( -5.662 -2.118 20.188) 21.073 28.959 ( -1.974 -1.805 9.882) 10.237 29.159 ( 0.197 -0.720 2.321) 2.438 30.118 ( -3.495 -7.151 -1.780) 8.156 30.258 ( 1.902 6.962 3.363) 7.962 30.611 ( -3.602 -2.474 3.895) 5.854 32.879 ( 8.484 1.759 -17.751) 19.752 ======================= Grid point 72 (27/186) ======================= q-point: (-0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -21.351 22.852 -7.113) 32.072 2.261 ( -21.849 16.729 17.980) 32.871 3.044 ( -3.498 10.174 -8.700) 13.837 3.345 ( -5.812 13.604 14.078) 20.421 3.594 ( -15.331 -0.375 15.866) 22.066 3.762 ( -5.015 -1.254 9.701) 10.992 3.909 ( -11.065 -4.355 24.650) 27.368 4.226 ( 11.605 -4.942 11.647) 17.169 4.911 ( -2.815 8.043 12.539) 15.160 5.254 ( 2.580 3.351 5.112) 6.634 5.309 ( -7.007 1.116 -0.891) 7.151 5.478 ( 0.810 -6.177 0.181) 6.232 5.945 ( 1.806 1.556 -0.376) 2.414 6.193 ( -10.473 -6.841 7.526) 14.599 6.424 ( 3.799 -0.102 4.716) 6.057 6.664 ( 0.719 -3.399 -6.060) 6.985 7.057 ( -6.825 1.847 -4.318) 8.285 7.269 ( 0.678 15.273 -2.102) 15.432 7.649 ( 1.618 0.125 -0.179) 1.633 7.996 ( -0.754 0.550 -16.474) 16.500 8.109 ( -15.843 -6.461 1.384) 17.166 8.611 ( 9.524 3.520 -0.226) 10.157 8.701 ( -4.207 -4.910 -3.097) 7.169 9.063 ( 1.827 -5.991 -0.728) 6.305 9.220 ( 3.237 10.008 -1.629) 10.644 9.559 ( -13.756 -0.073 10.536) 17.328 10.215 ( -1.020 0.202 -12.706) 12.749 10.370 ( -5.331 0.291 4.353) 6.888 10.548 ( 5.854 3.271 0.844) 6.759 10.695 ( 1.364 -10.934 -7.790) 13.494 10.990 ( 7.118 1.720 1.892) 7.564 11.141 ( -0.828 3.102 2.579) 4.118 11.308 ( 5.868 10.010 -0.448) 11.611 11.607 ( -4.250 -4.435 -0.403) 6.155 13.174 ( 10.750 -0.917 -1.319) 10.869 13.343 ( -0.689 -5.721 7.081) 9.129 13.689 ( 3.463 -13.890 8.803) 16.805 13.834 ( -0.640 1.043 -1.289) 1.777 14.660 ( -2.039 4.700 2.840) 5.858 14.893 ( -1.598 4.201 7.189) 8.479 15.596 ( 11.433 -5.530 5.488) 13.835 15.834 ( -3.353 -9.177 -8.516) 12.961 16.032 ( 0.789 1.685 8.212) 8.420 17.037 ( 8.921 5.726 -11.600) 15.714 18.503 ( 3.310 -3.498 1.100) 4.940 19.478 ( -4.466 2.017 -6.668) 8.275 21.426 ( 2.328 1.909 -7.339) 7.932 21.642 ( 3.093 0.157 -6.643) 7.330 25.585 ( 2.112 1.127 4.414) 5.021 25.798 ( -2.038 2.084 4.895) 5.697 27.156 ( -15.679 -5.644 -26.121) 30.984 27.875 ( 8.440 -0.772 -7.549) 11.350 28.092 ( -5.768 1.796 7.640) 9.740 28.520 ( -0.166 -3.090 20.879) 21.107 28.980 ( -5.117 -1.575 12.243) 13.362 29.227 ( 4.552 -2.946 3.774) 6.606 30.141 ( -7.435 -5.688 -3.277) 9.918 30.191 ( 0.464 5.126 4.567) 6.881 30.570 ( -6.115 1.440 3.213) 7.056 32.868 ( 14.602 10.381 -20.044) 26.884 ======================= Grid point 73 (28/186) ======================= q-point: (-0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -22.118 27.726 -1.125) 35.485 1.741 ( -24.167 25.454 24.181) 42.623 2.578 ( -30.036 30.850 -0.040) 43.057 3.058 ( -5.920 11.339 8.752) 15.499 3.508 ( -12.885 -2.834 21.818) 25.497 3.779 ( -0.903 -2.458 6.321) 6.842 3.945 ( -11.701 -2.054 32.084) 34.213 4.458 ( 5.278 0.963 17.554) 18.355 4.829 ( -2.765 -1.479 9.502) 10.006 5.157 ( -5.294 6.530 0.999) 8.466 5.207 ( -5.679 0.307 -4.849) 7.474 5.634 ( 5.414 -3.343 -3.642) 7.331 5.900 ( 0.969 4.956 -4.856) 7.006 6.193 ( -7.993 -7.370 7.318) 13.105 6.522 ( 5.379 0.829 8.342) 9.960 6.607 ( -10.850 3.328 -5.588) 12.651 6.899 ( 4.390 2.922 -9.933) 11.246 7.145 ( -0.192 3.932 2.650) 4.745 7.687 ( -2.501 -6.273 2.993) 7.387 7.887 ( 0.782 4.584 -20.290) 20.816 8.043 ( -10.381 -7.369 3.335) 13.160 8.653 ( -8.760 -6.706 -7.240) 13.196 8.738 ( 5.885 -2.938 -4.151) 7.778 8.977 ( -3.106 20.846 1.236) 21.112 9.180 ( -0.341 -5.738 6.370) 8.580 9.434 ( -8.409 1.040 1.686) 8.640 10.146 ( -0.135 0.724 -11.440) 11.464 10.279 ( -9.490 1.837 8.393) 12.801 10.662 ( 7.057 -4.806 -2.767) 8.975 10.804 ( 0.849 -6.159 -6.724) 9.158 10.955 ( 2.088 7.642 -7.957) 11.228 11.158 ( 3.077 2.601 11.066) 11.777 11.246 ( 7.621 10.623 -1.341) 13.143 11.565 ( -6.031 0.170 -9.733) 11.451 13.248 ( 3.196 0.453 -2.379) 4.009 13.500 ( 0.001 -11.548 8.747) 14.487 13.850 ( 1.352 -7.392 -6.139) 9.704 14.057 ( 12.743 -9.229 16.861) 23.062 14.617 ( 4.841 2.630 23.810) 24.439 14.925 ( 1.762 -1.124 8.131) 8.395 15.808 ( 12.490 -0.826 0.501) 12.527 15.903 ( -0.870 -9.976 -10.603) 14.584 16.067 ( 1.705 0.012 8.664) 8.830 16.988 ( 8.078 10.567 -10.790) 17.127 18.607 ( -1.074 -8.237 1.431) 8.429 19.365 ( -5.536 1.159 -3.568) 6.687 21.386 ( 1.899 3.219 -6.901) 7.848 21.664 ( 4.728 -0.359 -8.966) 10.143 25.628 ( 3.425 0.930 5.740) 6.749 25.768 ( -0.022 2.682 3.415) 4.342 26.889 ( -23.012 -6.132 -28.470) 37.117 27.973 ( 5.330 -3.011 -1.270) 6.252 28.042 ( -4.148 -1.936 3.264) 5.622 28.647 ( -2.605 -6.470 20.216) 21.385 28.980 ( -8.552 -3.611 15.788) 18.315 29.379 ( 7.903 -4.608 4.953) 10.403 30.056 ( -7.878 0.105 0.396) 7.889 30.179 ( -2.848 -1.335 1.083) 3.326 30.446 ( -8.651 3.894 1.426) 9.594 32.777 ( 23.733 26.016 -29.069) 45.662 ======================= Grid point 74 (29/186) ======================= q-point: (-0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -12.319 24.652 17.877) 32.849 1.174 ( -25.206 30.201 23.788) 45.971 1.722 ( -26.356 34.394 48.871) 65.314 2.939 ( -3.041 3.644 4.000) 6.206 3.474 ( -14.359 -5.506 12.923) 20.087 3.824 ( -0.055 -1.264 4.625) 4.795 3.937 ( -13.591 -0.399 38.806) 41.119 4.460 ( -8.256 3.965 19.149) 21.226 4.872 ( -2.597 -1.804 2.350) 3.940 5.006 ( -8.885 5.078 -0.170) 10.235 5.168 ( -0.187 -6.548 -5.775) 8.733 5.620 ( 6.257 10.028 -4.642) 12.698 5.816 ( 2.749 7.843 -8.961) 12.222 6.223 ( -5.416 -5.491 3.451) 8.449 6.387 ( -11.771 0.410 -7.016) 13.709 6.602 ( 6.745 5.215 11.988) 14.711 6.992 ( 11.216 -3.471 -10.404) 15.687 7.185 ( 2.233 -7.279 7.862) 10.945 7.713 ( 0.321 3.457 -17.428) 17.771 7.850 ( -5.499 -15.916 6.067) 17.898 8.066 ( -2.742 -6.881 0.952) 7.468 8.493 ( -26.660 -6.685 -16.718) 32.171 8.625 ( -1.596 23.907 1.421) 24.002 8.852 ( 7.376 -1.428 -1.458) 7.653 9.248 ( -5.514 -3.694 3.572) 7.538 9.347 ( -0.807 0.628 -1.291) 1.647 10.088 ( -0.448 1.838 -9.610) 9.794 10.164 ( -6.825 4.106 5.775) 9.838 10.771 ( -0.732 10.542 -17.203) 20.189 10.783 ( 3.531 -2.899 -5.887) 7.452 10.831 ( 6.735 8.010 -5.925) 12.026 11.161 ( 3.844 6.193 0.178) 7.291 11.250 ( 4.337 2.522 13.108) 14.035 11.395 ( -9.483 3.195 3.484) 10.596 13.190 ( -0.077 2.172 -23.188) 23.290 13.809 ( -0.578 -21.424 26.328) 33.948 13.955 ( 3.793 -5.210 -6.625) 9.242 14.231 ( 3.758 0.387 1.386) 4.025 14.937 ( 1.509 -2.601 5.741) 6.480 15.204 ( 23.580 -25.586 53.491) 63.812 15.924 ( 11.297 4.991 -5.324) 13.449 16.010 ( 4.531 -9.197 -14.093) 17.428 16.155 ( 11.477 3.495 15.166) 19.337 16.880 ( 1.367 6.120 -7.982) 10.151 18.676 ( -15.487 -13.518 -3.666) 20.881 19.303 ( -3.704 -1.477 0.516) 4.021 21.336 ( 2.162 3.629 -7.629) 8.721 21.690 ( 5.271 0.521 -11.079) 12.280 25.675 ( 0.299 0.153 6.858) 6.867 25.749 ( 4.878 6.668 1.353) 8.372 26.523 ( -22.534 -1.017 -18.417) 29.121 27.988 ( -2.746 0.507 4.605) 5.386 28.177 ( 5.091 -11.072 -1.157) 12.241 28.814 ( -0.326 -8.906 8.009) 11.982 29.078 ( -17.943 -33.151 33.713) 50.571 29.557 ( 6.471 -3.389 4.079) 8.366 29.990 ( -6.958 -4.781 3.030) 8.970 30.108 ( -7.714 4.556 -0.883) 9.002 30.301 ( -4.349 2.014 -1.416) 4.997 32.376 ( 28.823 68.385 -46.392) 87.518 ======================= Grid point 76 (30/186) ======================= q-point: ( 0.12 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 32.461 0.000 22.095) 39.267 1.939 ( 25.045 0.000 32.629) 41.132 3.014 ( 40.037 0.000 51.780) 65.453 3.017 ( 6.418 0.000 3.014) 7.091 3.205 ( -3.595 -0.000 19.396) 19.727 3.885 ( -3.736 -0.000 5.168) 6.377 3.970 ( -6.294 -0.000 38.082) 38.599 4.041 ( -11.591 -0.000 10.790) 15.836 4.537 ( 2.016 0.000 -10.312) 10.507 4.977 ( 0.175 0.000 -5.574) 5.576 5.240 ( 2.754 0.000 7.329) 7.829 5.676 ( 0.667 0.000 -4.297) 4.348 6.072 ( 5.418 0.000 -10.098) 11.460 6.118 ( 2.860 0.000 -6.985) 7.547 6.206 ( 12.484 0.000 10.195) 16.117 6.663 ( -4.685 -0.000 3.967) 6.138 7.061 ( -8.762 -0.000 0.652) 8.786 7.155 ( 3.480 0.000 -7.459) 8.231 7.560 ( 1.310 0.000 -8.105) 8.211 7.761 ( -0.173 -0.000 4.448) 4.452 8.278 ( 5.606 0.000 -9.452) 10.990 8.491 ( 3.798 0.000 8.691) 9.485 8.926 ( 18.292 0.000 -20.406) 27.404 9.029 ( -1.213 -0.000 5.267) 5.405 9.095 ( 5.187 0.000 -11.735) 12.830 9.403 ( 2.881 0.000 -3.574) 4.590 10.082 ( 3.886 0.000 -5.749) 6.939 10.137 ( 7.030 0.000 5.442) 8.891 10.455 ( -4.388 -0.000 -2.201) 4.909 10.675 ( -3.723 -0.000 -6.673) 7.642 10.993 ( 3.184 0.000 1.052) 3.353 11.084 ( -3.812 -0.000 -0.342) 3.827 11.456 ( 2.820 0.000 7.822) 8.315 11.853 ( 15.101 0.000 -0.633) 15.114 12.789 ( -2.491 -0.000 -22.226) 22.366 13.941 ( -9.288 -0.000 2.573) 9.638 13.952 ( -13.459 -0.000 9.105) 16.249 14.362 ( 0.798 0.000 3.276) 3.372 14.408 ( -49.966 -0.000 43.201) 66.053 14.791 ( -5.512 -0.000 -2.097) 5.897 15.931 ( 0.881 0.000 7.239) 7.292 15.938 ( -8.432 -0.000 -2.100) 8.690 16.250 ( -24.813 -0.000 0.000) 24.813 16.285 ( 15.133 0.000 -12.759) 19.794 18.551 ( 14.634 0.000 -7.501) 16.445 19.501 ( 10.051 0.000 -1.878) 10.225 21.327 ( 3.107 0.000 -4.568) 5.525 21.699 ( 3.344 0.000 -11.374) 11.856 25.620 ( -2.464 -0.000 5.247) 5.797 25.886 ( 0.188 0.000 11.472) 11.473 27.443 ( 14.352 0.000 -26.367) 30.020 27.829 ( -0.432 -0.000 -8.747) 8.758 28.256 ( -3.191 -0.000 8.696) 9.263 28.775 ( -3.809 -0.000 -0.896) 3.913 28.829 ( -8.855 -0.000 15.226) 17.614 29.522 ( -3.719 -0.000 -7.695) 8.547 29.981 ( -15.857 -0.000 13.594) 20.887 30.109 ( -1.009 -0.000 6.994) 7.066 30.463 ( 7.617 0.000 0.467) 7.631 32.273 ( 25.677 0.000 -17.731) 31.204 ======================= Grid point 77 (31/186) ======================= q-point: ( 0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 26.901 -8.618 15.108) 32.034 2.339 ( 9.377 -7.051 22.807) 25.648 3.077 ( 6.099 5.090 5.612) 9.726 3.277 ( 4.046 -3.479 27.025) 27.547 3.610 ( 8.618 1.011 31.619) 32.788 3.866 ( -2.350 -1.307 8.613) 9.023 3.956 ( -9.905 0.113 11.274) 15.007 4.166 ( 13.117 -2.791 31.680) 34.402 4.580 ( 12.680 1.461 -1.340) 12.834 4.957 ( 0.275 0.014 -6.249) 6.255 5.326 ( 4.962 -2.342 8.905) 10.460 5.678 ( 0.225 -1.516 -5.025) 5.253 5.992 ( -1.491 5.403 -9.159) 10.738 6.123 ( 3.483 2.615 -2.693) 5.120 6.469 ( 9.815 -0.564 6.791) 11.949 6.636 ( -3.618 -5.878 -1.264) 7.017 6.959 ( -7.259 -2.004 -1.054) 7.604 7.208 ( 8.804 -1.396 -7.765) 11.822 7.569 ( 4.344 -1.831 -9.152) 10.295 7.774 ( 3.949 1.505 5.143) 6.657 8.314 ( 4.700 -2.957 -13.175) 14.297 8.594 ( -3.348 -5.963 4.652) 8.271 8.940 ( 10.444 11.593 -9.531) 18.285 9.032 ( -0.502 5.092 9.652) 10.925 9.137 ( 5.741 -5.219 -12.167) 14.430 9.436 ( 10.347 4.028 -4.997) 12.176 10.131 ( 2.994 -0.424 -1.522) 3.385 10.219 ( 6.767 1.929 0.440) 7.050 10.440 ( -3.158 -4.522 -6.517) 8.538 10.647 ( -3.008 -5.067 -0.331) 5.902 11.019 ( -0.897 0.951 3.837) 4.054 11.059 ( -2.057 -4.105 -3.909) 6.030 11.508 ( 2.709 1.359 4.800) 5.677 11.969 ( 8.456 6.166 2.472) 10.754 12.722 ( -0.878 -5.147 -17.240) 18.014 13.507 ( -17.114 21.082 20.400) 33.963 13.906 ( -22.753 -2.124 13.087) 26.334 14.041 ( -2.787 5.657 -0.002) 6.306 14.599 ( -7.417 -20.612 8.023) 23.329 14.726 ( -5.095 -2.210 -1.264) 5.696 15.726 ( -14.112 9.444 -1.953) 17.093 15.826 ( -6.708 4.569 0.600) 8.139 16.077 ( -7.154 -3.602 4.537) 9.205 16.534 ( 9.435 -13.269 -12.542) 20.552 18.647 ( 13.752 8.111 -3.479) 16.340 19.596 ( 7.279 0.983 -3.760) 8.252 21.358 ( 3.455 -0.894 -4.468) 5.718 21.695 ( 2.335 -0.026 -9.698) 9.976 25.611 ( -1.710 0.537 5.504) 5.789 25.912 ( -2.307 0.977 11.294) 11.569 27.399 ( -4.212 -1.623 -23.306) 23.739 27.817 ( 7.072 2.504 -11.124) 13.417 28.248 ( -1.927 1.750 11.718) 12.004 28.637 ( -6.137 9.481 8.711) 14.263 28.845 ( -0.726 -2.444 7.994) 8.391 29.346 ( -3.206 10.819 -0.214) 11.286 29.902 ( -7.589 -6.561 4.483) 10.988 30.227 ( -5.915 -13.590 6.851) 16.328 30.512 ( 8.279 6.423 -0.587) 10.495 32.594 ( 19.256 -8.920 -16.280) 26.747 ======================= Grid point 78 (32/186) ======================= q-point: ( 0.38 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -6.750 -3.173 12.206) 14.305 2.678 ( 18.635 -14.796 11.710) 26.520 3.074 ( 5.919 10.307 5.573) 13.127 3.559 ( 2.545 -5.500 41.449) 41.890 3.646 ( -0.490 5.056 10.440) 11.610 3.773 ( -3.506 10.892 6.118) 12.975 3.914 ( -7.061 -1.878 16.429) 17.981 4.463 ( 9.028 -5.277 12.673) 16.430 4.583 ( 2.365 14.489 -7.200) 16.351 5.152 ( 18.439 -5.896 17.050) 25.796 5.470 ( 2.753 -4.403 4.191) 6.673 5.666 ( -0.424 3.445 -5.131) 6.195 5.870 ( -3.021 0.720 2.576) 4.035 6.095 ( 3.427 6.408 -2.734) 7.764 6.474 ( -5.683 -3.601 -5.339) 8.589 6.615 ( -7.551 4.135 3.679) 9.362 7.014 ( 4.136 -5.825 -1.580) 7.317 7.351 ( 14.130 -1.572 -4.979) 15.064 7.669 ( 10.506 -3.598 -10.084) 15.000 7.855 ( 1.164 -4.173 4.070) 5.945 8.342 ( -0.864 -1.150 -13.728) 13.803 8.594 ( -4.520 -3.571 1.098) 5.864 8.861 ( 5.825 11.082 -0.100) 12.520 8.943 ( 0.780 6.724 -0.558) 6.792 9.321 ( 5.478 -10.096 -2.888) 11.843 9.465 ( 11.467 9.487 -2.373) 15.071 10.124 ( -1.157 1.112 -0.831) 1.807 10.296 ( 6.125 -2.032 -5.102) 8.227 10.444 ( -3.118 -7.083 -7.793) 10.983 10.697 ( 1.115 -1.525 3.634) 4.096 10.993 ( -2.220 1.953 3.917) 4.908 11.097 ( -0.756 -5.605 -4.282) 7.094 11.520 ( 2.660 3.184 -0.026) 4.149 11.898 ( -1.895 14.226 13.296) 19.564 12.784 ( 4.164 -8.887 -9.440) 13.617 13.232 ( -5.473 5.535 9.483) 12.268 13.641 ( -20.075 3.818 9.058) 22.353 13.979 ( -1.533 2.163 -2.659) 3.755 14.667 ( -0.506 -0.538 -2.242) 2.361 14.875 ( -3.106 -19.766 6.558) 21.056 15.427 ( -12.808 7.539 1.040) 14.898 15.701 ( -7.535 -0.043 -1.289) 7.645 16.059 ( -5.589 -1.833 6.077) 8.458 16.763 ( 7.721 -11.310 -13.557) 19.270 18.673 ( 14.198 11.887 -0.458) 18.523 19.619 ( 2.800 2.284 -5.855) 6.880 21.400 ( 3.766 -1.237 -5.202) 6.540 21.680 ( 1.264 0.587 -7.325) 7.456 25.607 ( -0.581 1.036 5.437) 5.565 25.893 ( -3.896 1.762 9.591) 10.501 27.244 ( -10.513 -3.015 -22.702) 25.200 27.836 ( 6.720 1.514 -10.088) 12.215 28.228 ( -6.696 1.781 12.569) 14.352 28.510 ( 0.637 7.125 11.931) 13.911 28.908 ( 0.081 -1.984 7.888) 8.134 29.220 ( 0.459 5.602 2.250) 6.054 29.938 ( -4.573 -7.193 0.337) 8.530 30.346 ( -8.479 -12.273 5.765) 15.992 30.505 ( 7.314 7.786 -1.323) 10.764 32.839 ( 15.927 -3.623 -14.857) 22.080 ======================= Grid point 79 (33/186) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -16.813 1.593 16.359) 23.513 2.910 ( 3.736 25.063 -1.463) 25.382 3.136 ( 10.967 -14.753 6.550) 19.515 3.504 ( -8.473 7.922 22.894) 25.665 3.644 ( -0.528 6.332 5.815) 8.613 3.757 ( 0.317 4.982 12.638) 13.588 3.957 ( -6.847 -2.364 26.429) 27.404 4.311 ( 5.819 16.173 -5.697) 18.107 4.771 ( 7.459 -13.445 11.537) 19.222 5.400 ( 0.558 6.039 8.543) 10.477 5.441 ( 1.452 10.129 1.949) 10.416 5.562 ( -1.903 1.227 4.330) 4.886 5.979 ( 0.122 -9.342 7.338) 11.880 6.022 ( 3.937 8.194 -2.352) 9.390 6.457 ( -7.095 2.180 0.074) 7.423 6.473 ( -2.083 -6.568 -3.342) 7.658 7.068 ( -2.931 -1.133 -3.002) 4.346 7.542 ( 16.617 2.176 -2.889) 17.006 7.784 ( 10.486 4.040 -10.673) 15.499 7.896 ( -9.037 -5.372 5.163) 11.712 8.143 ( -8.490 9.502 -9.641) 15.979 8.673 ( 4.666 -5.215 -2.824) 7.546 8.782 ( 1.336 8.022 5.609) 9.880 8.912 ( 2.852 -0.117 -5.401) 6.108 9.380 ( 3.177 5.088 -5.599) 8.205 9.525 ( 3.448 -1.242 4.850) 6.079 10.121 ( 1.310 -3.428 -6.039) 7.067 10.383 ( -0.519 -8.666 -7.467) 11.451 10.467 ( 3.129 1.943 -3.065) 4.792 10.722 ( -1.031 2.065 1.867) 2.969 10.959 ( 1.202 0.539 3.426) 3.670 11.145 ( -1.436 -3.832 -2.442) 4.766 11.503 ( 5.576 3.838 -4.238) 7.986 11.701 ( -6.941 12.957 20.813) 25.480 12.997 ( 10.839 -11.042 -4.042) 15.992 13.238 ( -0.885 -4.424 0.586) 4.550 13.424 ( -12.173 -1.279 6.374) 13.800 13.908 ( -1.730 3.220 -1.648) 4.010 14.687 ( 3.084 -0.660 -0.547) 3.201 15.052 ( -4.071 -0.202 4.545) 6.105 15.293 ( -5.374 -11.980 2.875) 13.442 15.640 ( -4.966 -3.733 -0.394) 6.225 16.036 ( -5.844 -1.838 7.003) 9.304 16.930 ( 5.747 -8.356 -14.591) 17.769 18.687 ( 14.846 12.520 0.878) 19.440 19.558 ( -1.918 3.506 -6.950) 8.017 21.439 ( 3.518 -0.662 -6.478) 7.402 21.657 ( 0.990 0.748 -5.472) 5.611 25.616 ( 0.943 0.997 5.543) 5.711 25.851 ( -3.863 1.672 7.236) 8.371 27.035 ( -15.382 -2.867 -20.866) 26.081 27.862 ( 4.480 -0.169 -8.256) 9.395 28.139 ( -8.473 2.124 10.744) 13.847 28.549 ( 6.610 2.974 12.325) 14.298 28.949 ( -2.170 -0.806 8.975) 9.268 29.213 ( 4.532 1.850 3.830) 6.215 29.968 ( -5.723 -6.343 -1.269) 8.637 30.369 ( -5.555 -0.928 4.487) 7.201 30.493 ( 1.001 0.965 -0.827) 1.618 32.996 ( 15.563 0.762 -14.875) 21.542 ======================= Grid point 80 (34/186) ======================= q-point: (-0.38 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -15.074 10.945 21.486) 28.437 2.487 ( -3.070 34.236 5.548) 34.819 3.233 ( 0.699 23.336 -8.807) 24.952 3.400 ( -8.091 -6.186 11.820) 15.602 3.562 ( -0.041 8.078 3.192) 8.686 3.765 ( -2.175 1.775 12.445) 12.757 3.874 ( -11.821 4.084 34.222) 36.436 4.363 ( 11.130 -1.139 10.024) 15.021 4.998 ( -4.397 3.973 5.543) 8.114 5.212 ( -4.363 -2.983 4.101) 6.689 5.373 ( -0.076 9.508 0.920) 9.553 5.529 ( 1.924 3.924 6.153) 7.547 5.964 ( -2.092 1.154 -2.157) 3.219 6.072 ( 0.487 0.376 7.750) 7.774 6.449 ( 0.688 -4.620 3.662) 5.935 6.573 ( 2.372 -6.677 -1.249) 7.195 6.933 ( -13.292 1.925 -8.400) 15.842 7.532 ( 0.572 17.510 -3.352) 17.837 7.713 ( 3.661 4.354 -0.389) 5.702 7.879 ( -7.085 -0.547 5.394) 8.921 7.990 ( 6.959 1.836 -19.033) 20.348 8.686 ( -1.359 4.956 -0.282) 5.147 8.760 ( 5.278 3.715 -0.712) 6.494 8.980 ( 0.673 -6.965 0.299) 7.004 9.300 ( -4.584 0.482 -3.405) 5.730 9.551 ( 2.140 8.480 7.899) 11.785 10.146 ( 0.935 -1.402 -13.429) 13.535 10.374 ( -2.936 3.359 0.061) 4.461 10.531 ( 2.077 -8.511 -5.417) 10.301 10.652 ( -0.035 3.873 2.870) 4.820 11.036 ( 2.706 -1.370 -3.870) 4.918 11.142 ( -0.948 -2.837 2.328) 3.790 11.529 ( 3.487 8.118 8.423) 12.207 11.576 ( -0.404 2.109 4.191) 4.709 13.221 ( -9.550 -3.716 13.088) 16.623 13.260 ( 11.098 -7.794 -14.818) 20.087 13.515 ( 2.820 -13.377 -2.719) 13.939 13.891 ( 4.134 -1.196 8.165) 9.229 14.731 ( 3.227 2.595 3.779) 5.606 14.942 ( -3.255 4.666 5.922) 8.212 15.488 ( -6.009 -19.264 -4.866) 20.758 15.710 ( 3.972 -7.232 3.457) 8.946 16.031 ( -3.989 -2.687 9.250) 10.425 17.013 ( 2.240 -4.633 -16.990) 17.753 18.706 ( 13.288 11.451 0.309) 17.544 19.435 ( -4.754 3.726 -5.441) 8.129 21.446 ( 2.194 1.050 -7.321) 7.714 21.652 ( 2.238 -0.300 -5.301) 5.762 25.647 ( 1.759 0.536 6.317) 6.579 25.819 ( -1.479 1.039 5.020) 5.336 26.776 ( -18.232 -1.738 -17.142) 25.085 27.887 ( 1.798 -1.812 -6.206) 6.711 28.061 ( -5.382 1.667 7.880) 9.687 28.644 ( 5.506 2.450 12.091) 13.509 28.945 ( -5.136 -0.035 9.956) 11.203 29.312 ( 8.854 -1.027 5.710) 10.586 29.948 ( -8.895 -5.129 -2.744) 10.628 30.307 ( -0.966 4.811 3.964) 6.309 30.463 ( -5.525 -0.176 -0.162) 5.530 33.105 ( 16.665 3.486 -17.948) 24.739 ======================= Grid point 81 (35/186) ======================= q-point: (-0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 0.281 30.909 21.069) 37.407 2.016 ( -6.325 31.614 23.537) 39.918 2.726 ( -10.100 31.379 -11.127) 34.792 3.337 ( -0.908 24.075 16.329) 29.104 3.402 ( -9.563 0.054 15.215) 17.971 3.746 ( -1.683 -2.479 5.178) 5.982 3.902 ( -11.842 -2.339 37.852) 39.730 4.572 ( 6.126 -3.693 6.474) 9.647 4.758 ( -14.676 4.826 5.937) 16.550 5.159 ( -2.954 5.541 -5.746) 8.511 5.261 ( 1.986 10.111 3.103) 10.761 5.688 ( 7.947 -9.736 4.747) 13.434 5.902 ( -2.448 0.428 -5.853) 6.359 6.088 ( -1.517 2.865 7.741) 8.393 6.388 ( -16.305 1.773 -5.169) 17.197 6.651 ( 4.378 -1.384 3.918) 6.035 6.871 ( 4.031 -9.311 -2.161) 10.374 7.311 ( 2.417 14.184 -3.669) 14.849 7.653 ( -3.963 5.094 3.992) 7.589 7.808 ( -5.916 -1.632 -4.754) 7.763 7.997 ( 10.565 5.528 -13.678) 18.146 8.573 ( -2.640 5.846 -4.082) 7.603 8.793 ( 4.365 -0.638 1.105) 4.548 9.053 ( -5.856 -5.458 2.625) 8.425 9.240 ( 1.058 5.156 -3.116) 6.117 9.401 ( -3.726 12.197 8.187) 15.155 10.101 ( 0.809 -0.273 -12.894) 12.923 10.269 ( -4.865 6.528 3.971) 9.058 10.639 ( 2.083 -7.942 -7.037) 10.813 10.690 ( 2.139 -3.748 -0.302) 4.326 10.999 ( 0.015 2.167 -5.074) 5.517 11.240 ( 2.438 -2.347 8.718) 9.352 11.461 ( -1.267 6.622 15.349) 16.764 11.555 ( 3.429 5.527 -15.463) 16.775 13.273 ( -4.042 -2.022 17.399) 17.976 13.303 ( -2.812 -8.385 -21.105) 22.884 13.718 ( 4.683 -11.090 -5.000) 13.035 14.160 ( 11.180 -9.138 13.241) 19.591 14.761 ( 3.623 -0.683 20.210) 20.544 14.929 ( -1.259 -1.565 4.573) 4.995 15.636 ( -3.129 -17.343 -10.162) 20.343 15.880 ( 2.146 -7.224 -0.489) 7.551 16.124 ( 3.554 -5.112 14.307) 15.603 16.958 ( -3.708 0.652 -21.615) 21.940 18.679 ( 4.497 9.773 -2.246) 10.990 19.325 ( -2.391 2.490 -1.605) 3.807 21.413 ( 1.021 2.199 -7.344) 7.734 21.677 ( 3.574 -1.146 -6.850) 7.811 25.678 ( -0.853 0.068 6.705) 6.759 25.841 ( 3.598 0.316 3.285) 4.882 26.519 ( -11.837 1.076 -9.610) 15.285 27.907 ( -2.361 -4.263 -3.612) 6.066 28.022 ( -1.604 1.215 6.017) 6.345 28.702 ( 1.146 2.884 14.875) 15.196 28.906 ( -7.068 -0.417 8.710) 11.224 29.487 ( 9.160 -2.550 6.305) 11.409 29.874 ( -9.135 -3.650 -2.599) 10.175 30.266 ( 3.029 5.441 4.054) 7.430 30.354 ( -8.562 2.010 -0.760) 8.828 33.165 ( 16.594 7.026 -26.846) 32.333 ======================= Grid point 82 (36/186) ======================= q-point: (-0.12 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 6.575 34.966 27.592) 45.024 1.617 ( 8.892 40.400 19.819) 45.869 2.218 ( 2.577 28.471 32.615) 43.370 3.099 ( 1.630 18.309 16.027) 24.388 3.326 ( -9.868 0.845 10.977) 14.785 3.799 ( -0.938 -3.860 4.674) 6.134 3.918 ( -12.130 -0.786 39.533) 41.359 4.461 ( -14.205 8.839 11.696) 20.413 4.691 ( -9.338 -8.059 -10.043) 15.906 5.077 ( 4.498 6.876 3.677) 9.002 5.161 ( 0.346 5.523 -2.767) 6.187 5.832 ( 5.753 4.096 -5.559) 8.988 5.850 ( 0.297 1.467 -9.148) 9.269 6.054 ( -7.306 -9.482 7.172) 13.955 6.249 ( -1.356 1.891 -2.111) 3.141 6.732 ( 1.833 0.291 6.319) 6.586 7.095 ( 8.852 -7.038 -0.567) 11.323 7.155 ( 3.659 9.228 -7.067) 12.185 7.572 ( -10.395 -5.186 9.499) 15.006 7.705 ( -3.822 2.028 -12.140) 12.888 8.040 ( 10.770 0.568 -4.891) 11.842 8.460 ( 4.339 7.563 -3.321) 9.330 8.852 ( 0.616 6.185 -0.575) 6.242 8.963 ( 1.295 5.475 -1.319) 5.778 9.157 ( -3.984 2.995 8.823) 10.134 9.311 ( -1.515 -1.386 -4.065) 4.554 10.085 ( 2.855 0.112 -11.402) 11.754 10.130 ( -6.318 4.231 6.641) 10.096 10.722 ( 1.741 -0.836 -8.456) 8.673 10.758 ( 2.001 -4.003 -1.786) 4.818 10.955 ( -0.211 1.787 -5.297) 5.594 11.311 ( 1.663 1.680 10.637) 10.897 11.369 ( -3.678 9.220 -10.820) 14.684 11.476 ( 8.614 4.797 7.165) 12.188 13.134 ( -1.255 4.759 -26.570) 27.022 13.495 ( -11.703 -22.338 26.878) 36.856 13.896 ( 5.090 -8.056 -4.062) 10.359 14.300 ( 1.141 1.836 2.000) 2.945 14.909 ( -3.555 -1.220 1.713) 4.130 15.122 ( -4.189 -21.486 39.883) 45.495 15.839 ( 5.849 -15.573 -12.375) 20.733 15.966 ( -0.201 -4.951 -1.292) 5.121 16.238 ( -14.565 -3.182 6.035) 16.084 16.796 ( 4.921 4.070 -18.856) 19.908 18.497 ( -9.428 9.235 -4.660) 13.996 19.306 ( 3.790 1.453 0.547) 4.096 21.362 ( 0.848 2.438 -7.347) 7.788 21.706 ( 3.454 -0.659 -9.128) 9.782 25.676 ( -3.379 -0.031 5.289) 6.277 25.851 ( -2.063 2.459 1.594) 3.584 26.555 ( 26.385 -2.389 2.618) 26.622 27.908 ( -6.377 -5.237 -1.907) 8.469 28.057 ( 0.020 -4.639 7.930) 9.187 28.724 ( -6.193 -0.832 23.469) 24.286 28.856 ( -5.534 -0.855 3.292) 6.496 29.573 ( -7.334 -3.547 3.210) 8.757 29.886 ( 5.567 -3.284 1.730) 6.691 30.187 ( -1.734 6.802 1.903) 7.273 30.294 ( 2.841 1.549 1.226) 3.461 33.025 ( 8.070 21.144 -42.904) 48.507 ======================= Grid point 85 (37/186) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 19.898 0.000 9.325) 21.975 2.420 ( -3.026 -0.000 19.496) 19.730 3.219 ( 6.434 0.000 3.343) 7.250 3.436 ( 4.418 0.000 45.618) 45.832 3.785 ( -4.134 -0.000 2.876) 5.036 3.814 ( -3.183 -0.000 31.793) 31.952 3.938 ( -1.141 -0.000 7.645) 7.730 4.570 ( 19.667 0.000 27.836) 34.083 4.751 ( 15.970 0.000 -0.364) 15.974 4.938 ( 2.601 0.000 -6.964) 7.434 5.452 ( 10.049 0.000 15.551) 18.515 5.659 ( 0.228 0.000 -3.226) 3.234 5.978 ( 0.206 0.000 -13.904) 13.905 6.157 ( 2.154 0.000 -1.215) 2.473 6.419 ( -13.078 -0.000 -6.008) 14.392 6.765 ( 19.383 0.000 6.664) 20.497 6.839 ( -7.055 -0.000 -2.255) 7.407 7.323 ( 16.614 0.000 -7.893) 18.394 7.579 ( 5.959 0.000 -6.217) 8.612 7.823 ( 0.937 0.000 0.611) 1.118 8.269 ( 2.455 0.000 -15.992) 16.179 8.540 ( -2.895 -0.000 3.070) 4.220 9.068 ( 2.853 0.000 -7.041) 7.597 9.075 ( 0.830 0.000 -10.979) 11.010 9.192 ( 4.934 0.000 17.363) 18.050 9.615 ( 19.755 0.000 -14.868) 24.725 10.146 ( -0.553 -0.000 -1.525) 1.622 10.223 ( -0.730 -0.000 -0.410) 0.837 10.497 ( -8.170 -0.000 0.212) 8.173 10.545 ( 13.116 0.000 -4.817) 13.972 10.948 ( -5.252 -0.000 -2.133) 5.668 11.055 ( -0.160 -0.000 4.058) 4.061 11.567 ( 2.817 0.000 2.033) 3.474 12.113 ( 4.728 0.000 3.416) 5.833 12.619 ( 0.099 0.000 -9.248) 9.249 13.579 ( -22.732 -0.000 29.861) 37.529 13.611 ( -16.471 -0.000 3.181) 16.775 14.032 ( -4.751 -0.000 -1.106) 4.878 14.375 ( -0.830 -0.000 0.747) 1.117 14.673 ( -0.894 -0.000 -3.524) 3.635 15.536 ( -18.115 -0.000 -2.443) 18.279 15.788 ( -13.004 -0.000 2.031) 13.162 15.952 ( -3.936 -0.000 6.537) 7.630 16.595 ( 15.942 0.000 -12.460) 20.233 18.868 ( 13.596 0.000 -1.470) 13.675 19.659 ( 3.941 0.000 -5.333) 6.631 21.380 ( 3.776 0.000 -4.442) 5.830 21.684 ( 1.848 0.000 -8.963) 9.152 25.622 ( -0.920 -0.000 6.046) 6.115 25.920 ( -4.625 -0.000 11.000) 11.933 27.199 ( -9.825 -0.000 -21.828) 23.938 27.857 ( 4.045 0.000 -9.127) 9.984 28.255 ( -5.670 -0.000 13.980) 15.086 28.667 ( -3.647 -0.000 -1.666) 4.009 28.864 ( 2.095 0.000 10.413) 10.621 29.444 ( 1.775 0.000 -4.973) 5.280 29.674 ( -14.135 -0.000 11.121) 17.986 30.132 ( -1.672 -0.000 7.069) 7.264 30.648 ( 7.258 0.000 -3.063) 7.878 32.766 ( 22.241 0.000 -12.949) 25.736 ======================= Grid point 86 (38/186) ======================= q-point: ( 0.38 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -12.194 2.050 22.102) 25.325 2.722 ( 11.254 -10.655 5.039) 16.297 3.276 ( 5.502 4.434 4.886) 8.591 3.663 ( -2.586 1.899 33.617) 33.770 3.776 ( 2.267 -1.381 20.464) 20.636 3.869 ( -7.579 0.063 24.209) 25.368 3.954 ( 4.747 5.039 7.407) 10.138 4.641 ( 5.899 9.868 11.437) 16.217 4.829 ( 8.459 14.136 -8.149) 18.379 5.209 ( 11.638 -18.310 6.647) 22.691 5.589 ( 3.991 5.937 5.011) 8.734 5.710 ( 6.922 -2.106 5.692) 9.206 5.870 ( -2.914 7.060 -7.841) 10.946 6.182 ( 1.453 -3.406 -0.710) 3.770 6.269 ( -7.424 -1.097 -3.465) 8.266 6.681 ( -4.014 8.078 -1.691) 9.178 7.013 ( 7.812 -1.531 1.590) 8.118 7.560 ( 21.824 0.341 -2.797) 22.005 7.709 ( 10.274 -5.588 -2.102) 11.883 7.832 ( 3.132 -1.016 -7.693) 8.368 8.252 ( 0.877 -1.951 -15.335) 15.484 8.522 ( -1.481 -1.821 0.071) 2.348 8.976 ( -1.100 4.782 -6.807) 8.391 9.055 ( -0.047 4.498 -3.259) 5.555 9.306 ( 3.184 -0.656 12.986) 13.387 9.780 ( 18.759 6.960 -10.207) 22.461 10.107 ( -1.169 0.284 -1.567) 1.976 10.299 ( 2.924 -6.425 -3.127) 7.721 10.305 ( -8.195 4.399 -3.529) 9.948 10.720 ( 5.321 -4.210 -1.177) 6.886 10.914 ( -3.513 -3.997 -0.807) 5.382 11.059 ( -0.672 -0.205 0.476) 0.849 11.592 ( 3.210 2.048 -0.982) 3.932 12.091 ( -3.345 9.630 12.780) 16.348 12.683 ( 4.711 -8.347 -2.668) 9.949 13.300 ( -9.438 9.515 9.216) 16.265 13.454 ( -17.985 0.628 9.277) 20.247 13.974 ( -1.353 1.323 -2.905) 3.467 14.532 ( -3.157 -20.777 3.018) 21.231 14.677 ( 3.209 -0.709 -3.494) 4.797 15.316 ( -12.950 2.286 1.118) 13.197 15.620 ( -10.268 1.802 1.790) 10.577 15.941 ( -7.482 -3.753 6.394) 10.533 16.757 ( 13.121 -3.223 -13.965) 19.431 18.989 ( 14.047 6.820 -0.130) 15.616 19.645 ( -0.154 2.155 -6.485) 6.836 21.415 ( 3.993 -0.649 -5.707) 6.995 21.669 ( 0.834 0.098 -6.942) 6.993 25.635 ( -0.280 0.382 6.220) 6.238 25.886 ( -5.847 0.728 8.998) 10.756 26.991 ( -10.905 -0.603 -19.728) 22.549 27.863 ( 2.537 0.108 -7.887) 8.286 28.211 ( -7.953 2.282 14.258) 16.484 28.611 ( -0.349 1.058 0.862) 1.409 28.941 ( 2.856 0.225 8.915) 9.364 29.350 ( 1.728 8.676 3.397) 9.476 29.707 ( -8.045 -13.160 2.272) 15.590 30.169 ( -3.271 -4.850 6.748) 8.931 30.679 ( 6.174 5.276 -4.156) 9.123 32.984 ( 18.223 -0.717 -12.584) 22.158 ======================= Grid point 87 (39/186) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -14.486 3.250 27.052) 30.858 3.011 ( 2.201 -14.170 4.292) 14.968 3.246 ( 4.384 12.657 1.119) 13.441 3.651 ( -1.049 4.316 15.644) 16.262 3.758 ( -2.192 10.958 12.567) 16.817 3.911 ( -5.612 0.580 22.167) 22.874 3.983 ( -0.864 7.865 23.357) 24.661 4.676 ( 12.215 13.789 -4.390) 18.937 4.724 ( 3.814 -2.294 10.751) 11.636 5.467 ( -5.581 11.945 -0.275) 13.188 5.540 ( 5.659 -7.296 3.906) 10.026 5.646 ( -2.068 8.627 -1.369) 8.976 5.857 ( -0.833 -6.887 0.410) 6.949 6.196 ( -3.995 -0.630 -0.872) 4.137 6.352 ( 13.589 -3.071 6.230) 15.261 6.507 ( -3.479 8.059 -0.210) 8.780 7.008 ( -4.401 4.869 -2.432) 7.000 7.743 ( -0.326 1.284 0.490) 1.412 7.779 ( 4.297 -0.187 -0.210) 4.306 7.980 ( 22.553 2.470 -12.800) 26.050 8.159 ( -2.442 7.777 -8.090) 11.484 8.634 ( 8.373 -9.191 -4.186) 13.119 8.856 ( -4.319 4.586 -4.902) 7.982 8.980 ( 1.358 5.809 0.895) 6.033 9.342 ( -6.008 0.210 6.620) 8.942 9.779 ( 11.620 13.341 -6.648) 18.900 10.092 ( 0.612 -0.814 1.399) 1.730 10.236 ( -0.244 -5.614 -9.135) 10.725 10.464 ( 4.393 -10.035 -2.722) 11.288 10.743 ( -0.682 4.574 -1.150) 4.766 10.928 ( -5.331 -4.571 5.544) 8.947 11.071 ( 0.538 -2.795 -5.885) 6.537 11.603 ( 5.579 2.264 -2.782) 6.633 11.895 ( -8.554 15.258 22.251) 28.303 12.910 ( 6.073 -13.345 -5.057) 15.509 13.159 ( -8.206 -0.623 1.567) 8.377 13.326 ( -3.110 -0.739 6.880) 7.586 13.929 ( -0.452 2.290 -0.224) 2.344 14.732 ( 5.496 -1.598 -0.121) 5.725 14.824 ( -4.677 -23.837 0.808) 24.305 15.154 ( -6.720 4.984 3.143) 8.938 15.523 ( -7.709 -4.229 2.192) 9.061 15.926 ( -7.500 -4.461 7.732) 11.659 16.887 ( 9.078 -3.491 -16.192) 18.888 19.043 ( 14.016 10.663 -1.372) 17.664 19.550 ( -3.700 4.008 -5.929) 8.057 21.448 ( 3.767 -0.564 -7.854) 8.729 21.651 ( 0.178 0.036 -4.536) 4.539 25.656 ( 0.082 0.110 6.525) 6.526 25.836 ( -4.900 0.377 6.296) 7.988 26.780 ( -10.509 1.413 -15.367) 18.670 27.860 ( 1.437 -0.402 -7.217) 7.370 28.125 ( -6.602 2.992 11.252) 13.385 28.652 ( 2.773 -2.558 2.733) 4.658 28.982 ( 0.241 2.593 10.478) 10.797 29.330 ( 4.479 2.766 6.112) 8.066 29.768 ( -7.296 -8.766 -0.340) 11.410 30.219 ( -4.675 -5.762 5.729) 9.375 30.637 ( 4.544 8.066 -3.935) 10.059 33.139 ( 13.991 0.244 -13.596) 19.511 ======================= Grid point 88 (40/186) ======================= q-point: (-0.38 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -10.556 4.228 33.161) 35.057 2.946 ( -1.547 25.516 7.333) 26.594 3.255 ( -0.041 -8.572 3.242) 9.164 3.573 ( 1.873 22.086 -0.644) 22.175 3.651 ( -1.996 4.594 4.026) 6.426 3.822 ( -2.886 6.094 14.634) 16.113 3.939 ( -9.989 1.888 30.736) 32.374 4.627 ( 11.980 13.930 6.259) 19.410 4.936 ( -2.659 -9.630 5.855) 11.579 5.177 ( -9.612 8.966 5.479) 14.240 5.509 ( 0.030 8.206 -0.101) 8.207 5.612 ( 1.244 4.304 2.217) 4.999 5.892 ( -3.990 -2.213 -1.500) 4.803 6.214 ( 2.487 -1.531 1.098) 3.120 6.423 ( 2.786 2.046 3.099) 4.642 6.609 ( 13.162 -1.963 9.547) 16.378 6.751 ( -16.370 7.488 -6.896) 19.277 7.593 ( -8.276 5.568 0.122) 9.976 7.838 ( 3.923 2.508 -0.445) 4.677 7.953 ( -1.606 12.276 -9.655) 15.700 8.154 ( 21.894 6.234 -11.964) 25.716 8.706 ( -6.487 3.996 -3.341) 8.320 8.827 ( 5.527 -2.316 -1.426) 6.160 8.945 ( 0.372 1.381 2.447) 2.834 9.218 ( -8.459 2.348 2.578) 9.150 9.766 ( 7.758 6.463 -0.603) 10.116 10.126 ( 4.063 0.624 -7.636) 8.672 10.306 ( 0.813 -5.822 -4.103) 7.169 10.556 ( 3.083 5.463 -2.686) 6.824 10.649 ( -4.181 -1.170 1.664) 4.650 11.006 ( 0.669 -7.655 1.901) 7.916 11.068 ( -1.649 -2.747 -2.932) 4.343 11.635 ( 3.560 1.635 -5.223) 6.529 11.688 ( -7.432 11.556 22.062) 25.990 12.982 ( -8.696 -9.824 -12.765) 18.305 13.254 ( 4.453 -6.678 7.514) 10.994 13.425 ( 5.655 -7.541 -1.516) 9.547 13.944 ( 2.897 -2.550 8.898) 9.699 14.820 ( 5.080 -0.438 1.483) 5.310 15.009 ( -2.518 6.755 6.675) 9.825 15.076 ( -7.233 -21.206 -3.581) 22.690 15.578 ( -3.708 -12.118 0.764) 12.696 15.961 ( -3.637 -6.194 11.790) 13.805 16.942 ( 4.649 -1.610 -19.661) 20.267 19.018 ( 8.472 12.729 -6.853) 16.757 19.425 ( -2.718 4.367 -1.446) 5.343 21.455 ( 2.656 0.692 -9.606) 9.991 21.646 ( 0.752 -0.929 -3.262) 3.474 25.676 ( -1.840 -0.268 6.664) 6.919 25.820 ( -1.326 -1.199 4.232) 4.594 26.588 ( -4.784 3.814 -8.801) 10.718 27.851 ( 0.023 -0.814 -6.867) 6.915 28.065 ( -3.668 1.891 8.300) 9.269 28.738 ( 2.859 -2.524 1.985) 4.300 28.956 ( -3.855 4.542 13.280) 14.555 29.420 ( 4.712 -1.999 7.098) 8.751 29.771 ( -4.883 -4.384 -0.566) 6.587 30.248 ( -4.351 -4.000 4.039) 7.159 30.546 ( 2.023 9.166 -2.249) 9.652 33.227 ( 9.860 0.271 -16.682) 19.380 ======================= Grid point 89 (41/186) ======================= q-point: (-0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -3.034 7.080 39.580) 40.323 2.571 ( 1.789 33.068 14.748) 36.252 3.117 ( 3.024 34.076 -15.454) 37.539 3.338 ( -3.905 -0.070 7.896) 8.809 3.621 ( 0.192 -0.033 4.459) 4.464 3.781 ( -4.955 6.581 15.038) 17.146 3.910 ( -9.412 3.106 38.812) 40.058 4.567 ( -3.816 6.845 -1.217) 7.930 4.769 ( -6.870 11.931 4.380) 14.447 5.163 ( -2.655 -2.040 0.822) 3.447 5.457 ( 2.478 8.650 5.544) 10.569 5.594 ( -0.404 -6.917 6.606) 9.573 5.849 ( -1.670 0.699 -4.961) 5.281 6.186 ( -18.173 7.422 -5.469) 20.378 6.300 ( 9.041 7.645 5.773) 13.172 6.651 ( 2.175 -7.667 1.705) 8.150 6.863 ( 12.785 -4.224 7.162) 15.251 7.444 ( -1.937 5.781 -2.096) 6.447 7.695 ( -6.521 11.102 -9.166) 15.805 7.814 ( 0.529 6.554 2.021) 6.879 8.243 ( 17.839 10.069 -14.979) 25.377 8.588 ( -3.240 1.521 -3.697) 5.146 8.826 ( -1.866 0.801 2.648) 3.337 8.929 ( -4.415 -0.214 3.298) 5.515 9.182 ( -1.976 -4.318 -1.580) 5.005 9.690 ( 2.672 16.868 5.869) 18.059 10.088 ( 3.775 4.029 -14.662) 15.667 10.337 ( -0.270 4.279 2.427) 4.927 10.542 ( 2.595 -5.400 -3.107) 6.749 10.669 ( -0.368 -3.498 2.731) 4.453 11.000 ( -0.202 1.847 -7.195) 7.431 11.210 ( 0.741 -9.351 6.244) 11.268 11.566 ( -3.946 1.628 -2.682) 5.041 11.578 ( -2.687 7.420 9.513) 12.361 12.997 ( -6.862 -12.586 -11.293) 18.249 13.314 ( 0.150 3.106 1.092) 3.296 13.625 ( 5.599 -10.549 -1.904) 12.093 14.149 ( 0.473 -11.675 15.845) 19.687 14.870 ( 0.993 0.346 4.493) 4.614 14.914 ( -2.428 4.108 10.412) 11.453 15.321 ( 3.046 -21.137 -6.218) 22.242 15.706 ( -4.180 -12.616 -1.658) 13.393 16.084 ( -3.142 -7.279 13.893) 15.996 16.898 ( 3.682 1.773 -22.889) 23.251 18.826 ( -4.270 13.411 -10.769) 17.722 19.379 ( 3.913 3.807 1.526) 5.668 21.424 ( 1.712 1.931 -9.321) 9.671 21.667 ( 1.634 -1.821 -4.501) 5.123 25.667 ( -3.894 -0.536 5.232) 6.545 25.848 ( -1.754 -1.776 3.711) 4.473 26.557 ( 13.191 2.382 -0.608) 13.418 27.825 ( -1.732 -0.943 -7.116) 7.384 28.043 ( -1.665 0.826 7.311) 7.543 28.798 ( 1.690 -1.255 0.814) 2.257 28.868 ( -8.053 5.640 16.515) 19.220 29.474 ( -7.747 -3.451 3.049) 9.012 29.832 ( 8.681 -1.612 3.143) 9.372 30.255 ( -3.197 -1.766 1.173) 3.836 30.434 ( 1.382 8.287 1.482) 8.531 33.235 ( 4.008 1.155 -22.474) 22.857 ======================= Grid point 90 (42/186) ======================= q-point: (-0.12 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 6.461 29.377 28.658) 41.546 2.257 ( 2.176 20.122 31.555) 37.488 2.749 ( 17.645 22.897 -8.669) 30.179 3.277 ( -6.047 3.474 8.354) 10.882 3.576 ( 1.288 19.689 28.169) 34.392 3.734 ( -1.889 -5.031 3.488) 6.407 3.932 ( -7.707 0.108 38.334) 39.101 4.380 ( -13.938 2.971 2.598) 14.486 4.560 ( -2.591 8.195 -6.745) 10.926 5.106 ( -6.651 1.049 -6.240) 9.180 5.351 ( 4.124 12.326 7.100) 14.811 5.773 ( -2.590 -10.322 1.689) 10.775 5.820 ( 2.935 -2.142 -4.805) 6.024 5.933 ( -5.593 1.382 2.660) 6.345 6.381 ( 8.940 3.432 2.302) 9.849 6.759 ( 2.060 -1.683 1.268) 2.946 7.088 ( 5.838 -4.295 5.274) 8.964 7.364 ( 5.989 11.926 -10.527) 16.997 7.433 ( -8.410 0.832 -0.804) 8.490 7.723 ( -0.083 6.742 2.974) 7.369 8.249 ( 13.936 8.721 -9.772) 19.125 8.549 ( 2.775 0.125 -6.091) 6.695 8.847 ( -7.100 -6.964 1.887) 10.123 8.893 ( 0.785 0.104 -0.517) 0.946 9.214 ( -1.463 -4.180 -0.445) 4.451 9.448 ( 1.939 22.711 4.677) 23.268 10.059 ( 2.373 -0.874 -8.047) 8.435 10.217 ( 0.610 9.988 -0.993) 10.055 10.706 ( 1.571 -6.396 0.436) 6.600 10.726 ( 3.616 -3.093 0.562) 4.792 10.915 ( -4.307 1.392 -7.824) 9.039 11.322 ( -1.510 -3.499 4.144) 5.630 11.416 ( -2.047 6.631 -7.082) 9.916 11.593 ( 1.771 -2.024 11.293) 11.609 13.005 ( -3.970 -6.027 -23.008) 24.114 13.278 ( -5.731 -1.695 15.114) 16.253 13.818 ( 2.950 -9.827 -0.746) 10.288 14.250 ( -11.029 -4.708 9.571) 15.343 14.842 ( -5.109 -0.463 -1.187) 5.266 14.972 ( -4.110 -5.335 22.582) 23.565 15.673 ( 7.352 -18.084 -3.825) 19.893 15.795 ( -4.887 -10.128 -0.833) 11.277 16.065 ( -11.244 2.583 2.832) 11.879 16.891 ( 10.706 0.796 -17.470) 20.505 18.505 ( -8.916 11.370 -8.903) 16.971 19.414 ( 7.406 2.374 0.189) 7.780 21.382 ( 1.999 2.294 -7.916) 8.480 21.692 ( 1.860 -1.574 -6.708) 7.136 25.638 ( -4.413 -0.517 4.040) 6.005 25.850 ( -2.061 -0.450 6.047) 6.404 26.889 ( 32.918 -6.646 -0.753) 33.591 27.775 ( -3.841 -1.269 -7.927) 8.899 28.059 ( -0.814 -0.839 9.566) 9.637 28.734 ( -12.754 3.325 16.734) 21.301 28.829 ( 1.552 0.931 3.368) 3.823 29.386 ( -12.044 -3.041 1.137) 12.474 29.992 ( 9.714 0.600 2.185) 9.975 30.203 ( -2.589 1.317 1.250) 3.162 30.426 ( 6.623 3.160 4.530) 8.624 33.079 ( -3.399 8.336 -28.514) 29.902 ======================= Grid point 94 (43/186) ======================= q-point: ( 0.38 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -16.112 -0.000 33.982) 37.608 2.758 ( 6.316 0.000 0.053) 6.317 3.382 ( 4.172 0.000 3.047) 5.166 3.748 ( -2.578 -0.000 6.083) 6.607 3.830 ( -9.703 -0.000 45.152) 46.183 3.928 ( -0.879 -0.000 26.056) 26.071 4.066 ( 4.216 0.000 10.167) 11.006 4.836 ( -0.479 -0.000 7.079) 7.095 5.052 ( 9.281 0.000 -3.928) 10.079 5.188 ( 13.173 0.000 4.938) 14.068 5.635 ( 0.033 0.000 -1.802) 1.802 5.791 ( -3.077 -0.000 -4.695) 5.614 5.920 ( 4.112 0.000 -13.019) 13.653 5.984 ( -8.116 -0.000 7.303) 10.917 6.352 ( 7.547 0.000 9.829) 12.392 6.631 ( -6.957 -0.000 -7.509) 10.236 7.169 ( 9.554 0.000 2.614) 9.905 7.739 ( -3.085 -0.000 7.690) 8.286 7.779 ( 10.513 0.000 -5.103) 11.686 7.994 ( 34.581 0.000 -12.103) 36.638 8.203 ( 3.927 0.000 -19.183) 19.581 8.507 ( 1.061 0.000 2.001) 2.265 8.944 ( -4.649 -0.000 -7.861) 9.133 9.049 ( 0.899 0.000 -7.254) 7.309 9.380 ( -5.116 -0.000 18.147) 18.854 9.991 ( 15.673 0.000 -14.574) 21.402 10.118 ( 4.338 0.000 1.524) 4.598 10.239 ( -0.834 -0.000 -5.688) 5.749 10.249 ( -14.439 -0.000 8.284) 16.646 10.695 ( 4.757 0.000 -4.999) 6.901 10.870 ( -0.428 -0.000 -3.902) 3.925 11.041 ( -1.571 -0.000 -1.840) 2.419 11.644 ( 3.736 0.000 -2.635) 4.571 12.154 ( -6.984 -0.000 17.026) 18.403 12.692 ( 6.375 0.000 0.218) 6.378 13.190 ( -15.145 -0.000 -1.881) 15.262 13.374 ( -9.030 -0.000 19.078) 21.107 13.966 ( -0.001 -0.000 -1.162) 1.162 14.346 ( -1.344 -0.000 -0.428) 1.410 14.724 ( 6.535 0.000 -3.337) 7.338 15.208 ( -7.323 -0.000 2.545) 7.752 15.500 ( -10.677 -0.000 1.538) 10.787 15.843 ( -8.266 -0.000 7.606) 11.233 16.838 ( 11.214 0.000 -15.935) 19.485 19.203 ( 12.721 0.000 -1.039) 12.764 19.615 ( -3.184 -0.000 -6.207) 6.976 21.437 ( 4.315 0.000 -7.911) 9.012 21.650 ( -0.140 -0.000 -5.282) 5.284 25.656 ( -0.753 -0.000 6.482) 6.526 25.842 ( -6.430 -0.000 6.903) 9.434 26.809 ( -6.326 -0.000 -15.949) 17.158 27.856 ( 1.267 0.000 -7.357) 7.466 28.189 ( -7.875 -0.000 14.837) 16.797 28.581 ( -1.948 -0.000 -1.121) 2.248 29.033 ( 4.233 0.000 8.523) 9.516 29.466 ( -8.179 -0.000 7.010) 10.772 29.521 ( 4.664 0.000 1.803) 5.000 30.136 ( -2.177 -0.000 6.534) 6.887 30.762 ( 4.521 0.000 -6.215) 7.686 33.142 ( 14.335 0.000 -12.344) 18.917 ======================= Grid point 95 (44/186) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -13.767 2.631 37.925) 40.432 2.888 ( 2.908 -8.906 2.143) 9.610 3.391 ( 0.335 4.614 -0.166) 4.629 3.717 ( -2.588 2.585 10.758) 11.363 3.834 ( -12.193 -0.715 26.227) 28.932 3.970 ( -2.903 5.127 21.264) 22.065 4.162 ( -0.747 2.207 20.263) 20.397 4.741 ( -0.960 8.057 8.808) 11.976 5.084 ( 11.770 12.437 -2.734) 17.340 5.467 ( 3.938 -14.430 2.292) 15.132 5.547 ( -8.122 9.838 -6.208) 14.188 5.652 ( -0.756 0.431 -1.829) 2.026 5.847 ( 2.962 4.946 -2.505) 6.286 6.071 ( -1.894 -6.529 1.212) 6.905 6.451 ( -5.104 -0.616 0.490) 5.165 6.563 ( 7.442 -0.816 2.347) 7.846 7.172 ( 4.389 13.740 2.629) 14.662 7.684 ( -6.236 1.495 0.564) 6.437 7.866 ( 5.480 0.026 -3.450) 6.476 8.153 ( 4.855 3.212 -22.317) 23.064 8.367 ( 23.586 6.443 0.042) 24.451 8.630 ( 11.504 -7.998 0.757) 14.032 8.822 ( -5.690 3.551 -6.189) 9.127 9.029 ( 1.610 1.165 -7.074) 7.348 9.327 ( -7.382 3.147 12.291) 14.679 9.970 ( -9.319 10.340 -1.894) 14.048 10.074 ( 0.930 -2.385 1.053) 2.768 10.218 ( 7.447 -2.626 -10.264) 12.950 10.344 ( 4.409 -10.343 4.209) 12.006 10.793 ( -1.161 -4.954 3.089) 5.952 10.812 ( 0.436 4.775 -5.086) 6.990 11.024 ( 0.368 -1.990 -6.888) 7.179 11.669 ( 2.886 0.711 -3.730) 4.770 12.053 ( -9.267 10.380 23.047) 26.922 12.746 ( -5.930 -5.874 -12.376) 14.927 13.096 ( 1.184 -2.378 8.900) 9.288 13.341 ( -2.312 0.959 10.888) 11.172 13.959 ( 0.516 1.498 1.920) 2.490 14.459 ( -3.183 -17.059 0.772) 17.371 14.803 ( 6.480 -0.668 -2.968) 7.158 15.167 ( -0.416 0.072 2.179) 2.220 15.380 ( -8.819 -0.025 2.832) 9.262 15.804 ( -6.909 -4.219 8.840) 11.986 16.897 ( 7.155 -1.116 -18.347) 19.724 19.293 ( 8.819 5.791 -6.986) 12.653 19.530 ( -3.398 2.439 -1.609) 4.481 21.457 ( 4.403 -0.170 -11.043) 11.889 21.628 ( -1.012 -0.378 -2.784) 2.986 25.666 ( -2.338 -0.305 6.373) 6.795 25.794 ( -4.336 -0.505 4.521) 6.285 26.696 ( -0.008 2.893 -10.906) 11.283 27.839 ( 0.660 -0.147 -7.647) 7.677 28.129 ( -6.539 2.364 12.378) 14.197 28.601 ( -0.345 -5.128 -0.010) 5.139 29.087 ( 1.639 3.503 10.316) 11.017 29.397 ( -2.833 0.430 6.024) 6.670 29.629 ( 1.476 -4.688 4.293) 6.526 30.149 ( -2.417 -2.221 5.968) 6.811 30.752 ( 2.954 4.432 -6.655) 8.524 33.235 ( 8.707 0.366 -13.413) 15.995 ======================= Grid point 96 (45/186) ======================= q-point: (-0.38 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -7.405 1.964 38.353) 39.111 3.061 ( 0.807 -7.711 7.715) 10.938 3.271 ( -1.868 7.664 -4.024) 8.855 3.667 ( -10.596 3.871 16.413) 19.916 3.779 ( -1.966 3.327 5.352) 6.601 3.922 ( -8.703 2.635 24.140) 25.796 4.040 ( -3.161 19.057 12.743) 23.142 4.762 ( -6.399 -8.670 12.447) 16.463 4.983 ( 2.662 15.468 0.127) 15.696 5.263 ( -1.097 13.715 -3.361) 14.164 5.599 ( -0.019 5.330 -0.780) 5.387 5.646 ( -2.870 -3.224 4.091) 5.947 5.850 ( 3.020 -0.120 -0.962) 3.172 6.131 ( -2.504 -4.144 -0.606) 4.880 6.377 ( -4.100 -6.273 -4.095) 8.540 6.708 ( 2.501 2.119 7.481) 8.168 6.992 ( 7.859 18.350 8.046) 21.523 7.564 ( -5.372 3.555 -1.968) 6.736 7.888 ( 0.504 1.694 -2.863) 3.365 8.018 ( 0.199 7.646 -17.554) 19.148 8.478 ( 13.336 6.907 -7.561) 16.814 8.658 ( -4.254 4.896 -3.141) 7.206 8.864 ( 4.554 -2.599 3.975) 6.580 9.004 ( 3.722 4.038 -5.078) 7.479 9.201 ( -6.791 6.866 7.828) 12.431 9.851 ( 1.935 -0.269 -2.649) 3.292 10.133 ( -1.361 -5.730 6.568) 8.822 10.306 ( 8.741 0.002 -13.333) 15.943 10.527 ( -0.353 -7.704 0.899) 7.765 10.700 ( 1.336 8.285 -3.356) 9.039 10.861 ( -2.709 -8.379 7.481) 11.555 11.034 ( 1.595 -0.564 -7.819) 8.000 11.633 ( -5.195 2.325 -3.579) 6.723 11.864 ( -5.607 13.429 20.514) 25.151 12.686 ( -6.684 -9.497 -14.997) 18.967 13.273 ( 6.288 -4.954 10.591) 13.276 13.393 ( 1.461 -4.882 3.710) 6.303 13.968 ( -0.086 -0.617 6.890) 6.918 14.692 ( -2.018 -20.467 1.593) 20.628 14.864 ( 2.064 -1.959 -3.243) 4.315 15.154 ( 2.547 8.366 5.921) 10.561 15.362 ( -3.796 -9.898 0.304) 10.606 15.868 ( -2.363 -7.670 11.018) 13.631 16.898 ( 3.132 -1.000 -21.046) 21.301 19.173 ( -2.669 10.438 -13.166) 17.012 19.495 ( 3.639 3.900 2.817) 6.032 21.459 ( 3.667 0.573 -13.042) 13.560 21.620 ( -0.691 -1.392 -1.303) 2.028 25.650 ( -4.519 -0.605 4.817) 6.632 25.792 ( -1.691 -1.792 4.002) 4.699 26.665 ( 9.802 4.631 -4.832) 11.869 27.814 ( -0.025 -0.133 -8.442) 8.443 28.076 ( -4.139 1.574 9.653) 10.621 28.682 ( -0.423 -6.070 -0.212) 6.089 29.055 ( -2.747 6.469 13.328) 15.068 29.397 ( -4.386 -1.819 4.295) 6.403 29.749 ( 6.037 -4.360 7.200) 10.358 30.176 ( -2.347 -2.972 4.600) 5.958 30.668 ( 0.775 7.489 -5.303) 9.209 33.245 ( 2.855 0.406 -15.910) 16.169 ======================= Grid point 97 (46/186) ======================= q-point: (-0.25 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -1.188 0.441 36.700) 36.721 3.013 ( 1.230 17.546 5.935) 18.564 3.254 ( -2.409 -0.704 4.149) 4.849 3.467 ( -11.523 6.889 6.307) 14.833 3.668 ( 2.288 14.160 0.348) 14.348 3.830 ( -6.162 7.090 16.875) 19.314 3.888 ( -11.726 -3.850 20.724) 24.120 4.717 ( -5.838 15.602 1.002) 16.689 4.789 ( -9.985 -0.854 4.398) 10.944 5.152 ( 3.029 8.032 3.688) 9.343 5.528 ( -2.293 2.739 6.543) 7.455 5.600 ( -4.289 0.868 2.866) 5.231 5.885 ( 4.998 2.340 -1.120) 5.631 6.028 ( -9.846 1.934 -6.551) 11.983 6.528 ( 2.483 -4.333 4.801) 6.927 6.595 ( 2.834 6.486 11.109) 13.172 7.058 ( 10.140 1.626 5.551) 11.673 7.465 ( 0.451 3.216 -4.474) 5.528 7.707 ( -7.556 8.790 -14.385) 18.474 7.944 ( 4.627 6.047 1.134) 7.698 8.408 ( -5.195 2.454 -7.037) 9.085 8.640 ( 13.497 5.057 -11.308) 18.320 8.816 ( -6.104 6.986 3.387) 9.876 8.972 ( 2.043 3.992 0.022) 4.484 9.117 ( -3.162 0.495 5.091) 6.013 9.860 ( 0.023 3.793 4.082) 5.572 10.232 ( 8.150 8.536 -10.828) 16.017 10.328 ( 1.565 -8.378 2.026) 8.760 10.570 ( -0.447 8.659 -1.959) 8.889 10.606 ( 0.037 -5.316 1.425) 5.504 10.982 ( -1.913 0.627 -7.253) 7.527 11.059 ( -0.943 -13.284 4.088) 13.930 11.478 ( -8.664 1.340 -3.169) 9.322 11.718 ( -2.745 10.584 13.370) 17.272 12.735 ( -0.393 -10.310 -12.734) 16.389 13.372 ( 1.558 1.797 3.419) 4.165 13.536 ( 1.462 -9.248 4.110) 10.225 14.026 ( -5.397 -6.346 10.981) 13.784 14.822 ( -4.370 -1.248 0.476) 4.570 15.014 ( 2.158 -9.347 -1.117) 9.658 15.141 ( 7.054 -4.763 9.379) 12.665 15.497 ( 0.858 -10.710 -1.256) 10.817 16.000 ( -2.017 -6.372 10.246) 12.233 16.861 ( 3.473 -1.857 -21.388) 21.747 18.876 ( -8.826 13.790 -11.893) 20.236 19.506 ( 5.398 3.932 0.220) 6.682 21.436 ( 2.914 1.383 -11.818) 12.250 21.636 ( 0.338 -2.163 -2.658) 3.444 25.617 ( -4.566 -0.900 3.273) 5.689 25.813 ( -1.948 -1.829 4.778) 5.474 26.817 ( 22.720 0.797 -0.755) 22.746 27.772 ( -0.996 0.287 -10.000) 10.054 28.058 ( -2.515 0.360 9.021) 9.372 28.726 ( -4.280 -3.339 0.479) 5.449 28.965 ( -4.469 7.051 15.301) 17.430 29.341 ( -8.078 -0.119 2.334) 8.410 29.960 ( 10.839 -3.814 8.470) 14.275 30.209 ( -0.659 -2.474 1.807) 3.133 30.543 ( -0.807 6.777 -1.337) 6.955 33.170 ( -2.508 0.821 -19.447) 19.625 ======================= Grid point 98 (47/186) ======================= q-point: (-0.12 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 1.782 -0.208 32.076) 32.126 2.768 ( 6.039 28.930 13.197) 32.366 3.010 ( -9.076 8.671 -9.669) 15.844 3.410 ( 1.591 8.403 18.146) 20.061 3.610 ( -2.623 -5.470 2.379) 6.516 3.741 ( -7.526 4.724 18.256) 20.304 3.901 ( -9.423 -7.014 16.042) 19.883 4.488 ( -0.135 11.807 6.572) 13.513 4.610 ( -7.538 8.199 -2.037) 11.322 5.039 ( -3.434 7.797 0.027) 8.520 5.523 ( -2.310 -0.654 13.147) 13.365 5.613 ( -2.417 -4.933 2.385) 5.989 5.888 ( -0.271 4.571 -1.364) 4.777 5.915 ( 5.346 1.645 -1.204) 5.722 6.510 ( 0.512 3.499 9.765) 10.386 6.744 ( 2.660 -5.085 1.190) 5.861 7.111 ( -1.854 0.045 -0.877) 2.051 7.419 ( -2.483 9.014 -7.104) 11.743 7.512 ( 7.822 1.009 -8.588) 11.660 7.911 ( 6.917 11.234 6.483) 14.699 8.336 ( -5.131 -5.572 -3.768) 8.460 8.645 ( 8.266 10.323 -6.723) 14.836 8.727 ( 2.529 -2.976 -10.075) 10.806 8.899 ( -4.660 5.444 3.995) 8.204 9.134 ( -0.554 -4.693 1.798) 5.056 9.758 ( -2.819 13.978 9.988) 17.409 10.110 ( 6.253 8.176 -11.973) 15.789 10.374 ( 2.050 9.296 -0.904) 9.563 10.619 ( 2.473 -10.520 0.635) 10.826 10.679 ( -0.537 -7.232 2.232) 7.587 10.852 ( -5.652 4.183 -8.863) 11.314 11.222 ( -2.378 -8.673 1.708) 9.154 11.410 ( -0.764 -1.694 -5.013) 5.346 11.625 ( -3.448 3.189 14.314) 15.064 12.819 ( 2.416 -6.056 -12.133) 13.774 13.326 ( -0.340 6.265 2.080) 6.610 13.681 ( -3.810 -10.282 5.934) 12.468 14.049 ( -10.547 -5.464 7.799) 14.209 14.763 ( -5.047 -0.191 -0.885) 5.128 15.050 ( 3.396 3.702 9.316) 10.585 15.406 ( -7.420 -15.525 1.336) 17.259 15.707 ( 10.979 -10.674 1.598) 15.395 16.006 ( -5.280 1.712 2.132) 5.946 16.922 ( 8.879 -4.701 -15.535) 18.501 18.522 ( -8.446 12.476 -8.158) 17.133 19.528 ( 5.590 2.067 -2.579) 6.494 21.409 ( 3.067 1.693 -9.234) 9.876 21.661 ( 0.964 -2.117 -4.728) 5.269 25.590 ( -3.517 -1.013 3.192) 4.856 25.835 ( -1.817 -1.736 6.501) 6.970 27.187 ( 29.409 -5.552 -5.427) 30.417 27.698 ( -2.407 0.955 -11.559) 11.845 28.076 ( -1.274 -0.957 11.387) 11.497 28.640 ( -13.469 1.736 9.202) 16.405 28.907 ( -0.687 3.685 10.431) 11.084 29.243 ( -7.600 0.071 1.535) 7.754 30.128 ( 7.114 0.714 3.192) 7.830 30.196 ( -1.986 2.108 0.458) 2.933 30.534 ( 4.372 -0.864 4.996) 6.695 33.010 ( -4.207 3.630 -21.765) 22.463 ======================= Grid point 103 (48/186) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -10.627 -0.000 42.267) 43.582 2.875 ( 3.494 0.000 2.197) 4.127 3.386 ( -5.264 -0.000 -3.189) 6.154 3.731 ( -19.309 -0.000 28.673) 34.568 3.747 ( -1.736 -0.000 8.279) 8.459 4.030 ( -4.271 -0.000 12.950) 13.636 4.217 ( -4.653 -0.000 25.373) 25.796 4.859 ( -3.569 -0.000 10.309) 10.909 5.276 ( 1.676 0.000 -2.618) 3.109 5.324 ( -3.702 -0.000 0.804) 3.789 5.502 ( 1.606 0.000 -9.601) 9.734 5.683 ( 2.305 0.000 3.386) 4.096 5.970 ( 5.548 0.000 -8.524) 10.170 5.986 ( -1.816 -0.000 7.749) 7.959 6.320 ( -9.319 -0.000 -6.518) 11.373 6.684 ( 8.418 0.000 8.179) 11.737 7.317 ( -0.182 -0.000 0.370) 0.412 7.619 ( -6.045 -0.000 -2.598) 6.580 7.904 ( 2.646 0.000 -2.590) 3.702 8.145 ( 5.660 0.000 -23.781) 24.445 8.626 ( 2.001 0.000 0.967) 2.222 8.752 ( 11.895 0.000 7.142) 13.875 8.765 ( -3.598 -0.000 -3.910) 5.314 9.068 ( 11.571 0.000 -9.803) 15.165 9.320 ( -4.787 -0.000 13.014) 13.866 9.882 ( -12.821 -0.000 12.452) 17.873 10.020 ( -4.680 -0.000 -8.777) 9.947 10.205 ( 7.125 0.000 -13.170) 14.974 10.379 ( 4.623 0.000 5.328) 7.054 10.764 ( -0.575 -0.000 -2.416) 2.484 10.916 ( 8.907 0.000 0.989) 8.962 10.971 ( 0.092 0.000 -9.051) 9.052 11.662 ( -2.638 -0.000 -2.930) 3.943 12.118 ( -6.048 -0.000 21.362) 22.201 12.535 ( -9.774 -0.000 -14.525) 17.507 13.192 ( 8.918 0.000 10.426) 13.720 13.355 ( -4.299 -0.000 13.858) 14.510 13.988 ( -0.159 -0.000 4.336) 4.339 14.315 ( -0.314 -0.000 -1.351) 1.387 14.847 ( 2.465 0.000 -2.666) 3.631 15.166 ( 2.313 0.000 -0.610) 2.392 15.345 ( -1.926 -0.000 6.238) 6.529 15.732 ( -3.704 -0.000 8.496) 9.268 16.879 ( 3.212 0.000 -20.319) 20.571 19.330 ( -2.326 -0.000 -13.095) 13.300 19.555 ( 3.557 0.000 3.358) 4.892 21.464 ( 4.757 0.000 -14.942) 15.681 21.599 ( -1.746 -0.000 -0.497) 1.815 25.640 ( -4.646 -0.000 4.609) 6.544 25.765 ( -1.956 -0.000 3.808) 4.281 26.745 ( 9.542 0.000 -7.474) 12.120 27.813 ( 0.354 0.000 -8.691) 8.698 28.111 ( -6.668 -0.000 12.426) 14.102 28.563 ( 0.914 0.000 0.138) 0.924 29.165 ( -1.284 -0.000 10.991) 11.065 29.375 ( -1.633 -0.000 4.995) 5.255 29.662 ( 2.252 0.000 8.955) 9.234 30.130 ( -2.079 -0.000 5.847) 6.206 30.782 ( 1.516 0.000 -7.915) 8.059 33.255 ( 2.472 0.000 -14.316) 14.528 ======================= Grid point 104 (49/186) ======================= q-point: (-0.38 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -5.411 0.732 37.895) 38.286 2.978 ( -0.219 -8.318 6.109) 10.323 3.257 ( -7.074 2.731 -6.195) 9.792 3.567 ( -22.994 -0.329 24.248) 33.419 3.754 ( -2.109 -0.050 5.560) 5.947 3.982 ( -5.122 4.290 11.319) 13.143 4.230 ( -6.960 4.480 24.137) 25.517 4.717 ( -9.326 9.708 10.986) 17.376 5.090 ( -6.454 9.590 -4.414) 12.373 5.407 ( -3.332 -6.093 1.529) 7.111 5.486 ( -2.008 1.299 -2.273) 3.299 5.723 ( 3.292 2.666 0.752) 4.302 5.886 ( -1.083 5.886 0.747) 6.031 6.093 ( 3.061 -1.655 -3.135) 4.684 6.235 ( -1.022 -6.080 -1.140) 6.270 6.814 ( 5.341 0.558 8.248) 9.842 7.208 ( -6.219 6.578 0.963) 9.103 7.520 ( -5.720 0.143 -4.966) 7.576 7.889 ( -1.688 3.414 -4.844) 6.162 8.095 ( 7.244 6.673 -14.691) 17.687 8.539 ( -5.623 5.411 -6.699) 10.285 8.709 ( -0.934 2.154 -0.505) 2.401 8.853 ( -2.096 -5.624 5.777) 8.330 9.142 ( 5.419 6.434 -1.698) 8.582 9.288 ( -1.899 6.646 11.502) 13.419 9.887 ( 8.763 -0.769 0.743) 8.828 10.005 ( -3.033 -7.498 1.397) 8.208 10.270 ( 0.868 -6.159 -10.190) 11.938 10.446 ( 0.345 -5.103 -0.341) 5.126 10.767 ( 3.834 0.369 -0.266) 3.861 10.883 ( 1.366 6.517 -5.177) 8.434 11.019 ( 0.808 -0.839 -4.574) 4.720 11.558 ( -10.143 2.851 -0.944) 10.578 12.060 ( -1.990 10.766 14.539) 18.200 12.470 ( 0.624 -7.431 -9.743) 12.270 13.345 ( 0.995 -0.672 10.254) 10.324 13.374 ( 2.933 -2.666 11.579) 12.239 13.988 ( -0.987 1.247 4.470) 4.745 14.431 ( 0.716 -16.073 0.381) 16.093 14.836 ( -2.841 -0.106 -1.245) 3.104 15.259 ( 6.075 -5.315 0.413) 8.082 15.337 ( 3.985 6.660 7.404) 10.726 15.796 ( 1.113 -6.313 7.691) 10.012 16.818 ( -0.278 -0.939 -21.917) 21.938 19.179 ( -6.069 6.556 -11.110) 14.256 19.598 ( 3.729 2.105 0.257) 4.290 21.455 ( 3.713 0.163 -16.117) 16.540 21.588 ( -0.654 -1.021 -0.263) 1.240 25.597 ( -4.568 -0.447 2.594) 5.273 25.770 ( -1.190 -0.974 3.957) 4.246 26.877 ( 17.882 2.139 -4.540) 18.573 27.778 ( -0.068 0.105 -10.145) 10.146 28.074 ( -5.172 0.604 10.834) 12.021 28.611 ( 1.121 -3.527 0.605) 3.750 29.134 ( -5.307 3.992 12.005) 13.719 29.382 ( -0.508 2.773 6.343) 6.941 29.776 ( 3.714 -7.217 11.402) 13.996 30.137 ( -2.021 -1.559 5.099) 5.702 30.727 ( -0.506 4.456 -7.430) 8.679 33.185 ( -3.415 0.378 -16.458) 16.813 ======================= Grid point 105 (50/186) ======================= q-point: (-0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( -3.526 -1.931 27.789) 28.078 3.011 ( -14.715 -3.261 -2.029) 15.208 3.217 ( 0.682 -6.971 6.072) 9.270 3.356 ( -20.981 1.801 16.487) 26.745 3.738 ( -3.021 -0.234 3.466) 4.604 3.897 ( -3.811 6.951 14.910) 16.886 4.031 ( -6.704 20.596 15.164) 26.441 4.547 ( -18.457 -3.027 11.199) 21.800 4.873 ( -3.583 9.677 1.002) 10.368 5.329 ( -4.946 7.850 -0.673) 9.303 5.478 ( -5.527 -7.545 2.753) 9.750 5.628 ( 0.922 13.205 1.395) 13.311 5.848 ( -3.344 -3.474 1.014) 4.928 6.076 ( 5.131 4.792 -1.265) 7.134 6.454 ( 7.094 -11.520 2.336) 13.730 6.788 ( -4.347 9.693 11.285) 15.499 7.104 ( -3.620 -1.115 -0.305) 3.800 7.455 ( -4.469 -3.903 -7.355) 9.449 7.707 ( -3.357 11.447 -5.681) 13.213 8.098 ( 9.935 3.630 -4.657) 11.557 8.352 ( -5.695 5.889 -7.099) 10.841 8.653 ( -6.594 -1.469 -2.930) 7.364 8.939 ( 3.410 -1.714 2.627) 4.634 9.041 ( 3.187 9.773 -7.909) 12.970 9.194 ( -3.940 8.501 12.504) 15.625 9.923 ( -1.460 4.615 3.638) 6.055 10.183 ( 4.245 -12.724 4.957) 14.300 10.299 ( 0.124 -3.525 -8.915) 9.588 10.563 ( 4.086 -6.854 -2.597) 8.392 10.712 ( -1.076 12.751 -3.109) 13.168 10.891 ( 1.561 -6.271 1.864) 6.726 10.945 ( -4.209 0.437 -8.895) 9.850 11.383 ( -8.429 1.534 -0.215) 8.570 11.903 ( -2.037 13.966 7.589) 16.024 12.632 ( 10.158 -7.587 -6.140) 14.087 13.374 ( -3.715 -2.795 8.555) 9.737 13.509 ( 3.296 -1.774 9.810) 10.500 13.966 ( -2.554 0.808 3.410) 4.336 14.723 ( 0.363 -17.855 3.324) 18.166 14.787 ( -5.231 -4.459 -1.855) 7.120 15.330 ( 6.343 8.077 8.979) 13.642 15.460 ( 11.529 -6.924 2.140) 13.617 15.944 ( 1.665 -6.000 5.667) 8.419 16.760 ( 0.810 -4.720 -20.435) 20.989 18.913 ( -7.877 13.118 -8.920) 17.711 19.597 ( 2.284 2.465 -2.858) 4.411 21.435 ( 2.863 0.040 -13.551) 13.850 21.604 ( 0.827 -1.621 -2.531) 3.117 25.563 ( -3.353 -0.828 1.857) 3.921 25.787 ( -1.497 -1.503 4.389) 4.875 27.115 ( 24.506 -0.263 -4.477) 24.913 27.724 ( -0.861 0.670 -12.009) 12.058 28.058 ( -3.584 -0.428 10.443) 11.050 28.649 ( -2.623 -0.958 2.101) 3.495 29.043 ( -6.061 5.189 14.088) 16.191 29.313 ( -4.110 5.453 5.645) 8.860 30.030 ( 6.663 -8.482 12.284) 16.347 30.174 ( 0.968 -4.611 2.925) 5.546 30.596 ( -3.187 6.527 -4.796) 8.704 33.043 ( -6.755 -0.134 -19.135) 20.293 ======================= Grid point 106 (51/186) ======================= q-point: (-0.12 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -5.994 -6.947 15.757) 18.234 2.775 ( -23.083 -1.607 -4.749) 23.621 3.144 ( -5.869 8.907 6.117) 12.297 3.356 ( -8.013 -9.766 21.996) 25.365 3.709 ( -1.318 5.695 2.149) 6.228 3.748 ( -4.499 8.884 16.334) 19.131 3.885 ( 1.966 3.478 13.898) 14.461 4.340 ( -20.935 -1.035 1.229) 20.996 4.785 ( 3.074 6.410 9.413) 11.796 5.176 ( -1.589 6.917 3.830) 8.065 5.483 ( -5.431 4.315 6.844) 9.745 5.520 ( -3.426 -5.207 -0.140) 6.235 5.882 ( 0.968 -2.313 1.466) 2.904 6.099 ( 8.074 5.542 3.097) 10.270 6.569 ( -6.962 5.065 8.968) 12.432 6.690 ( -1.239 -4.685 -1.165) 4.984 7.083 ( -0.407 0.345 -0.469) 0.711 7.411 ( -6.328 -2.469 -8.901) 11.197 7.579 ( 4.933 3.296 -1.985) 6.256 8.167 ( -1.416 -3.197 -7.135) 7.946 8.204 ( 7.549 10.782 -0.004) 13.162 8.581 ( -8.170 -5.316 -3.049) 10.213 8.843 ( -0.268 11.516 -7.927) 13.983 9.020 ( 2.159 6.298 -0.966) 6.728 9.113 ( 1.853 -0.337 5.816) 6.114 9.819 ( -10.559 3.253 11.921) 16.254 10.274 ( 5.405 6.236 -14.972) 17.096 10.422 ( -0.533 -9.849 4.820) 10.978 10.500 ( -3.780 2.380 0.617) 4.509 10.680 ( 7.535 3.722 -4.108) 9.355 10.811 ( -2.329 0.457 -4.370) 4.973 11.080 ( 1.627 -10.160 2.470) 10.582 11.329 ( -2.898 -4.011 -2.197) 5.414 11.714 ( -4.179 10.060 5.508) 12.206 12.830 ( 13.163 -2.074 -5.567) 14.441 13.380 ( -3.399 -0.115 4.412) 5.571 13.574 ( -1.814 -0.103 11.775) 11.915 13.931 ( -4.082 -0.897 0.346) 4.194 14.717 ( -3.092 0.841 0.517) 3.245 14.977 ( -5.930 -15.983 1.544) 17.117 15.333 ( 4.858 6.245 7.402) 10.835 15.750 ( 13.102 -7.207 4.588) 15.642 15.985 ( -2.032 1.118 -0.248) 2.332 16.868 ( 8.626 -10.782 -13.256) 19.141 18.581 ( -7.018 14.355 -5.723) 16.973 19.577 ( 1.130 0.906 -5.357) 5.550 21.424 ( 3.093 0.034 -10.271) 10.727 21.629 ( 1.402 -1.707 -4.339) 4.869 25.553 ( -1.691 -1.125 2.515) 3.233 25.809 ( -1.847 -1.962 5.413) 6.047 27.416 ( 19.652 -2.363 -15.553) 25.173 27.654 ( 1.871 0.740 -9.607) 9.815 28.083 ( -1.993 -2.167 12.441) 12.784 28.560 ( -10.694 4.693 10.404) 15.640 28.977 ( -3.192 3.187 12.582) 13.366 29.207 ( -3.963 3.842 3.367) 6.465 30.154 ( -0.161 -3.555 6.153) 7.108 30.262 ( 1.195 5.705 -1.998) 6.161 30.550 ( 1.879 -5.272 5.037) 7.530 32.901 ( -3.074 -1.232 -20.145) 20.416 ======================= Grid point 112 (52/186) ======================= q-point: (-0.38 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -7.331 -0.000 30.337) 31.210 2.849 ( -14.852 -0.000 4.064) 15.398 3.184 ( -1.706 -0.000 -4.984) 5.268 3.340 ( -24.285 -0.000 21.377) 32.354 3.755 ( -2.215 -0.000 5.693) 6.109 3.983 ( -4.864 -0.000 9.168) 10.378 4.240 ( -10.289 -0.000 30.566) 32.251 4.682 ( -20.068 -0.000 5.518) 20.813 5.134 ( -10.373 -0.000 2.660) 10.708 5.173 ( -3.619 -0.000 2.304) 4.290 5.447 ( -8.748 -0.000 -2.727) 9.163 5.741 ( 0.568 0.000 2.326) 2.394 6.026 ( 3.186 0.000 -6.034) 6.824 6.098 ( 6.168 0.000 -2.012) 6.488 6.215 ( 7.285 0.000 3.604) 8.128 6.916 ( 4.518 0.000 7.908) 9.108 7.079 ( -16.024 -0.000 -6.114) 17.151 7.387 ( -9.875 -0.000 -6.025) 11.568 7.891 ( -1.086 -0.000 -3.297) 3.471 8.205 ( 9.432 0.000 -15.097) 17.801 8.479 ( -8.143 -0.000 -3.266) 8.773 8.695 ( -12.118 -0.000 13.837) 18.393 8.742 ( 0.783 0.000 -4.395) 4.464 9.200 ( -3.521 -0.000 5.606) 6.620 9.375 ( -0.249 -0.000 10.044) 10.047 9.959 ( 3.266 0.000 -1.682) 3.673 10.059 ( 15.101 0.000 -2.843) 15.366 10.179 ( -0.465 -0.000 -6.098) 6.116 10.375 ( -2.714 -0.000 -2.838) 3.927 10.825 ( 5.223 0.000 -1.072) 5.332 10.926 ( 3.224 0.000 -12.133) 12.554 10.958 ( -8.449 -0.000 -1.314) 8.550 11.439 ( -12.386 -0.000 0.220) 12.388 12.174 ( 0.069 0.000 3.162) 3.162 12.478 ( 13.318 0.000 -1.727) 13.430 13.364 ( -5.436 -0.000 23.409) 24.032 13.474 ( 6.466 0.000 7.053) 9.569 14.009 ( -0.347 -0.000 4.415) 4.428 14.311 ( 0.289 0.000 -1.217) 1.251 14.786 ( -4.439 -0.000 1.214) 4.602 15.355 ( 12.982 0.000 3.649) 13.485 15.496 ( 8.041 0.000 7.299) 10.860 15.799 ( 3.196 0.000 4.199) 5.277 16.697 ( -3.412 -0.000 -22.744) 22.998 19.118 ( -5.454 -0.000 -7.687) 9.425 19.636 ( 0.832 0.000 -2.902) 3.019 21.428 ( 2.012 0.000 -15.353) 15.484 21.582 ( 1.554 0.000 -2.666) 3.086 25.551 ( -3.197 -0.000 1.249) 3.433 25.764 ( -1.152 -0.000 3.581) 3.762 27.123 ( 21.820 0.000 -6.047) 22.642 27.733 ( -0.325 -0.000 -11.836) 11.840 28.052 ( -5.074 -0.000 10.643) 11.790 28.626 ( 3.362 0.000 1.435) 3.656 29.123 ( -6.907 -0.000 10.649) 12.692 29.495 ( 4.674 0.000 12.336) 13.192 29.758 ( -1.294 -0.000 12.902) 12.966 30.120 ( -2.320 -0.000 5.167) 5.664 30.714 ( -2.061 -0.000 -7.863) 8.128 33.037 ( -9.113 -0.000 -18.808) 20.900 ======================= Grid point 113 (53/186) ======================= q-point: (-0.25 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -16.890 -2.479 14.714) 22.537 2.641 ( -28.650 -6.886 1.797) 29.520 3.170 ( -14.957 -2.309 19.610) 24.771 3.173 ( -1.755 -0.843 -1.567) 2.499 3.742 ( -1.630 1.187 5.366) 5.732 3.958 ( -3.952 1.121 13.362) 13.979 4.203 ( -13.202 7.968 22.762) 27.493 4.309 ( -27.462 0.927 12.520) 30.196 4.923 ( -7.209 8.096 3.830) 11.497 5.222 ( -6.628 -4.291 3.803) 8.764 5.355 ( -5.836 -3.022 1.800) 6.814 5.763 ( 0.557 -0.489 0.268) 0.788 5.914 ( 2.938 13.242 -3.847) 14.099 6.173 ( 5.176 -0.262 2.151) 5.611 6.433 ( 10.923 -7.884 -0.010) 13.471 6.781 ( -17.115 5.002 -1.369) 17.883 7.031 ( 0.238 -4.738 4.164) 6.312 7.248 ( -11.311 -3.396 -7.183) 13.823 7.811 ( -1.444 7.537 -0.751) 7.711 8.203 ( 2.685 2.744 -18.593) 18.985 8.375 ( 0.408 2.178 1.773) 2.838 8.531 ( -11.421 4.162 5.536) 13.357 8.847 ( -1.641 -11.293 2.407) 11.662 9.164 ( -0.157 2.826 0.946) 2.985 9.319 ( -2.146 11.666 5.205) 12.953 9.893 ( -9.596 4.434 -1.241) 10.644 10.172 ( -0.215 -7.770 -2.214) 8.082 10.277 ( 14.787 0.644 -2.005) 14.937 10.443 ( 1.308 -11.175 -2.180) 11.461 10.775 ( -10.410 5.359 -0.508) 11.719 10.905 ( 6.593 -1.444 -4.311) 8.009 10.907 ( 2.697 2.709 -6.080) 7.182 11.282 ( -9.682 0.008 -0.899) 9.723 12.066 ( -2.672 11.145 -6.188) 13.024 12.732 ( 19.059 -3.966 0.134) 19.468 13.379 ( -4.024 3.059 24.744) 25.255 13.579 ( 3.796 -1.139 8.823) 9.672 13.998 ( 0.045 3.745 3.104) 4.864 14.437 ( -2.449 -17.300 1.136) 17.510 14.749 ( -1.541 0.615 3.464) 3.841 15.546 ( 9.759 4.330 -0.678) 10.698 15.614 ( 15.655 1.243 12.809) 20.266 15.914 ( 3.953 -6.218 2.446) 7.764 16.593 ( -2.441 -5.908 -20.903) 21.858 18.963 ( -5.222 9.444 -5.197) 11.978 19.605 ( -1.810 0.777 -5.223) 5.582 21.399 ( 1.390 -1.188 -12.703) 12.834 21.600 ( 3.073 -0.412 -5.447) 6.267 25.529 ( -1.444 -0.501 1.156) 1.917 25.767 ( -1.505 -0.878 3.480) 3.892 27.374 ( 21.360 -0.613 -11.770) 24.396 27.678 ( 0.367 0.573 -11.618) 11.638 28.040 ( -4.029 -0.834 10.434) 11.215 28.665 ( 1.859 2.069 2.917) 4.031 29.064 ( -6.572 2.180 12.787) 14.541 29.448 ( -1.199 14.310 13.083) 19.426 29.984 ( 4.106 -16.086 14.911) 22.315 30.127 ( -0.945 -3.697 4.008) 5.534 30.606 ( -4.665 5.148 -6.793) 9.716 32.830 ( -11.459 -2.471 -22.121) 25.035 ======================= Grid point 114 (54/186) ======================= q-point: (-0.12 -0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -24.636 -9.283 -4.310) 26.678 2.338 ( -33.929 -10.738 9.586) 36.856 3.084 ( -7.157 -0.662 -3.847) 8.153 3.212 ( -7.890 -9.431 14.894) 19.314 3.710 ( -7.737 2.134 14.054) 16.184 3.864 ( -18.569 2.311 14.896) 23.917 3.991 ( -4.823 0.168 15.683) 16.408 4.184 ( -2.947 7.792 15.063) 17.213 4.824 ( -5.037 -2.204 11.425) 12.679 5.200 ( -0.795 1.143 6.991) 7.128 5.349 ( -7.347 -5.886 -0.497) 9.427 5.653 ( 0.674 14.788 -5.107) 15.660 5.874 ( 2.433 -2.909 1.330) 4.019 6.261 ( 6.461 1.718 6.006) 8.987 6.501 ( -16.231 3.660 2.535) 16.831 6.632 ( 6.035 -4.734 -3.490) 8.427 7.100 ( 1.098 -0.106 2.931) 3.132 7.159 ( -11.259 -10.944 -6.965) 17.177 7.688 ( 0.311 7.503 0.899) 7.563 8.089 ( -2.312 1.189 -17.899) 18.086 8.347 ( -13.678 1.815 1.972) 13.938 8.452 ( 10.697 -0.026 0.174) 10.698 8.987 ( -4.854 10.470 -5.938) 12.978 9.011 ( 0.167 -1.279 -0.734) 1.484 9.153 ( -2.513 2.627 5.702) 6.762 9.706 ( -14.447 -0.188 4.948) 15.272 10.237 ( -1.426 -4.344 -4.348) 6.309 10.426 ( 9.138 -0.008 -1.657) 9.287 10.488 ( -6.982 4.125 1.303) 8.214 10.746 ( 3.449 -9.593 3.842) 10.894 10.851 ( 7.382 6.820 -9.044) 13.521 11.034 ( 5.703 -4.915 0.892) 7.581 11.215 ( -4.365 -4.249 -2.715) 6.669 11.809 ( -6.070 11.821 -6.439) 14.767 13.002 ( 17.362 -1.305 -2.667) 17.614 13.376 ( -2.450 3.756 17.826) 18.382 13.670 ( 3.609 1.304 13.631) 14.161 13.925 ( -1.301 6.090 -1.807) 6.484 14.607 ( -6.876 -12.187 1.306) 14.054 14.794 ( 2.391 -3.747 7.247) 8.501 15.543 ( 7.425 7.885 3.287) 11.318 15.872 ( 12.127 -2.230 7.261) 14.309 15.981 ( 0.290 1.601 -4.143) 4.451 16.741 ( 9.794 -17.520 -10.632) 22.714 18.694 ( -5.334 15.521 -3.097) 16.702 19.541 ( -3.526 -0.164 -6.503) 7.399 21.401 ( 1.951 -2.253 -9.709) 10.157 21.623 ( 3.413 -0.391 -6.687) 7.518 25.540 ( 0.462 -0.987 2.387) 2.624 25.778 ( -1.892 -1.714 4.035) 4.775 27.437 ( -0.978 2.436 -26.832) 26.960 27.740 ( 14.718 -1.115 -5.814) 15.864 28.062 ( -2.837 -2.677 10.824) 11.505 28.602 ( -4.621 8.602 12.230) 15.650 29.015 ( -4.983 2.249 14.910) 15.880 29.279 ( -2.433 9.813 7.509) 12.593 30.112 ( -2.270 -3.624 6.303) 7.617 30.319 ( -0.077 1.578 0.024) 1.580 30.487 ( -0.946 -6.596 3.967) 7.755 32.717 ( -2.167 -9.429 -23.040) 24.989 ======================= Grid point 121 (55/186) ======================= q-point: (-0.25 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -32.668 -0.000 11.597) 34.666 2.194 ( -34.620 -0.000 -0.222) 34.621 3.003 ( -20.729 -0.000 3.509) 21.024 3.133 ( -4.579 -0.000 -0.271) 4.587 3.762 ( 0.447 0.000 3.130) 3.162 3.846 ( -37.433 -0.000 28.529) 47.065 3.989 ( -8.132 -0.000 13.300) 15.590 4.244 ( -6.028 -0.000 27.895) 28.539 4.956 ( -5.414 -0.000 9.228) 10.699 5.139 ( -2.872 -0.000 3.517) 4.541 5.276 ( -4.563 -0.000 3.199) 5.572 5.759 ( 0.042 0.000 0.526) 0.527 5.989 ( -3.636 -0.000 -10.240) 10.866 6.246 ( 5.386 0.000 4.414) 6.964 6.538 ( 14.206 0.000 -2.548) 14.433 6.559 ( -17.451 -0.000 -3.964) 17.896 6.951 ( -11.200 -0.000 0.897) 11.236 7.118 ( -1.954 -0.000 0.579) 2.038 7.855 ( 0.453 0.000 -1.322) 1.398 8.099 ( -6.079 -0.000 -21.887) 22.716 8.390 ( 1.049 0.000 0.612) 1.215 8.501 ( -13.895 -0.000 19.102) 23.621 8.720 ( 1.624 0.000 -5.431) 5.668 9.191 ( 0.900 0.000 4.491) 4.580 9.413 ( -0.884 -0.000 2.163) 2.336 9.839 ( -12.051 -0.000 -14.393) 18.772 10.065 ( 2.754 0.000 2.724) 3.874 10.267 ( -3.189 -0.000 -7.789) 8.416 10.528 ( 14.419 0.000 -1.186) 14.468 10.681 ( -8.910 -0.000 3.952) 9.747 10.954 ( 4.788 0.000 -5.999) 7.675 10.967 ( 5.310 0.000 1.100) 5.423 11.149 ( -8.495 -0.000 -2.372) 8.820 12.037 ( -6.328 -0.000 -20.795) 21.737 12.966 ( 20.307 0.000 -0.802) 20.323 13.527 ( 0.016 0.000 38.885) 38.885 13.639 ( 3.189 0.000 7.617) 8.257 14.077 ( 0.874 0.000 14.291) 14.318 14.259 ( -3.525 -0.000 -1.402) 3.793 14.777 ( 2.481 0.000 5.359) 5.906 15.715 ( 11.273 0.000 -0.497) 11.284 15.875 ( 0.428 0.000 0.878) 0.977 15.953 ( 21.954 0.000 14.251) 26.174 16.399 ( -4.973 -0.000 -22.353) 22.899 18.972 ( -2.691 -0.000 -2.629) 3.762 19.541 ( -5.032 -0.000 -5.963) 7.803 21.354 ( 0.891 0.000 -11.320) 11.355 21.619 ( 4.468 0.000 -8.175) 9.316 25.524 ( 0.488 0.000 1.465) 1.544 25.752 ( -1.889 -0.000 2.916) 3.475 27.469 ( 3.842 0.000 -26.763) 27.037 27.727 ( 13.610 0.000 -4.228) 14.252 28.025 ( -3.374 -0.000 9.758) 10.325 28.738 ( 3.975 0.000 2.221) 4.553 29.055 ( -5.066 -0.000 14.165) 15.044 29.788 ( 7.272 0.000 22.878) 24.006 29.815 ( -2.220 -0.000 13.111) 13.298 30.090 ( -2.779 -0.000 4.190) 5.028 30.551 ( -5.946 -0.000 -6.917) 9.121 32.523 ( -16.370 -0.000 -28.242) 32.644 ======================= Grid point 122 (56/186) ======================= q-point: (-0.12 -0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -40.378 0.109 -3.145) 40.500 1.755 ( -35.139 -13.872 15.876) 40.979 2.683 ( -40.058 -18.409 -5.849) 44.472 3.059 ( -7.195 -0.785 2.108) 7.538 3.612 ( -18.104 1.055 33.396) 38.002 3.781 ( -0.268 0.370 4.939) 4.960 3.979 ( -8.986 -0.441 24.906) 26.481 4.318 ( 0.682 -1.238 22.411) 22.455 4.865 ( -1.241 8.050 10.891) 13.600 5.157 ( -8.027 -7.225 2.408) 11.065 5.247 ( -0.420 1.488 3.078) 3.445 5.755 ( -2.340 4.572 -8.126) 9.613 5.834 ( -4.089 -2.598 -6.229) 7.891 6.342 ( -1.338 0.758 5.435) 5.648 6.378 ( -3.773 -1.536 3.515) 5.380 6.680 ( 4.819 0.831 -0.674) 4.936 6.846 ( -7.139 -7.696 -9.212) 13.966 7.125 ( -0.091 0.580 5.364) 5.396 7.807 ( 0.943 7.994 0.403) 8.059 7.948 ( -5.054 -2.108 -20.987) 21.689 8.246 ( -11.022 6.631 5.752) 14.091 8.573 ( 5.560 -6.967 3.985) 9.764 8.784 ( -3.164 -10.087 0.480) 10.583 9.180 ( -3.375 18.338 -12.505) 22.451 9.227 ( -3.306 11.131 3.669) 12.177 9.534 ( -12.583 0.052 -2.461) 12.821 10.168 ( 0.463 -2.008 -6.850) 7.153 10.308 ( -7.138 -11.791 2.912) 14.087 10.637 ( 10.539 4.776 -4.033) 12.254 10.666 ( 1.729 -8.542 3.776) 9.498 10.956 ( 3.972 3.164 -12.911) 13.874 11.062 ( 3.297 -2.106 7.777) 8.705 11.097 ( -1.595 -4.661 -1.023) 5.031 11.786 ( -10.403 5.999 -19.863) 23.211 13.171 ( 12.825 0.189 -6.067) 14.188 13.574 ( 2.886 11.013 21.254) 24.111 13.788 ( 7.576 -2.107 15.146) 17.065 14.066 ( 1.719 10.241 13.711) 17.200 14.383 ( -1.435 -13.920 16.526) 21.655 14.851 ( 4.263 -0.569 7.189) 8.378 15.743 ( 6.049 7.513 -0.358) 9.652 15.944 ( 2.944 -4.533 2.705) 6.044 16.089 ( 5.464 10.161 -6.313) 13.152 16.569 ( 14.355 -23.080 -3.446) 27.398 18.837 ( -2.895 13.448 -1.945) 13.893 19.448 ( -6.256 -0.340 -4.669) 7.813 21.347 ( 1.561 -2.837 -9.158) 9.714 21.643 ( 4.798 0.072 -9.417) 10.569 25.556 ( 2.368 -0.839 3.060) 3.959 25.746 ( -2.190 -1.306 3.071) 3.992 27.298 ( -8.467 3.323 -33.574) 34.785 27.898 ( 13.322 0.639 -4.985) 14.238 28.041 ( -1.059 -1.315 8.036) 8.212 28.742 ( 0.858 7.677 7.247) 10.592 29.052 ( -3.768 3.032 18.927) 19.535 29.504 ( -3.183 23.110 13.982) 27.197 30.054 ( -3.369 -2.770 6.501) 7.829 30.277 ( 2.290 -13.255 9.103) 16.242 30.406 ( -5.911 1.788 -2.653) 6.721 32.360 ( -4.954 -22.220 -31.740) 39.060 ======================= Grid point 130 (57/186) ======================= q-point: (-0.12 -0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -42.388 -0.000 6.938) 42.952 1.262 ( -37.669 -0.000 22.066) 43.657 1.820 ( -57.196 -0.000 15.082) 59.151 2.974 ( -6.398 -0.000 1.479) 6.567 3.595 ( -8.240 -0.000 23.091) 24.517 3.805 ( 0.656 0.000 3.369) 3.432 3.958 ( -12.369 -0.000 35.011) 37.131 4.397 ( 0.074 0.000 21.774) 21.774 4.962 ( -9.559 -0.000 1.017) 9.612 5.003 ( -0.927 -0.000 11.685) 11.722 5.260 ( -0.458 -0.000 -1.221) 1.304 5.618 ( -10.706 -0.000 -16.009) 19.260 5.751 ( -0.406 -0.000 -1.815) 1.860 6.307 ( -4.799 -0.000 3.321) 5.836 6.413 ( 4.900 0.000 6.371) 8.037 6.563 ( -12.373 -0.000 -0.376) 12.378 6.900 ( 14.845 0.000 -8.102) 16.912 7.163 ( 1.124 0.000 9.075) 9.144 7.775 ( -3.153 -0.000 -22.129) 22.352 7.924 ( 4.106 0.000 2.939) 5.049 8.285 ( -12.877 -0.000 14.483) 19.380 8.370 ( -0.885 -0.000 -3.830) 3.931 8.789 ( 5.924 0.000 -2.409) 6.395 9.247 ( -19.034 -0.000 -33.849) 38.833 9.308 ( -2.037 -0.000 0.052) 2.038 9.346 ( -4.266 -0.000 -2.838) 5.124 10.081 ( -4.694 -0.000 4.492) 6.498 10.129 ( 0.712 0.000 -10.560) 10.584 10.601 ( -2.455 -0.000 5.415) 5.945 10.763 ( 7.018 0.000 -6.986) 9.902 10.911 ( -2.709 -0.000 -17.405) 17.614 11.092 ( 2.733 0.000 2.951) 4.022 11.128 ( 3.121 0.000 14.766) 15.093 11.568 ( -15.737 -0.000 -15.482) 22.076 13.238 ( 5.496 0.000 -20.470) 21.195 13.849 ( 6.169 0.000 17.184) 18.258 13.906 ( 9.807 0.000 1.290) 9.891 14.205 ( 0.269 0.000 2.754) 2.767 14.592 ( 26.549 0.000 85.923) 89.932 14.919 ( 2.989 0.000 5.644) 6.387 15.839 ( -2.942 -0.000 1.667) 3.381 15.962 ( 7.886 0.000 2.878) 8.394 16.151 ( -0.343 -0.000 -20.107) 20.110 16.604 ( 18.167 0.000 9.052) 20.297 18.924 ( 0.185 0.000 -6.416) 6.418 19.366 ( -4.724 -0.000 1.975) 5.121 21.306 ( 1.677 0.000 -8.710) 8.870 21.666 ( 5.016 0.000 -11.061) 12.145 25.600 ( 3.482 0.000 4.533) 5.716 25.714 ( -2.898 -0.000 2.946) 4.133 27.011 ( -19.619 -0.000 -42.033) 46.386 27.985 ( -0.019 -0.000 4.112) 4.112 28.123 ( 11.496 0.000 -0.758) 11.521 28.837 ( 1.925 0.000 2.191) 2.917 29.196 ( 9.410 0.000 20.880) 22.902 29.834 ( -3.480 -0.000 6.905) 7.732 30.067 ( -1.327 -0.000 4.570) 4.759 30.143 ( 1.460 0.000 22.641) 22.688 30.343 ( -5.573 -0.000 -3.973) 6.844 31.770 ( -21.081 -0.000 -40.715) 45.849 ======================= Grid point 131 (58/186) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 7.741 0.000 31.626) 32.559 1.608 ( 16.359 0.000 36.273) 39.791 2.991 ( -1.104 -0.000 6.570) 6.662 3.046 ( 10.680 0.000 50.414) 51.533 3.450 ( -6.625 -0.000 8.372) 10.677 4.012 ( 0.257 0.000 8.746) 8.750 4.560 ( -15.371 -0.000 -12.613) 19.884 4.623 ( -3.748 -0.000 5.104) 6.333 4.818 ( -19.766 -0.000 30.846) 36.636 5.142 ( -8.990 -0.000 30.057) 31.373 5.310 ( -3.008 -0.000 26.583) 26.753 5.586 ( 1.822 0.000 -5.316) 5.619 5.761 ( 10.696 0.000 2.849) 11.069 6.077 ( -7.238 -0.000 -3.677) 8.118 6.179 ( -3.869 -0.000 -4.596) 6.008 6.816 ( 6.183 0.000 -6.383) 8.886 6.937 ( -4.160 -0.000 4.579) 6.187 7.293 ( -5.991 -0.000 -1.530) 6.183 7.408 ( 6.143 0.000 -6.659) 9.059 8.015 ( 4.543 0.000 -10.189) 11.156 8.143 ( -15.269 -0.000 7.623) 17.066 8.253 ( 8.976 0.000 1.545) 9.108 8.396 ( 8.335 0.000 3.779) 9.152 8.779 ( 4.192 0.000 -18.693) 19.158 9.072 ( 0.408 0.000 -1.198) 1.265 9.454 ( -3.813 -0.000 0.771) 3.890 9.843 ( 4.834 0.000 -10.408) 11.476 10.167 ( -1.933 -0.000 5.020) 5.380 10.548 ( 2.918 0.000 -11.816) 12.171 10.594 ( -5.239 -0.000 0.661) 5.281 10.873 ( 7.137 0.000 5.696) 9.131 11.134 ( -0.993 -0.000 -2.163) 2.380 11.514 ( -2.222 -0.000 8.149) 8.447 11.801 ( 4.763 0.000 22.034) 22.543 12.610 ( -3.173 -0.000 -17.926) 18.205 13.842 ( 4.993 0.000 -9.363) 10.612 14.147 ( 4.599 0.000 -1.783) 4.932 14.436 ( -4.396 -0.000 4.691) 6.429 14.903 ( -5.023 -0.000 -7.193) 8.773 15.473 ( -6.726 -0.000 -19.557) 20.682 15.721 ( 9.931 0.000 -16.821) 19.534 16.048 ( 1.963 0.000 15.035) 15.163 16.387 ( -13.645 -0.000 4.408) 14.339 17.095 ( -14.986 -0.000 11.077) 18.635 18.402 ( -18.667 -0.000 6.147) 19.653 19.304 ( 1.163 0.000 1.336) 1.771 21.087 ( 9.237 0.000 -15.882) 18.373 21.377 ( 5.008 0.000 -19.264) 19.904 25.769 ( -3.265 -0.000 6.627) 7.388 25.973 ( 4.644 0.000 13.993) 14.743 26.562 ( 24.011 0.000 -4.634) 24.454 27.936 ( -10.318 -0.000 -6.020) 11.946 28.352 ( 5.489 0.000 5.478) 7.755 28.871 ( -3.090 -0.000 0.742) 3.178 29.293 ( -22.737 -0.000 -3.673) 23.032 29.599 ( -9.309 -0.000 -6.773) 11.512 30.028 ( 24.042 0.000 2.584) 24.181 30.236 ( -0.926 -0.000 8.610) 8.660 30.356 ( 1.834 0.000 4.664) 5.011 31.590 ( 7.596 0.000 -3.963) 8.568 ======================= Grid point 132 (59/186) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 18.315 -13.241 23.577) 32.659 2.125 ( 22.803 -13.543 25.548) 36.825 2.980 ( 4.871 5.003 10.895) 12.940 3.240 ( 0.265 -2.860 1.580) 3.278 3.772 ( 14.336 -12.220 42.819) 46.779 4.005 ( -0.480 2.216 8.882) 9.167 4.342 ( -1.505 4.993 -11.337) 12.479 4.590 ( -15.185 -4.222 10.221) 18.786 4.783 ( -9.831 -2.185 34.680) 36.113 5.108 ( -13.054 -0.802 30.202) 32.912 5.386 ( 2.413 2.297 21.292) 21.551 5.590 ( 1.381 -0.965 -5.802) 6.042 5.910 ( 1.424 -2.671 1.730) 3.486 6.032 ( -0.827 -4.872 -5.682) 7.530 6.226 ( 8.155 -6.857 2.307) 10.901 6.772 ( -0.500 10.461 -13.939) 17.435 6.905 ( -2.059 -6.781 2.782) 7.613 7.187 ( -6.781 1.529 0.575) 6.975 7.475 ( 2.819 -2.654 -2.879) 4.825 7.878 ( -3.676 10.517 4.265) 11.930 8.053 ( 2.452 0.186 -2.484) 3.495 8.421 ( 14.012 0.915 -4.971) 14.896 8.658 ( 2.679 -13.072 1.915) 13.481 8.793 ( 6.028 -7.756 -18.630) 21.061 9.101 ( 2.799 0.851 2.664) 3.957 9.349 ( -4.328 4.980 -1.507) 6.767 9.888 ( 6.520 -1.819 -8.508) 10.872 10.199 ( -0.881 -0.698 3.137) 3.333 10.529 ( -6.366 -3.290 -6.207) 9.481 10.605 ( 3.576 -7.722 -6.643) 10.795 10.960 ( 6.476 4.012 6.999) 10.345 11.097 ( -2.004 0.835 -2.757) 3.509 11.525 ( -1.745 -0.783 4.912) 5.271 11.943 ( 5.027 0.875 20.592) 21.215 12.531 ( -0.976 -2.307 -15.601) 15.800 13.819 ( 1.175 6.219 -5.776) 8.568 14.085 ( -5.172 10.339 -0.406) 11.568 14.338 ( -1.769 3.753 2.482) 4.835 14.798 ( -5.849 0.400 -7.218) 9.298 15.318 ( -20.561 -9.706 -14.225) 26.820 15.767 ( 8.252 2.871 -13.069) 15.721 16.082 ( 0.596 6.408 12.924) 14.437 16.191 ( -16.000 3.804 13.806) 21.473 16.731 ( -25.668 2.707 7.064) 26.759 18.351 ( 3.256 1.704 5.445) 6.569 19.363 ( 5.883 -0.599 -0.862) 5.976 21.146 ( 7.214 -0.588 -12.713) 14.629 21.387 ( 6.472 -2.220 -20.635) 21.740 25.753 ( -3.668 0.124 6.687) 7.628 26.074 ( 2.389 0.989 14.858) 15.081 26.842 ( 24.231 1.137 -12.460) 27.270 27.732 ( -10.126 4.246 -10.547) 15.225 28.385 ( 2.444 4.665 10.470) 11.720 28.817 ( -4.651 0.584 -0.574) 4.722 29.068 ( -8.071 1.656 6.872) 10.729 29.491 ( -9.956 -1.770 -3.726) 10.777 30.135 ( 0.909 7.889 9.433) 12.331 30.333 ( 3.888 6.319 2.387) 7.793 30.385 ( 7.011 -8.056 8.855) 13.874 31.890 ( 11.088 -23.473 -21.707) 33.839 ======================= Grid point 133 (60/186) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 16.130 -17.033 13.912) 27.273 2.578 ( 7.496 -10.730 8.009) 15.345 3.021 ( 2.993 4.373 7.436) 9.131 3.396 ( 15.159 -4.218 9.486) 18.373 3.829 ( -5.010 4.128 2.397) 6.920 4.216 ( 4.032 7.507 -4.801) 9.780 4.287 ( -0.017 1.423 15.065) 15.133 4.574 ( -3.252 -7.947 26.189) 27.561 4.816 ( -12.238 -0.413 39.321) 41.184 5.156 ( -1.183 -3.137 32.844) 33.015 5.496 ( 0.292 -6.019 8.681) 10.568 5.621 ( 0.777 -4.874 1.185) 5.076 5.921 ( -1.700 -0.599 6.666) 6.905 6.060 ( -0.649 0.592 0.179) 0.897 6.459 ( 4.638 1.040 -7.898) 9.217 6.645 ( 6.836 -7.448 -3.356) 10.652 7.019 ( 1.271 -9.185 -6.464) 11.303 7.081 ( -9.218 -0.459 2.014) 9.447 7.490 ( -1.560 1.021 3.066) 3.588 7.861 ( 8.692 -1.366 1.741) 8.970 8.082 ( 2.476 -2.365 -7.150) 7.928 8.508 ( 10.276 5.277 -4.528) 12.408 8.730 ( -1.601 -4.410 -6.123) 7.714 8.956 ( 0.902 0.376 -2.908) 3.068 9.168 ( 6.681 -8.637 -0.797) 10.949 9.261 ( -0.928 1.144 -2.364) 2.786 9.997 ( 7.748 -4.719 -5.684) 10.705 10.164 ( -1.101 2.675 -0.829) 3.009 10.479 ( -6.547 -5.937 -11.372) 14.403 10.743 ( 1.464 -5.021 2.352) 5.735 10.971 ( 4.371 3.704 -3.103) 6.515 11.061 ( 0.180 2.374 1.720) 2.937 11.515 ( -2.607 0.719 2.573) 3.733 12.053 ( 3.439 3.221 19.664) 20.220 12.537 ( 3.392 -4.604 -12.086) 13.371 13.590 ( -10.339 15.257 4.926) 19.077 13.908 ( 1.045 6.948 -6.540) 9.599 14.252 ( -12.398 1.663 3.165) 12.903 14.707 ( -4.649 -0.997 -4.935) 6.852 15.151 ( -13.493 -7.086 -2.473) 15.440 15.707 ( -3.656 4.694 -4.766) 7.623 15.891 ( -12.063 7.938 7.240) 16.154 16.167 ( 5.069 4.666 14.740) 16.271 16.583 ( -8.812 -9.687 -8.357) 15.535 18.390 ( 7.003 5.474 4.798) 10.101 19.435 ( 5.134 -0.333 -3.205) 6.062 21.180 ( 6.252 0.442 -12.602) 14.074 21.427 ( 6.430 -2.448 -18.808) 20.027 25.724 ( -3.294 1.345 6.376) 7.301 26.110 ( -1.099 3.307 14.221) 14.642 27.014 ( 13.132 0.353 -17.234) 21.670 27.547 ( -1.590 3.795 -11.025) 11.768 28.404 ( 2.411 3.630 12.931) 13.645 28.732 ( -6.450 1.016 -0.517) 6.550 29.066 ( -2.866 -4.147 11.354) 12.422 29.358 ( -9.224 2.104 2.991) 9.923 30.087 ( -2.124 1.548 8.618) 9.010 30.326 ( 4.979 4.305 0.452) 6.598 30.585 ( 0.567 -8.067 9.746) 12.664 32.203 ( 11.354 -14.671 -27.682) 33.323 ======================= Grid point 134 (61/186) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -5.460 -3.080 -3.928) 7.398 2.706 ( 9.723 -5.059 0.805) 10.990 3.054 ( 4.066 -3.730 12.488) 13.653 3.635 ( 4.114 1.625 7.128) 8.388 3.744 ( -0.798 4.086 3.934) 5.729 3.989 ( -3.306 12.690 -10.214) 16.622 4.376 ( 1.820 -4.530 27.089) 27.526 4.751 ( 1.157 -0.238 18.017) 18.055 4.788 ( -13.652 -0.136 41.342) 43.538 5.339 ( 6.029 1.874 23.200) 24.044 5.535 ( -4.280 -1.714 0.007) 4.610 5.786 ( -3.624 -10.942 14.852) 18.800 5.934 ( -2.184 5.422 -1.723) 6.094 6.041 ( 3.497 -4.437 12.511) 13.727 6.424 ( -0.503 -5.318 -13.480) 14.500 6.834 ( -10.440 -0.118 14.861) 18.162 7.015 ( 5.358 -5.999 -1.859) 8.256 7.145 ( 2.839 -5.641 -9.396) 11.321 7.494 ( 3.230 -0.437 -0.523) 3.301 8.028 ( 4.812 -3.538 4.721) 7.613 8.117 ( 0.230 -3.987 -14.281) 14.829 8.526 ( 11.440 7.097 -6.844) 15.103 8.758 ( -1.035 -3.661 3.523) 5.185 8.864 ( -3.455 3.623 3.434) 6.071 9.187 ( 2.655 5.114 -5.118) 7.707 9.464 ( 3.478 -18.004 -6.082) 19.319 10.070 ( -0.957 0.456 -5.792) 5.888 10.208 ( 5.615 -8.717 -4.611) 11.348 10.434 ( -3.547 -3.162 -9.886) 10.969 10.743 ( -0.116 5.147 4.592) 6.899 10.978 ( 3.723 7.739 2.336) 8.900 11.053 ( 2.137 -3.921 -7.589) 8.805 11.457 ( -3.947 2.913 2.207) 5.379 12.070 ( -1.624 8.462 21.395) 23.064 12.657 ( 9.583 -6.210 -6.939) 13.362 13.323 ( -7.613 5.901 1.563) 9.758 13.822 ( 1.917 5.186 -4.937) 7.412 14.014 ( -19.123 2.176 3.021) 19.482 14.682 ( -2.267 -3.158 0.095) 3.889 15.189 ( -0.448 -7.881 2.417) 8.255 15.524 ( -9.576 7.171 5.643) 13.228 15.728 ( -4.418 2.339 -1.865) 5.335 16.212 ( 3.052 4.703 12.845) 14.015 16.624 ( 0.109 -9.398 -15.951) 18.514 18.420 ( 7.209 5.648 5.042) 10.455 19.466 ( 1.953 0.259 -4.520) 4.930 21.195 ( 6.657 1.491 -14.564) 16.082 21.457 ( 5.020 -1.221 -15.977) 16.792 25.690 ( -1.854 2.196 5.955) 6.612 26.076 ( -3.608 4.420 12.334) 13.590 27.019 ( -1.361 -1.676 -20.056) 20.172 27.519 ( 9.317 2.083 -10.155) 13.938 28.425 ( -0.614 3.731 11.991) 12.573 28.647 ( -4.707 -0.294 2.650) 5.410 29.158 ( -3.049 -6.419 13.396) 15.164 29.258 ( -4.653 1.829 7.410) 8.939 30.098 ( -2.623 -2.726 5.184) 6.418 30.330 ( 3.758 3.765 0.859) 5.389 30.695 ( -4.683 -6.429 8.470) 11.619 32.372 ( 12.119 -4.433 -27.006) 29.931 ======================= Grid point 135 (62/186) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -8.930 16.736 -10.678) 21.768 2.803 ( -6.193 -1.787 9.963) 11.866 3.220 ( -1.127 8.642 5.889) 10.518 3.529 ( -3.824 -6.128 -3.748) 8.138 3.648 ( -1.925 8.391 4.465) 9.698 3.956 ( 4.679 -4.520 4.995) 8.202 4.535 ( -9.841 1.496 28.900) 30.566 4.680 ( -3.672 7.837 36.285) 37.303 4.968 ( 6.965 -8.881 12.279) 16.678 5.379 ( -3.078 3.530 8.342) 9.567 5.504 ( -7.158 -0.431 13.760) 15.516 5.757 ( -6.985 8.469 9.770) 14.696 5.905 ( 0.066 -3.379 2.793) 4.384 6.266 ( 0.583 -10.401 10.649) 14.897 6.456 ( -1.340 -5.335 -8.639) 10.241 6.684 ( -11.151 2.938 16.945) 20.497 7.105 ( -5.147 -0.791 -0.929) 5.290 7.204 ( 9.413 0.932 -11.606) 14.972 7.566 ( 5.693 -1.648 -3.302) 6.784 7.954 ( -10.239 9.472 -8.450) 16.308 8.106 ( -2.595 -4.853 -2.014) 5.860 8.562 ( 8.510 3.607 -5.580) 10.797 8.737 ( 0.936 8.215 4.652) 9.488 8.952 ( -0.901 -13.805 5.274) 14.806 9.177 ( 3.037 -0.702 -2.217) 3.825 9.640 ( -0.723 -8.721 -11.535) 14.479 10.008 ( -3.275 -0.880 -10.143) 10.695 10.382 ( 3.314 -9.877 -6.123) 12.084 10.423 ( -0.353 -2.717 -1.809) 3.283 10.669 ( 1.898 10.836 4.178) 11.767 10.923 ( 3.494 3.375 -0.795) 4.923 11.113 ( 5.754 -0.814 -10.005) 11.570 11.369 ( -3.426 3.998 5.035) 7.285 11.959 ( -6.271 11.209 21.650) 25.173 12.856 ( 11.495 -3.992 -5.526) 13.365 13.275 ( 1.131 -5.830 -5.805) 8.305 13.782 ( -0.179 2.731 -9.223) 9.620 13.829 ( -11.242 -6.188 14.528) 19.384 14.732 ( 0.104 -4.166 5.019) 6.523 15.208 ( -7.114 3.903 9.433) 12.442 15.473 ( 3.397 -4.797 3.165) 6.676 15.674 ( -0.314 -0.343 -4.239) 4.264 16.222 ( 0.470 3.521 11.878) 12.398 16.689 ( 4.376 -5.117 -18.371) 19.566 18.467 ( 6.623 2.851 5.140) 8.855 19.445 ( -1.620 0.413 -3.867) 4.213 21.191 ( 7.312 2.963 -17.188) 18.912 21.461 ( 3.719 -0.036 -14.176) 14.656 25.673 ( 0.691 2.238 5.897) 6.345 26.007 ( -4.595 4.089 10.294) 11.992 26.899 ( -8.747 -2.405 -20.377) 22.306 27.604 ( 11.615 0.136 -9.529) 15.024 28.356 ( -7.000 3.955 8.539) 11.729 28.669 ( 1.616 -1.832 6.246) 6.706 29.239 ( -0.116 -2.464 6.486) 6.939 29.272 ( -4.654 -4.622 18.718) 19.833 30.117 ( -4.723 -4.157 2.054) 6.618 30.320 ( 1.734 3.842 3.299) 5.353 30.711 ( -8.328 -3.646 5.648) 10.703 32.427 ( 13.578 4.711 -26.580) 30.217 ======================= Grid point 136 (63/186) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -11.677 22.618 -4.192) 25.797 2.645 ( -16.581 15.567 19.533) 29.979 2.947 ( -8.824 7.591 1.147) 11.696 3.512 ( -2.396 10.833 6.638) 12.929 3.691 ( -0.293 -10.620 1.407) 10.717 4.120 ( -6.298 -5.352 10.073) 13.030 4.357 ( -8.015 5.602 17.533) 20.076 4.761 ( 4.528 4.443 31.163) 31.802 5.195 ( 0.119 -4.134 10.125) 10.938 5.316 ( -8.199 -2.355 11.146) 14.036 5.405 ( -14.035 3.656 15.361) 21.126 5.628 ( -2.903 4.861 13.783) 14.900 5.928 ( -1.553 3.252 1.919) 4.083 6.310 ( -8.022 -4.419 3.467) 9.793 6.520 ( 2.249 -5.116 -0.985) 5.675 6.664 ( -0.677 1.524 13.588) 13.690 6.922 ( -11.843 7.274 -9.646) 16.918 7.225 ( 4.579 3.799 -3.492) 6.898 7.613 ( -0.811 4.260 -5.600) 7.083 7.685 ( -2.762 0.549 -8.344) 8.806 8.091 ( -8.474 -5.094 -2.773) 10.269 8.605 ( -1.548 0.013 -2.862) 3.254 8.648 ( 5.756 5.779 0.785) 8.194 9.103 ( 1.392 -0.451 1.029) 1.789 9.207 ( -2.571 -4.704 1.755) 5.641 9.602 ( -4.590 3.647 -8.120) 10.015 9.942 ( -2.020 -1.010 -12.593) 12.794 10.442 ( -2.712 -4.309 1.566) 5.327 10.514 ( 0.297 -5.906 -5.450) 8.042 10.591 ( 4.658 4.820 1.605) 6.893 10.928 ( 2.634 2.646 -5.865) 6.952 11.129 ( 8.360 5.184 -12.252) 15.712 11.344 ( 1.130 1.384 12.100) 12.231 11.807 ( -7.222 8.849 17.601) 20.983 12.947 ( 4.902 0.608 -14.464) 15.284 13.430 ( 7.434 -9.749 -5.106) 13.281 13.733 ( -2.299 -4.533 -1.598) 5.328 14.007 ( 3.236 -13.381 14.792) 20.208 14.821 ( 1.955 -3.183 7.758) 8.610 15.144 ( -3.929 -1.241 17.557) 18.034 15.597 ( 0.907 -7.254 -5.449) 9.118 15.705 ( 8.324 1.978 -1.716) 8.726 16.237 ( 0.610 1.419 12.235) 12.332 16.723 ( 4.647 -1.689 -17.583) 18.265 18.548 ( 4.720 -1.151 4.693) 6.755 19.395 ( -4.141 -0.329 -1.066) 4.289 21.163 ( 7.884 4.405 -19.493) 21.483 21.446 ( 3.443 0.572 -13.985) 14.414 25.697 ( 3.858 1.848 6.577) 7.845 25.935 ( -4.501 3.230 8.649) 10.271 26.712 ( -12.806 -1.718 -18.834) 22.840 27.727 ( 10.660 -2.722 -7.908) 13.549 28.243 ( -7.571 2.866 7.289) 10.893 28.749 ( 2.422 -2.012 5.047) 5.948 29.318 ( 3.370 0.454 11.125) 11.633 29.364 ( -6.940 -10.062 16.849) 20.816 30.102 ( -7.653 -4.485 0.308) 8.875 30.297 ( -0.006 3.714 6.209) 7.235 30.626 ( -11.710 -0.153 1.550) 11.813 32.371 ( 15.848 15.090 -27.781) 35.365 ======================= Grid point 137 (64/186) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -10.586 20.565 8.669) 24.701 2.205 ( -19.543 24.469 24.355) 39.671 2.785 ( -12.160 3.749 15.252) 19.863 3.322 ( -3.047 17.977 16.403) 24.526 3.756 ( -8.904 -1.373 4.880) 10.246 3.940 ( -8.649 4.018 11.948) 15.288 4.460 ( -1.319 -10.522 1.612) 10.726 4.906 ( 6.570 2.230 24.481) 25.445 5.137 ( -13.150 0.773 5.909) 14.437 5.246 ( -11.038 1.912 18.725) 21.820 5.300 ( -17.885 -1.903 31.660) 36.412 5.617 ( 2.777 7.299 2.351) 8.156 5.790 ( -3.158 6.463 -3.687) 8.083 6.314 ( -5.329 -2.300 3.975) 7.035 6.484 ( -16.019 0.420 -6.390) 17.251 6.648 ( 4.677 -1.542 -5.772) 7.587 6.773 ( 6.346 5.299 8.185) 11.634 7.222 ( -0.956 -1.154 3.708) 3.999 7.473 ( 1.161 4.072 -15.022) 15.607 7.764 ( 3.942 -6.275 0.802) 7.454 8.041 ( -9.567 -6.294 -0.975) 11.493 8.472 ( -7.454 3.145 -7.708) 11.175 8.735 ( 7.023 -0.199 -0.174) 7.028 8.960 ( -4.585 13.419 -2.363) 14.376 9.274 ( -1.639 -2.610 -6.693) 7.368 9.413 ( -6.553 5.117 3.795) 9.139 9.885 ( 0.636 0.677 -12.887) 12.921 10.443 ( -9.100 -0.480 5.967) 10.892 10.556 ( 2.185 -3.407 -8.826) 9.710 10.623 ( 5.385 -0.727 -1.671) 5.685 10.847 ( 3.566 11.324 -7.620) 14.107 11.110 ( 5.404 2.215 -8.111) 9.995 11.439 ( 2.705 -1.776 16.198) 16.518 11.685 ( -5.412 5.942 14.551) 16.623 12.876 ( -0.812 2.172 -19.944) 20.078 13.640 ( 8.153 -8.237 -7.665) 13.895 13.841 ( 3.734 -8.841 3.244) 10.131 14.250 ( 0.484 -7.876 9.947) 12.697 14.934 ( 3.156 -3.529 1.079) 4.856 15.352 ( 6.868 -14.615 21.441) 26.841 15.680 ( -0.221 -6.902 -1.430) 7.052 15.756 ( 9.697 5.078 -7.084) 13.038 16.320 ( 5.638 -0.624 16.086) 17.056 16.723 ( 0.519 -3.361 -12.128) 12.596 18.637 ( -0.394 -4.405 3.339) 5.542 19.354 ( -5.237 -2.248 2.161) 6.095 21.118 ( 8.231 5.239 -20.614) 22.807 21.425 ( 4.101 0.844 -15.410) 15.969 25.769 ( 6.762 2.008 7.683) 10.430 25.873 ( -4.343 2.443 7.563) 9.057 26.491 ( -12.444 -0.072 -13.401) 18.288 27.898 ( 9.360 -7.736 -5.793) 13.454 28.151 ( -5.787 1.911 6.649) 9.019 28.820 ( 1.460 -2.453 3.106) 4.219 29.377 ( -7.565 -5.962 15.596) 18.330 29.514 ( 2.795 -6.726 8.933) 11.526 30.071 ( -9.352 -6.375 3.788) 11.935 30.263 ( -1.699 3.990 6.119) 7.500 30.428 ( -13.382 4.342 -3.839) 14.583 32.175 ( 17.047 28.451 -27.607) 43.153 ======================= Grid point 138 (65/186) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -1.039 8.274 24.878) 26.238 1.695 ( -17.758 26.199 31.572) 44.705 2.736 ( -1.927 1.232 39.273) 39.340 3.120 ( -1.065 16.456 19.731) 25.714 3.596 ( -12.945 1.177 0.865) 13.027 3.955 ( -0.256 -2.284 8.611) 8.912 4.551 ( -4.977 -8.845 0.352) 10.155 4.909 ( -17.497 5.978 7.912) 20.112 4.987 ( -9.376 2.306 6.756) 11.784 5.111 ( -10.314 5.620 34.628) 36.566 5.269 ( -13.024 -5.593 29.666) 32.878 5.570 ( 6.380 3.732 -2.563) 7.823 5.708 ( 3.107 5.546 0.332) 6.365 6.207 ( -10.228 0.170 -4.317) 11.103 6.298 ( -7.587 3.028 -2.608) 8.575 6.750 ( 8.684 -1.835 -10.782) 13.966 6.866 ( 3.139 -3.192 12.273) 13.064 7.276 ( -1.046 -5.984 2.221) 6.468 7.410 ( 4.702 3.716 -11.135) 12.646 7.930 ( 6.265 -5.921 -1.556) 8.759 8.051 ( -8.295 -13.791 2.454) 16.279 8.294 ( -6.730 4.207 -5.196) 9.486 8.641 ( -5.672 21.556 1.717) 22.355 8.792 ( 5.356 1.733 -8.701) 10.364 9.135 ( -3.681 3.526 -10.229) 11.428 9.430 ( -2.324 -5.259 5.925) 8.256 9.844 ( 3.092 1.131 -11.994) 12.438 10.280 ( -6.247 9.095 2.837) 11.393 10.570 ( 1.159 -0.303 -6.079) 6.196 10.685 ( -1.237 7.287 -5.718) 9.345 10.746 ( 7.029 -2.807 1.782) 7.776 11.134 ( 1.509 -1.051 -3.143) 3.641 11.520 ( -2.347 0.622 11.817) 12.064 11.669 ( 2.235 1.357 20.026) 20.196 12.740 ( -3.238 1.613 -19.743) 20.072 13.780 ( 6.369 -4.020 -9.838) 12.390 14.040 ( 7.814 -5.240 -0.311) 9.413 14.366 ( -3.575 -9.040 9.354) 13.491 14.965 ( -2.032 -1.505 -4.873) 5.490 15.635 ( 10.314 1.589 -8.010) 13.155 15.651 ( 3.114 3.938 -19.065) 19.715 15.903 ( 1.817 -9.628 14.582) 17.568 16.468 ( -0.238 -0.391 8.507) 8.519 16.870 ( 7.299 -17.171 10.304) 21.314 18.633 ( -14.507 -4.173 1.456) 15.166 19.327 ( -6.132 -2.176 2.234) 6.880 21.073 ( 8.621 4.393 -19.568) 21.829 21.402 ( 4.478 1.130 -17.482) 18.082 25.802 ( -1.990 3.274 4.846) 6.178 25.871 ( 3.703 0.570 12.116) 12.682 26.378 ( 3.753 0.108 -3.222) 4.948 28.034 ( -6.589 -4.756 -3.864) 8.998 28.180 ( 9.456 -4.699 4.948) 11.661 28.873 ( -0.226 -2.201 1.531) 2.691 29.423 ( -18.642 -18.062 2.742) 26.101 29.680 ( 10.775 -0.858 8.353) 13.661 29.963 ( -14.247 8.107 -8.545) 18.486 30.189 ( -1.122 -1.874 10.902) 11.119 30.295 ( -1.218 -0.174 2.343) 2.646 31.809 ( 11.843 35.438 -15.486) 40.446 ======================= Grid point 140 (66/186) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 22.426 0.000 22.164) 31.531 2.387 ( 16.184 0.000 15.968) 22.735 3.094 ( 5.246 0.000 5.069) 7.294 3.345 ( 15.904 0.000 6.538) 17.195 3.953 ( -7.459 -0.000 1.042) 7.532 4.156 ( 22.345 0.000 46.460) 51.554 4.396 ( 8.535 0.000 -3.844) 9.360 4.471 ( -8.863 -0.000 14.925) 17.358 4.806 ( -6.030 -0.000 32.375) 32.931 5.047 ( -13.583 -0.000 34.643) 37.211 5.552 ( 2.034 0.000 27.234) 27.310 5.587 ( 2.072 0.000 -4.648) 5.089 5.828 ( -1.880 -0.000 -12.732) 12.870 5.986 ( 2.378 0.000 -5.021) 5.555 6.349 ( 16.418 0.000 4.191) 16.945 6.709 ( -13.500 -0.000 -2.782) 13.783 6.883 ( 6.393 0.000 -11.807) 13.427 7.089 ( -10.052 -0.000 1.850) 10.221 7.477 ( 1.419 0.000 -1.408) 1.999 7.974 ( 2.317 0.000 -19.352) 19.490 7.987 ( -4.003 -0.000 14.278) 14.828 8.612 ( 1.239 0.000 0.634) 1.392 8.625 ( 17.313 0.000 -8.394) 19.241 8.768 ( 10.219 0.000 -14.721) 17.920 9.185 ( 5.923 0.000 6.858) 9.062 9.317 ( -3.239 -0.000 -6.219) 7.012 9.926 ( 7.036 0.000 -7.933) 10.603 10.252 ( 6.415 0.000 0.335) 6.423 10.418 ( -7.885 -0.000 -2.252) 8.200 10.525 ( 1.301 0.000 -8.619) 8.717 11.058 ( -3.960 -0.000 0.181) 3.965 11.096 ( 4.268 0.000 9.810) 10.698 11.521 ( -0.173 -0.000 1.033) 1.048 12.094 ( 5.237 0.000 18.802) 19.518 12.458 ( 1.033 0.000 -11.515) 11.561 13.869 ( 2.131 0.000 -5.358) 5.766 14.031 ( -12.396 -0.000 -2.586) 12.663 14.391 ( 0.160 0.000 0.493) 0.519 14.702 ( -4.933 -0.000 -8.000) 9.399 14.840 ( -31.772 -0.000 2.145) 31.845 15.891 ( 11.947 0.000 -15.416) 19.503 16.012 ( -18.109 -0.000 7.635) 19.653 16.218 ( 2.487 0.000 12.836) 13.075 16.349 ( -31.340 -0.000 10.713) 33.121 18.517 ( 12.726 0.000 3.656) 13.241 19.436 ( 6.914 0.000 -3.549) 7.771 21.184 ( 5.905 0.000 -10.745) 12.260 21.380 ( 8.034 0.000 -20.425) 21.948 25.744 ( -2.616 -0.000 6.989) 7.463 26.161 ( -0.403 -0.000 16.339) 16.344 27.014 ( 10.429 0.000 -18.442) 21.187 27.617 ( -3.415 -0.000 -12.772) 13.221 28.472 ( -0.139 -0.000 12.188) 12.188 28.753 ( -5.043 -0.000 -1.693) 5.320 29.025 ( -4.204 -0.000 7.253) 8.383 29.387 ( -2.658 -0.000 -5.927) 6.495 30.256 ( -11.107 -0.000 12.967) 17.074 30.291 ( -1.183 -0.000 10.368) 10.435 30.453 ( 4.177 0.000 -0.276) 4.186 31.896 ( 25.515 0.000 -19.488) 32.106 ======================= Grid point 141 (67/186) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 15.753 -4.348 13.050) 20.913 2.608 ( 7.850 -3.854 8.330) 12.077 3.160 ( 6.253 4.287 4.242) 8.687 3.657 ( 21.855 -1.621 12.472) 25.216 3.838 ( -3.956 4.976 2.423) 6.803 4.387 ( 1.130 9.340 2.150) 9.651 4.444 ( 6.500 9.227 11.034) 15.784 4.588 ( 0.800 -6.340 42.007) 42.491 4.851 ( -7.466 1.446 33.264) 34.122 5.172 ( 0.248 -14.807 30.371) 33.789 5.567 ( 1.887 5.883 4.703) 7.765 5.616 ( 4.537 2.718 5.122) 7.362 5.847 ( -3.881 -6.834 4.117) 8.873 6.055 ( 6.808 -2.706 -4.833) 8.776 6.458 ( -10.492 5.042 -6.971) 13.568 6.661 ( 15.082 -7.783 2.230) 17.118 6.948 ( -0.706 -3.152 -5.616) 6.479 6.974 ( 0.096 -0.548 -2.353) 2.418 7.490 ( 0.764 -0.436 -0.203) 0.902 7.924 ( 4.516 -1.506 -13.080) 13.919 8.018 ( -3.286 -2.014 4.363) 5.822 8.616 ( -1.530 -2.370 -4.811) 5.577 8.748 ( 12.583 5.456 -8.238) 15.999 8.907 ( 6.243 -7.010 -7.293) 11.887 9.207 ( 2.797 5.077 3.180) 6.611 9.349 ( 9.904 0.454 -1.397) 10.012 10.009 ( 6.607 -3.290 -8.096) 10.955 10.239 ( -0.929 10.011 -3.502) 10.646 10.301 ( -2.455 -3.468 -8.455) 9.463 10.647 ( 2.428 -12.291 -1.678) 12.640 10.986 ( -3.414 2.576 0.429) 4.298 11.152 ( 0.100 1.953 9.216) 9.421 11.519 ( 0.535 1.171 -0.551) 1.401 12.215 ( 4.160 2.045 17.752) 18.347 12.483 ( 4.697 -4.330 -7.603) 9.931 13.692 ( -11.581 15.195 1.333) 19.152 13.915 ( -1.938 -1.035 -7.447) 7.764 14.169 ( -17.119 13.319 6.507) 22.645 14.622 ( -2.961 -1.424 -5.157) 6.115 14.759 ( -12.819 -21.752 2.549) 25.377 15.754 ( -12.578 7.711 3.268) 15.111 15.859 ( -5.904 7.176 2.227) 9.556 16.201 ( -12.217 -11.130 1.177) 16.569 16.314 ( 5.059 -3.846 1.649) 6.565 18.646 ( 13.010 6.792 3.226) 15.027 19.491 ( 5.044 0.907 -5.281) 7.359 21.205 ( 4.725 -0.317 -12.550) 13.413 21.420 ( 7.998 -1.055 -17.087) 18.895 25.737 ( -1.756 1.014 6.947) 7.237 26.178 ( -4.379 2.329 15.440) 16.217 26.974 ( -4.095 -1.130 -19.859) 20.309 27.577 ( 6.528 1.519 -13.382) 14.967 28.501 ( -1.339 1.491 12.883) 13.038 28.673 ( -4.527 1.468 -1.326) 4.940 29.043 ( -0.756 -2.086 9.996) 10.239 29.337 ( -0.428 2.962 -0.530) 3.039 30.089 ( -11.075 2.306 12.988) 17.224 30.394 ( -3.507 -7.890 6.814) 10.999 30.483 ( 2.289 1.159 0.843) 2.701 32.202 ( 24.943 -5.534 -22.296) 33.910 ======================= Grid point 142 (68/186) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -0.151 -0.044 2.669) 2.674 2.850 ( 14.318 -5.545 4.721) 16.063 3.163 ( 4.664 7.226 6.252) 10.633 3.737 ( -1.581 6.482 2.161) 7.013 3.899 ( 8.862 7.420 12.228) 16.826 4.184 ( 3.432 19.893 -7.135) 21.411 4.494 ( 3.398 0.178 29.726) 29.920 4.793 ( -0.770 -4.775 29.969) 30.357 4.835 ( -12.852 2.982 44.435) 46.352 5.487 ( 0.537 -3.279 2.837) 4.369 5.579 ( 4.478 -4.304 15.855) 17.028 5.639 ( 0.115 1.707 1.638) 2.368 5.890 ( -3.253 -5.275 -2.369) 6.635 6.117 ( 5.114 4.356 5.665) 8.787 6.304 ( -3.369 -2.969 -4.859) 6.616 6.774 ( -10.875 2.638 12.177) 16.538 6.989 ( 5.151 -6.576 -1.412) 8.472 7.156 ( 18.180 -3.873 -11.570) 21.894 7.527 ( 5.129 -1.070 -2.417) 5.770 7.983 ( -0.245 -5.508 -17.695) 18.534 8.031 ( -0.877 -3.764 7.678) 8.596 8.610 ( -3.672 -4.191 -1.655) 5.813 8.763 ( 8.540 5.816 -6.880) 12.413 8.952 ( 0.049 2.518 0.173) 2.524 9.264 ( 6.368 0.652 -3.746) 7.417 9.430 ( 11.425 4.549 -0.441) 12.305 10.016 ( -2.723 0.909 -11.354) 11.712 10.189 ( 5.569 -1.760 -5.336) 7.911 10.313 ( -0.088 -6.099 -5.777) 8.401 10.781 ( -1.111 -2.290 3.297) 4.166 10.970 ( 2.930 -4.728 -5.971) 8.160 11.112 ( -3.215 4.942 6.405) 8.706 11.491 ( 0.582 3.845 0.554) 3.928 12.258 ( -0.073 7.510 19.978) 21.343 12.643 ( 9.278 -9.085 -4.750) 13.827 13.347 ( -9.968 11.703 0.775) 15.392 13.813 ( -20.500 4.645 6.334) 21.953 13.873 ( 0.987 3.010 -6.567) 7.291 14.625 ( 0.823 -3.066 -1.665) 3.585 14.973 ( -3.459 -20.025 2.719) 20.503 15.515 ( -12.954 6.112 8.138) 16.474 15.716 ( -4.889 3.461 2.782) 6.605 16.205 ( -8.389 -6.002 4.660) 11.319 16.454 ( 6.581 -7.249 -11.611) 15.188 18.695 ( 12.294 10.405 2.517) 16.302 19.491 ( 1.908 2.297 -5.232) 6.024 21.218 ( 4.620 -0.719 -14.782) 15.504 21.459 ( 6.494 -0.046 -14.389) 15.787 25.730 ( -0.314 1.727 6.876) 7.096 26.118 ( -6.895 3.524 12.809) 14.968 26.831 ( -8.954 -2.154 -19.272) 21.359 27.611 ( 8.348 0.374 -12.623) 15.138 28.458 ( -7.549 3.561 9.344) 12.530 28.642 ( 1.097 -0.533 3.789) 3.981 29.121 ( -0.211 -3.016 12.099) 12.471 29.309 ( 2.214 3.685 6.610) 7.885 30.024 ( -8.478 -3.293 8.156) 12.216 30.447 ( 4.623 2.730 -3.481) 6.399 30.502 ( -8.765 -7.481 9.019) 14.633 32.455 ( 21.282 -1.444 -23.001) 31.370 ======================= Grid point 143 (69/186) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -0.832 7.974 1.497) 8.156 2.923 ( 6.146 16.664 1.178) 17.801 3.282 ( 5.095 -11.196 8.048) 14.700 3.549 ( -4.405 18.606 -3.891) 19.512 3.787 ( -1.817 13.434 9.069) 16.310 4.031 ( 3.316 6.414 6.700) 9.850 4.628 ( -2.928 5.602 28.073) 28.775 4.847 ( -7.192 0.697 47.797) 48.340 4.986 ( 3.662 -7.212 19.284) 20.912 5.401 ( -5.961 7.174 -2.222) 9.588 5.524 ( -3.101 5.739 2.463) 6.973 5.748 ( -6.811 -6.287 12.249) 15.361 5.927 ( 4.508 1.472 -3.209) 5.726 6.179 ( 1.495 -3.820 7.794) 8.807 6.349 ( 0.612 -3.959 -1.628) 4.324 6.674 ( -6.469 0.577 17.545) 18.708 7.007 ( -7.407 0.648 -2.535) 7.856 7.358 ( 18.188 2.426 -15.159) 23.801 7.620 ( 8.006 -1.002 -4.049) 9.028 7.896 ( -8.677 3.840 -10.136) 13.884 8.042 ( -4.174 2.499 5.092) 7.043 8.653 ( 2.392 -2.113 -2.287) 3.927 8.788 ( 0.081 -3.197 -3.858) 5.012 8.908 ( 2.811 3.429 5.399) 6.987 9.252 ( 5.149 5.959 -6.199) 10.022 9.544 ( 6.562 -3.497 -2.969) 8.006 9.928 ( -0.843 1.134 -14.374) 14.443 10.270 ( 1.513 -7.337 -3.586) 8.306 10.413 ( 4.760 -2.564 -2.497) 5.955 10.760 ( -2.852 1.027 1.485) 3.375 10.985 ( -1.873 4.499 -2.707) 5.575 11.105 ( 3.697 -4.074 -1.575) 5.723 11.453 ( 3.219 4.576 2.040) 5.955 12.150 ( -6.176 13.763 23.011) 27.515 12.865 ( 6.122 -7.700 -7.488) 12.362 13.206 ( 1.102 -2.943 -4.732) 5.680 13.594 ( -14.312 -1.990 7.574) 16.315 13.854 ( 4.638 0.501 -2.069) 5.103 14.708 ( 3.355 -4.503 1.813) 5.901 15.169 ( -2.491 -7.674 3.122) 8.651 15.354 ( -10.805 -2.931 7.859) 13.679 15.686 ( -0.177 -2.399 4.513) 5.114 16.203 ( -6.224 -4.305 7.343) 10.545 16.564 ( 4.321 -6.610 -18.037) 19.690 18.701 ( 10.378 10.112 0.554) 14.500 19.443 ( -0.563 3.213 -2.932) 4.386 21.221 ( 4.461 -0.214 -16.557) 17.149 21.471 ( 5.433 1.181 -13.591) 14.684 25.744 ( 1.974 1.511 7.243) 7.658 26.025 ( -7.229 3.046 9.930) 12.655 26.663 ( -10.463 -1.633 -16.867) 19.915 27.668 ( 6.630 -1.523 -11.198) 13.102 28.333 ( -8.455 3.759 8.331) 12.451 28.706 ( 2.640 -1.737 4.112) 5.186 29.205 ( -1.349 -2.673 15.170) 15.462 29.351 ( 5.501 2.258 10.345) 11.933 29.993 ( -8.959 -3.969 3.848) 10.528 30.429 ( 3.400 5.390 0.007) 6.373 30.516 ( -10.084 -6.965 5.012) 13.241 32.599 ( 18.510 3.410 -24.117) 30.592 ======================= Grid point 144 (70/186) ======================= q-point: (-0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 9.015 26.477 0.619) 27.976 2.738 ( -4.530 12.642 14.402) 19.692 3.108 ( -7.360 27.598 0.689) 28.571 3.507 ( -1.757 -9.332 1.442) 9.605 3.674 ( 0.476 4.874 8.234) 9.581 4.063 ( -1.003 -0.892 9.145) 9.243 4.512 ( -4.903 15.094 23.181) 28.093 4.945 ( -7.517 -0.734 42.143) 42.814 5.166 ( -3.088 -3.267 14.053) 14.755 5.211 ( -8.214 2.882 0.570) 8.724 5.434 ( -1.088 7.379 6.829) 10.113 5.715 ( -3.387 1.946 11.395) 12.046 5.938 ( -2.940 1.583 2.690) 4.288 6.224 ( -0.671 -0.351 6.455) 6.499 6.442 ( 1.578 -5.463 -2.437) 6.187 6.700 ( -4.800 2.376 3.996) 6.682 6.813 ( -9.081 1.506 5.075) 10.511 7.424 ( 12.765 8.653 -11.754) 19.390 7.617 ( -7.492 9.217 -9.982) 15.515 7.704 ( 6.140 1.031 -0.908) 6.292 7.967 ( -5.520 1.020 2.983) 6.357 8.633 ( -1.461 5.681 -3.979) 7.088 8.762 ( 2.813 1.534 -0.561) 3.253 9.046 ( 1.458 -8.161 5.300) 9.839 9.184 ( -1.448 3.065 -6.553) 7.378 9.617 ( 4.667 4.510 -5.349) 8.410 9.863 ( 0.112 -1.386 -12.316) 12.394 10.388 ( 1.596 -4.990 0.880) 5.313 10.431 ( 0.187 0.233 -3.743) 3.755 10.708 ( -0.950 3.563 3.098) 4.817 10.925 ( 0.389 0.110 -6.682) 6.694 11.186 ( 4.220 -2.602 -5.589) 7.471 11.464 ( 4.496 3.923 4.199) 7.296 11.950 ( -7.772 13.035 20.103) 25.189 12.893 ( -2.023 -2.484 -17.338) 17.631 13.376 ( 8.851 -9.879 -4.943) 14.155 13.563 ( -7.903 -8.039 9.348) 14.645 14.020 ( 12.261 -7.703 5.669) 15.550 14.826 ( 3.845 -4.312 1.345) 5.932 15.158 ( -2.843 1.359 13.806) 14.161 15.387 ( -8.380 -12.772 -0.017) 15.276 15.792 ( 2.525 -5.739 3.914) 7.391 16.251 ( 0.066 -4.308 10.267) 11.134 16.587 ( -1.448 -4.804 -21.309) 21.892 18.682 ( 5.363 7.025 -1.822) 9.024 19.379 ( -1.170 3.362 0.675) 3.623 21.203 ( 4.193 0.820 -17.743) 18.250 21.462 ( 5.453 1.780 -14.504) 15.597 25.800 ( 3.972 0.614 8.728) 9.609 25.940 ( -5.651 1.964 6.986) 9.197 26.488 ( -9.004 0.025 -12.085) 15.071 27.731 ( 3.632 -4.026 -9.499) 10.938 28.223 ( -6.016 3.188 8.097) 10.579 28.773 ( 1.926 -1.717 2.228) 3.409 29.261 ( -5.955 -1.419 18.896) 19.863 29.472 ( 10.474 0.574 10.233) 14.654 29.929 ( -11.094 -3.971 1.426) 11.870 30.394 ( 0.818 4.708 4.872) 6.824 30.466 ( -8.950 -1.377 0.441) 9.066 32.639 ( 16.343 8.186 -27.332) 32.881 ======================= Grid point 145 (71/186) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 18.736 38.128 2.355) 42.548 2.494 ( -9.224 28.024 24.014) 38.041 2.759 ( -7.379 4.589 11.561) 14.463 3.477 ( -5.125 3.170 1.033) 6.114 3.752 ( 2.263 -3.047 11.018) 11.654 3.994 ( -6.548 12.246 16.931) 21.898 4.375 ( -1.122 3.967 2.229) 4.687 4.928 ( -21.656 -2.910 29.206) 36.475 5.113 ( -6.155 4.679 14.957) 16.837 5.189 ( -8.419 -1.025 24.699) 26.115 5.332 ( 1.921 9.524 9.019) 13.257 5.764 ( 0.039 6.478 4.968) 8.164 5.804 ( -2.436 1.560 -0.444) 2.927 6.254 ( -15.342 5.817 -1.235) 16.454 6.275 ( -0.800 -2.161 3.841) 4.479 6.654 ( 3.137 -1.052 -7.270) 7.988 6.911 ( 8.128 -3.564 7.212) 11.436 7.303 ( -2.416 12.163 4.032) 13.039 7.508 ( 6.708 1.860 -17.310) 18.657 7.744 ( -0.342 -0.654 5.856) 5.902 7.916 ( -1.645 0.007 0.392) 1.691 8.483 ( -2.830 7.561 -4.483) 9.235 8.813 ( 5.161 0.050 -0.435) 5.179 9.027 ( -4.674 3.842 -5.196) 7.975 9.189 ( -0.219 -4.230 -4.250) 6.001 9.471 ( -2.200 13.533 -1.796) 13.828 9.864 ( 2.862 -0.738 -8.138) 8.658 10.348 ( -6.580 1.525 1.931) 7.025 10.530 ( 6.442 -5.113 -1.749) 8.409 10.686 ( 2.260 1.646 1.245) 3.060 10.904 ( -0.975 0.463 -6.790) 6.875 11.193 ( 4.114 4.231 -15.845) 16.908 11.502 ( 0.614 -0.328 13.623) 13.640 11.796 ( -3.705 7.870 16.714) 18.843 12.793 ( -2.812 0.784 -20.982) 21.184 13.590 ( 6.364 -8.755 -7.498) 13.167 13.677 ( -3.893 -14.202 11.805) 18.874 14.280 ( 8.548 -2.386 3.966) 9.721 14.905 ( 0.315 -2.851 -4.336) 5.199 15.324 ( 9.471 -12.586 13.173) 20.534 15.475 ( -8.864 -14.998 9.290) 19.744 15.883 ( 2.503 -1.340 -1.691) 3.304 16.409 ( 4.790 -4.629 13.502) 15.056 16.489 ( -9.021 -5.248 -20.424) 22.936 18.612 ( -4.390 3.680 -2.473) 6.240 19.334 ( -0.043 2.816 2.636) 3.858 21.168 ( 4.307 1.699 -17.801) 18.393 21.447 ( 5.967 1.957 -16.747) 17.886 25.848 ( -5.250 0.180 9.289) 10.672 25.916 ( 4.088 1.272 5.426) 6.912 26.388 ( 2.441 0.747 -4.850) 5.480 27.791 ( -1.641 -7.463 -8.078) 11.120 28.169 ( -1.202 1.928 8.383) 8.685 28.819 ( 0.762 -1.629 1.061) 2.088 29.235 ( -10.387 0.416 17.182) 20.082 29.654 ( 8.871 -0.842 10.515) 13.783 29.858 ( -9.501 -5.382 2.083) 11.116 30.333 ( -7.909 3.041 -0.966) 8.528 30.370 ( 2.429 5.630 6.217) 8.732 32.553 ( 12.827 15.074 -31.930) 37.567 ======================= Grid point 146 (72/186) ======================= q-point: (-0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 18.012 32.170 8.305) 37.793 2.109 ( 2.872 28.083 31.329) 42.171 2.795 ( 0.832 -3.939 19.564) 19.974 3.350 ( -5.950 5.016 0.517) 7.800 3.760 ( 5.627 22.833 34.200) 41.505 3.910 ( -1.902 -6.550 6.352) 9.320 4.350 ( -3.096 -5.251 -11.558) 13.067 4.801 ( -20.833 -1.935 27.899) 34.873 4.922 ( -16.356 10.404 16.852) 25.685 5.152 ( -11.528 -1.180 21.798) 24.686 5.312 ( 2.715 8.610 22.858) 24.577 5.623 ( 0.985 3.073 -6.906) 7.623 5.865 ( 5.094 1.348 4.799) 7.127 6.111 ( -4.307 -0.369 -0.513) 4.353 6.266 ( -0.343 4.245 1.732) 4.598 6.680 ( 3.174 -4.956 -13.414) 14.648 7.015 ( 4.132 8.561 3.113) 10.003 7.195 ( -2.862 -2.249 3.605) 5.123 7.496 ( 4.910 3.799 -7.984) 10.114 7.786 ( -7.792 -8.683 10.762) 15.872 7.954 ( 6.571 -1.905 -1.376) 6.979 8.365 ( 3.620 5.713 -5.121) 8.483 8.812 ( -0.306 5.909 -6.251) 8.607 8.914 ( 4.028 8.761 -3.875) 10.392 9.122 ( -0.815 6.040 -9.867) 11.597 9.335 ( -4.920 -2.011 5.430) 7.598 9.875 ( 5.332 1.955 -8.560) 10.273 10.251 ( -7.069 0.372 2.935) 7.663 10.612 ( 4.011 3.299 -1.549) 5.420 10.769 ( -0.813 6.988 -13.048) 14.824 10.782 ( 4.143 -3.545 4.958) 7.369 11.124 ( 0.841 1.078 -9.168) 9.269 11.541 ( -2.796 0.592 10.074) 10.471 11.803 ( 3.102 1.159 19.577) 19.855 12.656 ( -2.148 2.470 -19.260) 19.536 13.723 ( 1.031 -8.642 -5.187) 10.131 13.911 ( -0.920 -16.346 5.508) 17.274 14.333 ( 1.456 2.481 2.428) 3.764 14.882 ( -4.191 -1.145 -6.441) 7.769 15.513 ( -2.746 -9.753 -13.335) 16.748 15.816 ( 3.844 -16.381 20.019) 26.151 15.836 ( 4.121 9.694 -10.064) 14.569 16.298 ( -21.830 -8.170 5.311) 23.906 16.689 ( 5.050 -12.997 5.783) 15.095 18.440 ( -13.039 3.260 1.132) 13.488 19.324 ( 2.559 1.915 1.601) 3.575 21.136 ( 5.714 1.830 -16.047) 17.132 21.423 ( 6.004 2.424 -19.183) 20.247 25.791 ( -5.642 0.675 5.989) 8.256 25.983 ( 2.655 0.274 11.204) 11.518 26.538 ( 21.607 -1.391 -3.572) 21.945 27.807 ( -8.454 -7.942 -8.318) 14.274 28.231 ( 3.967 -3.236 9.683) 10.953 28.842 ( -1.343 -1.519 0.121) 2.031 29.142 ( -11.457 -0.061 11.736) 16.401 29.668 ( -14.038 -1.663 4.845) 14.943 29.951 ( 9.046 -4.389 4.959) 11.211 30.228 ( -0.292 1.606 3.595) 3.948 30.369 ( 5.414 5.703 6.338) 10.100 32.272 ( 7.058 25.302 -31.794) 41.241 ======================= Grid point 149 (73/186) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 10.062 0.000 8.492) 13.167 2.702 ( 5.494 0.000 10.332) 11.702 3.291 ( 6.187 0.000 4.133) 7.440 3.869 ( -0.940 -0.000 6.244) 6.314 3.946 ( 17.164 0.000 11.324) 20.563 4.505 ( 2.935 0.000 18.171) 18.406 4.678 ( -10.502 -0.000 49.555) 50.656 4.768 ( 20.403 0.000 0.380) 20.407 4.896 ( -7.355 -0.000 27.983) 28.933 5.098 ( -3.092 -0.000 22.294) 22.508 5.608 ( 0.589 0.000 -1.813) 1.907 5.683 ( 0.556 0.000 -13.042) 13.053 5.832 ( -0.810 -0.000 14.448) 14.471 6.186 ( 15.654 0.000 3.918) 16.137 6.299 ( -13.126 -0.000 0.265) 13.129 6.825 ( -11.227 -0.000 3.099) 11.647 6.841 ( 18.618 0.000 0.100) 18.618 7.085 ( 19.976 0.000 -10.561) 22.596 7.508 ( 3.609 0.000 -1.497) 3.908 7.855 ( 2.343 0.000 -24.373) 24.486 7.991 ( -6.313 -0.000 12.291) 13.817 8.563 ( -1.229 -0.000 -3.691) 3.891 8.881 ( 6.387 0.000 -10.710) 12.470 8.887 ( 2.687 0.000 -5.230) 5.880 9.363 ( 14.566 0.000 -10.929) 18.210 9.493 ( 10.455 0.000 11.734) 15.716 10.003 ( 1.775 0.000 -11.456) 11.592 10.189 ( -1.674 -0.000 -4.406) 4.713 10.438 ( 7.042 0.000 -6.827) 9.808 10.489 ( -0.878 -0.000 -1.623) 1.845 10.956 ( -5.537 -0.000 3.604) 6.606 11.168 ( -4.223 -0.000 6.821) 8.023 11.547 ( 2.207 0.000 -0.075) 2.208 12.346 ( 3.491 0.000 16.170) 16.543 12.497 ( 6.548 0.000 -3.441) 7.397 13.588 ( -18.003 -0.000 -7.720) 19.588 13.896 ( 2.500 0.000 -1.260) 2.799 14.147 ( -26.942 -0.000 16.529) 31.608 14.396 ( -0.794 -0.000 1.828) 1.993 14.583 ( 0.447 0.000 -5.128) 5.147 15.615 ( -16.875 -0.000 9.769) 19.499 15.832 ( -16.512 -0.000 3.285) 16.835 16.017 ( 4.180 0.000 -6.181) 7.462 16.369 ( 5.740 0.000 -2.039) 6.092 18.869 ( 12.614 0.000 0.605) 12.628 19.531 ( 3.234 0.000 -5.441) 6.329 21.195 ( 3.737 0.000 -16.243) 16.668 21.458 ( 7.680 0.000 -12.546) 14.710 25.756 ( -0.882 -0.000 7.369) 7.422 26.173 ( -8.340 -0.000 14.301) 16.556 26.798 ( -8.507 -0.000 -18.939) 20.762 27.619 ( 6.945 0.000 -14.491) 16.069 28.527 ( -4.129 -0.000 12.728) 13.381 28.627 ( -3.270 -0.000 -2.461) 4.093 29.078 ( 1.885 0.000 11.754) 11.905 29.397 ( 5.371 0.000 0.077) 5.372 29.945 ( -18.163 -0.000 15.083) 23.609 30.321 ( -3.323 -0.000 11.548) 12.017 30.548 ( 5.009 0.000 -6.187) 7.960 32.420 ( 25.948 0.000 -21.085) 33.434 ======================= Grid point 150 (74/186) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 2.554 5.975 6.723) 9.350 2.893 ( 5.743 -9.313 10.030) 14.843 3.343 ( 4.495 4.722 3.222) 7.272 3.832 ( -0.594 7.069 6.606) 9.693 4.148 ( 6.229 2.715 12.537) 14.260 4.521 ( 4.303 18.108 4.988) 19.269 4.679 ( -0.151 4.152 33.247) 33.505 4.862 ( -13.378 2.695 42.735) 44.861 4.926 ( 6.100 4.181 26.288) 27.309 5.361 ( 4.161 -18.196 7.928) 20.279 5.576 ( -0.147 3.624 -2.307) 4.299 5.707 ( -0.418 -2.894 -5.347) 6.094 5.753 ( -6.640 -0.298 -7.772) 10.226 6.187 ( -3.147 -1.566 0.226) 3.523 6.381 ( 10.411 4.614 12.481) 16.896 6.697 ( -11.094 0.314 9.028) 14.307 7.032 ( 9.396 1.765 -1.005) 9.613 7.388 ( 28.592 0.318 -10.482) 30.454 7.584 ( 8.524 -1.305 -3.774) 9.413 7.836 ( 2.063 -5.812 -21.788) 22.644 7.972 ( -4.034 -3.854 9.820) 11.294 8.548 ( 0.215 -0.400 -1.120) 1.209 8.840 ( 0.144 3.059 -7.023) 7.661 8.929 ( 0.591 -2.914 -5.468) 6.224 9.440 ( 10.909 7.890 -4.810) 14.297 9.648 ( 8.221 1.300 -0.226) 8.326 9.972 ( 2.834 0.972 -11.356) 11.745 10.234 ( 0.973 -2.365 -0.253) 2.570 10.268 ( 3.224 8.011 -3.210) 9.213 10.693 ( 2.215 -10.737 -2.756) 11.305 10.907 ( -3.894 -3.214 -0.149) 5.051 11.109 ( -6.282 1.400 3.953) 7.553 11.561 ( 2.190 2.464 1.287) 3.539 12.414 ( 0.145 4.100 17.125) 17.609 12.624 ( 7.223 -6.290 -2.399) 9.873 13.301 ( -14.500 4.186 -7.471) 16.840 13.758 ( -16.906 14.354 13.873) 26.159 13.906 ( 3.120 2.981 -0.799) 4.388 14.605 ( -0.614 -9.267 0.049) 9.288 14.621 ( 0.216 -16.806 2.617) 17.010 15.444 ( -13.394 2.544 11.550) 17.868 15.649 ( -11.214 0.367 1.352) 11.301 16.059 ( -2.302 -4.182 1.493) 5.002 16.439 ( 6.687 -2.343 -12.195) 14.103 18.964 ( 10.550 6.388 -3.815) 12.910 19.528 ( 1.345 2.100 -2.579) 3.587 21.182 ( 3.566 -1.533 -18.940) 19.334 21.498 ( 6.013 0.598 -10.119) 11.786 25.775 ( -0.032 0.588 7.756) 7.779 26.091 ( -10.308 1.438 11.417) 15.449 26.631 ( -7.189 -0.570 -16.813) 18.294 27.642 ( 5.393 -0.402 -13.966) 14.976 28.458 ( -7.040 5.048 9.169) 12.614 28.626 ( -1.046 -4.006 1.545) 4.420 29.168 ( 2.882 -0.512 13.878) 14.183 29.454 ( 6.637 4.514 6.821) 10.533 29.840 ( -13.577 -6.364 10.439) 18.270 30.344 ( -4.993 -3.632 10.411) 12.104 30.558 ( 4.501 3.010 -7.039) 8.881 32.639 ( 21.247 0.320 -21.583) 30.288 ======================= Grid point 151 (75/186) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( 1.310 5.763 9.923) 11.549 3.121 ( 4.605 -7.727 2.347) 9.296 3.294 ( 0.518 8.047 6.110) 10.117 3.722 ( -0.087 11.095 0.519) 11.107 4.060 ( -2.342 19.525 13.943) 24.107 4.293 ( 1.834 19.924 11.575) 23.115 4.704 ( -9.338 -1.970 19.552) 21.757 4.958 ( -1.634 1.337 42.637) 42.689 5.046 ( 0.191 -0.255 30.351) 30.353 5.398 ( -9.375 6.918 -7.707) 13.970 5.576 ( 3.706 2.703 -0.104) 4.588 5.636 ( -0.334 -5.503 3.425) 6.490 5.873 ( -0.598 -10.119 4.290) 11.006 6.183 ( -1.118 -1.854 0.344) 2.193 6.412 ( 0.740 3.981 -3.867) 5.599 6.690 ( 1.346 -1.578 20.816) 20.919 7.000 ( -1.299 9.895 1.326) 10.067 7.552 ( 13.284 4.113 -20.993) 25.181 7.705 ( 9.608 -1.140 -3.890) 10.428 7.795 ( -6.164 0.365 -5.738) 8.430 8.103 ( 8.096 2.530 3.562) 9.199 8.622 ( 7.448 -6.179 -0.288) 9.682 8.751 ( -4.066 2.516 -5.958) 7.639 8.943 ( -0.026 -1.194 -1.403) 1.842 9.373 ( -0.322 8.710 -4.144) 9.651 9.681 ( 9.236 5.167 -2.859) 10.962 9.929 ( 3.595 4.390 -14.372) 15.452 10.209 ( 2.320 -3.411 2.492) 4.819 10.421 ( 7.021 -6.699 -1.674) 9.847 10.702 ( -4.567 1.242 -3.625) 5.961 10.966 ( -1.235 -2.182 -4.905) 5.509 11.059 ( -3.242 -5.332 5.574) 8.367 11.559 ( 3.526 3.082 1.176) 4.829 12.337 ( -6.974 12.115 20.060) 24.451 12.738 ( -4.536 -6.969 -8.427) 11.839 13.175 ( 3.113 -3.405 -2.875) 5.436 13.507 ( -8.161 5.322 9.794) 13.815 13.925 ( 6.273 0.885 0.666) 6.370 14.703 ( 4.976 -4.303 -2.102) 6.906 14.896 ( -6.002 -20.594 5.427) 22.127 15.312 ( -7.765 4.005 12.759) 15.463 15.566 ( -8.918 -6.248 2.596) 11.194 16.105 ( -2.651 -5.543 7.837) 9.959 16.486 ( 4.613 -2.662 -20.111) 20.804 18.935 ( 6.477 9.267 -9.705) 14.900 19.496 ( 1.025 4.233 2.236) 4.895 21.176 ( 3.328 -2.211 -20.145) 20.537 21.512 ( 4.807 1.504 -10.122) 11.305 25.808 ( 0.933 -0.014 8.640) 8.690 25.982 ( -9.546 1.118 8.089) 12.562 26.499 ( -4.007 0.754 -12.996) 13.621 27.658 ( 3.357 -1.526 -12.907) 13.424 28.333 ( -6.458 4.950 8.944) 12.091 28.689 ( -0.092 -4.635 1.151) 4.777 29.258 ( 1.318 0.601 16.923) 16.985 29.518 ( 6.311 2.828 12.470) 14.259 29.814 ( -9.611 -5.266 4.556) 11.869 30.363 ( -6.199 -3.623 8.195) 10.896 30.535 ( 3.704 4.007 -5.195) 7.534 32.766 ( 15.755 2.387 -23.307) 28.234 ======================= Grid point 152 (76/186) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 3.758 4.697 13.328) 14.622 3.053 ( 2.716 18.445 -0.543) 18.652 3.351 ( -2.747 -4.541 6.418) 8.328 3.468 ( 1.156 23.174 -4.013) 23.547 3.805 ( -4.272 13.371 12.574) 18.846 4.166 ( 0.491 9.557 15.756) 18.435 4.679 ( -10.525 -0.472 21.912) 24.313 4.895 ( -13.966 8.178 10.211) 19.136 5.131 ( -7.000 0.333 27.150) 28.039 5.273 ( 0.307 3.859 12.051) 12.657 5.597 ( 6.697 5.127 8.099) 11.693 5.687 ( -3.212 -1.604 7.916) 8.692 5.912 ( -6.132 0.189 6.505) 8.942 6.203 ( -5.232 -2.133 -3.154) 6.471 6.424 ( 4.679 -7.981 -3.725) 9.973 6.760 ( -3.378 19.819 8.169) 21.701 6.851 ( 6.244 -1.243 15.270) 16.544 7.525 ( 3.417 1.333 -21.936) 22.240 7.625 ( -8.194 6.743 -0.493) 10.623 7.820 ( 7.564 0.801 -1.765) 7.809 8.069 ( 7.809 12.985 -0.728) 15.170 8.624 ( -6.638 2.410 -4.926) 8.610 8.798 ( 7.068 -1.836 -2.833) 7.833 8.995 ( 0.719 -4.220 3.599) 5.592 9.194 ( -4.104 7.662 -3.772) 9.475 9.778 ( 8.314 -0.976 0.999) 8.431 9.837 ( 5.758 7.607 -18.057) 20.422 10.347 ( 3.766 -6.993 3.325) 8.611 10.489 ( 1.922 6.394 -3.433) 7.508 10.654 ( -3.249 -6.098 -1.826) 7.147 10.914 ( -0.671 1.687 -5.934) 6.206 11.143 ( -0.844 -6.005 0.769) 6.113 11.563 ( 1.460 2.998 2.308) 4.056 12.101 ( -10.206 14.085 18.126) 25.122 12.699 ( -7.227 -6.972 -11.977) 15.629 13.357 ( 9.914 -7.711 -2.638) 12.834 13.450 ( -4.013 -1.744 6.154) 7.551 14.095 ( 10.988 -7.264 6.382) 14.637 14.809 ( 3.553 -4.057 -4.156) 6.808 15.062 ( -7.690 -14.929 2.516) 16.981 15.244 ( -2.456 3.767 17.312) 17.886 15.619 ( -7.365 -13.237 4.123) 15.700 16.228 ( 0.100 -8.173 13.459) 15.747 16.454 ( 1.544 -0.252 -26.670) 26.715 18.805 ( 0.476 9.180 -12.475) 15.496 19.459 ( 1.526 5.512 4.667) 7.382 21.165 ( 3.286 -1.711 -20.057) 20.396 21.503 ( 4.552 1.900 -11.905) 12.886 25.843 ( -5.032 -0.469 9.969) 11.177 25.915 ( -1.821 -0.822 5.193) 5.564 26.426 ( 3.481 2.031 -7.727) 8.715 27.664 ( 0.599 -2.583 -11.884) 12.176 28.243 ( -3.842 3.452 9.042) 10.413 28.749 ( -0.045 -3.838 -0.414) 3.860 29.300 ( -2.811 2.994 19.992) 20.409 29.617 ( -1.663 -2.064 12.698) 12.972 29.787 ( 1.199 -0.216 1.794) 2.168 30.346 ( -6.109 -1.259 5.404) 8.253 30.507 ( 2.382 3.846 -0.683) 4.575 32.786 ( 10.403 4.442 -26.749) 29.042 ======================= Grid point 153 (77/186) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 10.932 8.114 7.609) 15.596 2.828 ( 2.592 18.218 8.593) 20.309 2.958 ( -4.470 34.318 6.453) 35.204 3.443 ( -2.099 1.181 3.093) 3.920 3.724 ( -2.533 -2.257 6.913) 7.700 4.127 ( 0.594 5.389 10.957) 12.225 4.563 ( -3.349 16.314 2.041) 16.779 4.667 ( -22.015 -7.666 21.955) 32.023 5.079 ( -15.416 3.552 33.156) 36.737 5.253 ( -4.121 5.994 11.248) 13.395 5.590 ( 8.257 10.027 11.321) 17.230 5.758 ( -3.286 -2.943 6.100) 7.528 5.825 ( -3.863 2.655 10.145) 11.176 6.076 ( -12.056 0.190 -4.223) 12.776 6.495 ( 6.609 13.283 7.166) 16.476 6.647 ( 5.184 -1.571 1.965) 5.762 7.006 ( 9.318 -1.291 6.114) 11.219 7.403 ( -3.834 7.434 -10.817) 13.673 7.481 ( -5.660 -0.801 1.147) 5.830 7.849 ( 4.826 6.462 -0.108) 8.066 8.015 ( 10.433 8.419 -5.722) 14.576 8.494 ( -4.930 2.268 -4.940) 7.338 8.861 ( 1.973 -1.344 0.075) 2.389 8.949 ( -6.358 2.874 -2.248) 7.331 9.140 ( 1.096 -0.881 -1.938) 2.395 9.696 ( 6.097 16.249 -11.963) 21.078 9.879 ( 5.035 -1.434 0.184) 5.239 10.361 ( -2.174 8.236 -2.296) 8.822 10.527 ( 6.220 -8.991 2.809) 11.288 10.698 ( -1.026 -3.127 0.816) 3.391 10.853 ( -1.920 1.451 -9.272) 9.579 11.179 ( -0.098 -1.482 -11.245) 11.342 11.542 ( -3.088 0.875 10.802) 11.269 11.910 ( -5.225 7.290 15.557) 17.957 12.660 ( -2.864 -3.825 -15.056) 15.796 13.465 ( -5.018 -5.506 4.952) 8.945 13.579 ( 8.001 -8.943 -2.661) 12.291 14.336 ( 3.032 -6.018 5.526) 8.715 14.848 ( -0.699 -1.153 -5.514) 5.676 15.172 ( -6.097 -12.327 1.436) 13.827 15.370 ( 7.929 -9.062 21.722) 24.836 15.741 ( -6.248 -13.448 4.876) 15.610 16.248 ( -12.181 1.249 -11.164) 16.571 16.481 ( 11.078 -5.942 -3.695) 13.103 18.602 ( -6.194 8.401 -9.640) 14.208 19.422 ( 2.112 5.078 3.243) 6.384 21.151 ( 4.064 -0.849 -18.605) 19.062 21.483 ( 4.894 1.926 -14.630) 15.547 25.789 ( -7.508 -0.657 6.397) 9.886 25.964 ( -0.154 -1.714 8.435) 8.608 26.513 ( 16.948 0.040 -4.011) 17.416 27.645 ( -2.962 -3.343 -11.142) 12.004 28.219 ( -0.432 1.282 9.674) 9.768 28.786 ( -1.016 -2.806 -1.245) 3.233 29.257 ( -6.234 6.138 19.676) 21.533 29.570 ( -14.046 -3.446 7.148) 16.132 29.912 ( 12.610 1.012 4.961) 13.589 30.291 ( -4.422 1.396 2.727) 5.380 30.498 ( 3.368 3.081 5.410) 7.079 32.689 ( 5.111 7.660 -30.994) 32.333 ======================= Grid point 154 (78/186) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 6.839 33.238 3.131) 34.079 2.651 ( 6.829 18.676 10.896) 22.675 2.864 ( 5.034 -2.302 18.222) 19.044 3.367 ( 0.966 7.136 2.741) 7.705 3.794 ( -2.879 -7.134 2.784) 8.182 4.128 ( 3.072 2.027 7.001) 7.910 4.327 ( -6.026 7.429 4.479) 10.562 4.623 ( -10.887 -1.801 20.295) 23.101 4.916 ( -19.093 6.100 35.128) 40.444 5.141 ( -6.483 4.541 20.887) 22.336 5.586 ( 1.671 12.409 14.702) 19.312 5.674 ( 1.885 5.768 0.899) 6.135 5.883 ( -0.618 -2.572 8.943) 9.326 6.009 ( -4.147 -6.777 3.284) 8.597 6.451 ( 7.704 8.387 -1.952) 11.554 6.683 ( 5.164 5.398 -3.463) 8.234 7.125 ( 1.677 -0.733 -2.740) 3.295 7.209 ( -3.322 9.428 -2.758) 10.370 7.466 ( -5.124 -4.607 6.931) 9.774 7.806 ( 6.493 7.010 0.599) 9.574 8.052 ( 9.777 2.946 -4.922) 11.336 8.423 ( 1.178 0.417 -5.561) 5.700 8.831 ( -4.509 1.310 -4.769) 6.692 8.911 ( -0.018 -2.973 1.225) 3.216 9.157 ( 2.224 -1.506 -6.157) 6.718 9.448 ( 1.232 19.958 -3.377) 20.280 9.964 ( 7.478 1.199 -1.979) 7.828 10.213 ( -3.427 5.231 -1.184) 6.365 10.672 ( -4.690 2.918 -7.439) 9.266 10.759 ( 2.080 -2.939 -3.211) 4.825 10.776 ( 4.288 -5.674 4.166) 8.242 11.111 ( 0.118 2.598 -12.819) 13.080 11.535 ( -4.422 -0.332 8.436) 9.531 11.911 ( 0.979 -0.837 18.343) 18.388 12.606 ( 1.057 1.359 -15.102) 15.200 13.511 ( -8.462 -10.527 5.693) 14.657 13.776 ( 5.066 -9.034 -4.244) 11.193 14.357 ( -6.506 -0.147 2.711) 7.049 14.796 ( -4.227 0.436 -4.761) 6.382 15.247 ( -7.353 -9.119 1.517) 11.812 15.739 ( 3.633 -11.043 7.811) 14.006 15.850 ( -5.974 -10.106 4.359) 12.523 16.010 ( -6.895 1.503 -0.416) 7.070 16.667 ( 5.895 -3.464 -4.566) 8.222 18.382 ( -6.447 5.256 -1.341) 8.426 19.407 ( 3.623 2.923 -0.045) 4.656 21.152 ( 5.610 -0.473 -15.802) 16.775 21.457 ( 5.444 2.221 -17.241) 18.216 25.740 ( -5.562 -0.966 5.808) 8.100 26.025 ( -0.367 -2.417 11.501) 11.758 26.785 ( 23.858 -2.503 -8.194) 25.350 27.594 ( -5.730 -3.792 -10.837) 12.832 28.278 ( 2.351 -1.904 11.592) 11.980 28.785 ( -3.641 -1.718 -1.320) 4.237 29.149 ( -6.103 6.992 15.624) 18.173 29.461 ( -14.358 -3.040 6.623) 16.102 30.041 ( 5.847 0.690 3.965) 7.098 30.250 ( 0.094 0.376 3.220) 3.244 30.557 ( 7.180 3.274 8.817) 11.833 32.460 ( 2.412 13.419 -32.398) 35.150 ======================= Grid point 158 (79/186) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 4.268 0.000 3.611) 5.591 2.874 ( -1.356 -0.000 18.869) 18.918 3.419 ( 1.200 0.000 1.472) 1.899 3.922 ( -1.460 -0.000 11.023) 11.119 4.226 ( -0.056 -0.000 10.250) 10.250 4.662 ( -17.996 -0.000 41.320) 45.069 4.808 ( -1.375 -0.000 0.257) 1.399 4.950 ( 2.082 0.000 47.867) 47.913 5.205 ( -1.825 -0.000 21.433) 21.511 5.287 ( 13.248 0.000 3.874) 13.803 5.592 ( -10.452 -0.000 -10.286) 14.664 5.593 ( 5.706 0.000 -7.181) 9.173 5.691 ( 2.995 0.000 -3.075) 4.293 6.150 ( -3.200 -0.000 7.026) 7.721 6.468 ( -4.667 -0.000 -7.892) 9.169 6.667 ( -0.495 -0.000 22.365) 22.371 7.187 ( 9.139 0.000 -2.218) 9.404 7.673 ( 9.451 0.000 -6.976) 11.747 7.707 ( 2.947 0.000 -26.964) 27.125 7.711 ( 10.706 0.000 -5.455) 12.015 8.027 ( 21.863 0.000 11.136) 24.535 8.578 ( 4.040 0.000 1.029) 4.169 8.838 ( -3.853 -0.000 -0.923) 3.962 8.869 ( 1.433 0.000 -10.716) 10.811 9.578 ( -6.366 -0.000 1.764) 6.606 9.687 ( 15.523 0.000 -14.983) 21.575 9.985 ( 1.120 0.000 -10.646) 10.704 10.282 ( 7.410 0.000 5.422) 9.182 10.403 ( -9.045 -0.000 6.084) 10.901 10.599 ( 12.067 0.000 -4.602) 12.915 10.804 ( -6.222 -0.000 -3.279) 7.033 11.044 ( -6.921 -0.000 1.527) 7.087 11.611 ( 1.934 0.000 1.626) 2.527 12.500 ( -2.267 -0.000 16.576) 16.730 12.614 ( -1.594 -0.000 -5.897) 6.108 13.140 ( -5.683 -0.000 -6.097) 8.335 13.720 ( -11.858 -0.000 7.025) 13.782 14.051 ( 2.128 0.000 17.943) 18.069 14.368 ( -2.932 -0.000 3.573) 4.622 14.655 ( 7.190 0.000 -4.374) 8.416 15.330 ( -12.823 -0.000 8.725) 15.509 15.532 ( -7.421 -0.000 2.657) 7.882 16.009 ( -4.713 -0.000 7.498) 8.857 16.447 ( 6.716 0.000 -19.995) 21.093 19.083 ( 5.986 0.000 -11.982) 13.394 19.563 ( 1.699 0.000 3.249) 3.667 21.133 ( 3.725 0.000 -22.575) 22.881 21.534 ( 4.151 0.000 -7.599) 8.659 25.806 ( -0.628 -0.000 8.544) 8.567 25.998 ( -11.423 -0.000 8.664) 14.337 26.514 ( -1.254 -0.000 -13.952) 14.008 27.638 ( 3.516 0.000 -14.358) 14.782 28.465 ( -7.744 -0.000 11.950) 14.239 28.558 ( -0.912 -0.000 -1.176) 1.488 29.271 ( 4.015 0.000 15.512) 16.023 29.628 ( 8.827 0.000 8.476) 12.238 29.657 ( -12.739 -0.000 11.888) 17.424 30.309 ( -4.329 -0.000 10.334) 11.204 30.597 ( 3.709 0.000 -9.328) 10.039 32.799 ( 16.372 0.000 -21.838) 27.294 ======================= Grid point 159 (80/186) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 1.597 7.177 12.506) 14.507 3.031 ( -0.398 -10.222 11.770) 15.594 3.379 ( -3.464 4.295 -0.001) 5.518 3.870 ( -1.047 8.575 7.427) 11.392 4.238 ( -5.576 3.425 14.008) 15.461 4.525 ( -22.269 -2.152 25.388) 33.839 4.659 ( -0.765 19.531 11.269) 22.562 5.112 ( 0.352 5.341 22.566) 23.192 5.197 ( -5.974 3.326 21.172) 22.249 5.383 ( 1.162 4.135 9.607) 10.524 5.573 ( -0.642 -8.438 4.253) 9.471 5.695 ( 10.076 0.168 -0.173) 10.079 5.749 ( 0.887 -6.360 1.998) 6.725 6.144 ( -3.189 -1.059 5.156) 6.154 6.331 ( -8.848 0.240 -8.059) 11.971 6.794 ( 4.278 -1.862 18.268) 18.854 7.204 ( 5.194 8.665 -1.075) 10.159 7.596 ( 3.129 3.071 -26.234) 26.598 7.694 ( -6.145 -0.388 -3.365) 7.017 7.786 ( 7.922 -1.495 -4.655) 9.309 8.421 ( 25.172 8.689 4.811) 27.061 8.672 ( 8.541 -3.032 -1.825) 9.245 8.730 ( -1.451 3.560 -2.191) 4.425 8.892 ( -0.084 -4.184 -3.619) 5.533 9.456 ( -2.547 7.675 0.873) 8.134 9.802 ( 4.771 3.880 -9.315) 11.162 9.933 ( 3.209 -3.723 -13.318) 14.196 10.249 ( -4.849 2.777 6.306) 8.425 10.411 ( 4.375 -4.350 1.675) 6.393 10.691 ( -0.395 3.349 -7.797) 8.495 10.860 ( 4.841 -9.969 1.251) 11.153 10.961 ( -6.687 -0.732 0.959) 6.795 11.626 ( 1.240 1.386 1.282) 2.259 12.434 ( -9.706 6.761 7.664) 14.095 12.538 ( -9.081 -3.448 -0.141) 9.714 13.185 ( 8.752 -4.101 -1.401) 9.767 13.565 ( -5.748 8.125 8.431) 13.044 14.061 ( 4.626 5.906 10.027) 12.523 14.538 ( -4.931 -18.673 8.898) 21.264 14.750 ( 6.326 -2.929 -2.805) 7.515 15.248 ( -7.427 -4.565 4.711) 9.909 15.465 ( -3.760 2.851 7.205) 8.613 16.013 ( -5.861 -5.675 11.624) 14.201 16.437 ( 5.059 -0.572 -25.782) 26.280 19.032 ( 1.670 5.389 -16.937) 17.851 19.588 ( 1.892 2.930 6.623) 7.485 21.103 ( 4.032 -1.900 -24.376) 24.780 21.542 ( 2.716 0.768 -7.356) 7.879 25.825 ( -4.113 -0.604 9.639) 10.497 25.897 ( -7.204 -0.302 5.525) 9.083 26.483 ( 5.619 1.486 -10.561) 12.054 27.621 ( 1.937 -0.710 -14.219) 14.368 28.365 ( -6.229 4.974 10.112) 12.876 28.605 ( -0.662 -5.825 0.553) 5.888 29.369 ( 1.877 1.677 17.768) 17.945 29.568 ( -8.038 -0.993 11.099) 13.740 29.779 ( 6.778 -0.707 10.321) 12.368 30.302 ( -4.383 -1.192 8.855) 9.952 30.588 ( 2.773 1.805 -8.532) 9.151 32.867 ( 9.915 1.553 -23.422) 25.482 ======================= Grid point 160 (81/186) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 0.988 4.172 16.191) 16.749 3.153 ( -2.477 1.259 -4.561) 5.341 3.281 ( -3.242 -3.834 9.434) 10.687 3.743 ( 1.464 12.522 -1.821) 12.738 4.033 ( -9.863 19.135 16.298) 27.001 4.412 ( -22.026 -9.632 13.087) 27.371 4.435 ( -1.112 17.772 19.797) 26.628 4.939 ( -5.169 11.642 -5.063) 13.707 5.189 ( -9.198 2.550 28.718) 30.263 5.407 ( -0.041 6.231 22.619) 23.462 5.656 ( -0.791 -1.901 9.610) 9.828 5.798 ( 2.777 1.310 10.558) 10.996 5.845 ( -1.183 -3.194 4.755) 5.849 6.079 ( -8.942 2.015 -3.661) 9.871 6.318 ( 3.627 -10.459 -1.856) 11.225 6.922 ( 1.784 0.865 14.531) 14.665 7.132 ( 6.075 9.878 3.594) 12.141 7.477 ( 1.548 4.679 -20.936) 21.508 7.579 ( -7.337 2.698 -3.019) 8.380 7.880 ( 5.466 -1.952 -2.870) 6.475 8.409 ( 6.775 16.269 0.268) 17.626 8.555 ( -4.224 4.575 -6.548) 9.036 8.871 ( 6.880 0.203 -6.842) 9.705 8.983 ( 3.050 -1.068 5.604) 6.469 9.283 ( -0.960 10.999 1.114) 11.097 9.796 ( 5.873 -1.858 -3.662) 7.167 10.003 ( 9.174 2.426 -14.127) 17.018 10.278 ( -1.839 -7.914 5.366) 9.737 10.508 ( -1.728 -7.377 -4.017) 8.576 10.605 ( 3.429 6.821 -6.414) 9.971 10.898 ( -1.239 0.242 -4.720) 4.886 11.006 ( -3.700 -7.934 2.664) 9.150 11.600 ( -3.377 2.427 3.475) 5.419 12.208 ( -10.192 11.333 10.681) 18.612 12.494 ( -5.221 -5.338 -1.693) 7.656 13.375 ( 8.102 -5.532 -1.205) 9.884 13.465 ( 0.602 4.148 3.268) 5.315 14.137 ( 2.777 -3.264 9.934) 10.819 14.742 ( 0.837 -12.226 1.651) 12.365 14.850 ( -0.767 -5.963 3.953) 7.195 15.306 ( -0.982 -6.039 7.506) 9.684 15.431 ( -1.453 0.022 9.318) 9.430 16.104 ( -6.226 -9.661 10.482) 15.555 16.395 ( 5.154 -0.895 -26.312) 26.827 18.863 ( -1.599 9.085 -16.734) 19.108 19.575 ( 0.929 5.093 5.734) 7.725 21.094 ( 4.543 -2.831 -23.999) 24.589 21.527 ( 2.364 1.158 -8.939) 9.319 25.766 ( -8.913 -0.845 6.305) 10.950 25.905 ( -1.255 -2.067 7.604) 7.979 26.544 ( 13.941 1.791 -7.202) 15.794 27.591 ( 0.027 -1.047 -13.982) 14.022 28.282 ( -3.811 3.213 10.020) 11.191 28.677 ( -0.495 -5.055 -0.336) 5.091 29.391 ( -4.678 2.731 19.050) 19.806 29.531 ( -6.474 0.950 10.112) 12.044 29.933 ( 10.388 -0.710 10.296) 14.643 30.294 ( -4.129 -0.755 7.004) 8.165 30.558 ( 1.125 1.924 -4.232) 4.783 32.822 ( 3.599 2.978 -26.322) 26.734 ======================= Grid point 161 (82/186) ======================= q-point: (-0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -1.994 0.166 11.718) 11.888 2.982 ( -4.971 7.306 -4.509) 9.921 3.389 ( 2.281 11.523 5.272) 12.876 3.506 ( 2.036 10.740 -2.488) 11.211 3.753 ( -7.613 9.411 14.555) 18.931 4.226 ( -15.061 2.846 1.890) 15.443 4.366 ( -10.298 0.271 27.167) 29.055 4.728 ( -0.081 10.380 -0.991) 10.427 5.081 ( -15.822 5.702 26.880) 31.708 5.343 ( -5.566 8.436 16.628) 19.459 5.683 ( -4.969 -1.298 10.485) 11.675 5.810 ( -6.471 -2.151 15.975) 17.370 5.905 ( 8.572 5.038 7.933) 12.719 5.945 ( -4.874 1.660 0.279) 5.157 6.529 ( 4.352 -8.146 -3.596) 9.911 6.923 ( 2.991 9.785 19.057) 21.630 7.117 ( -0.339 1.053 -3.351) 3.528 7.368 ( 3.058 6.317 -11.996) 13.899 7.442 ( -5.273 2.100 1.999) 6.017 7.954 ( 5.376 0.415 -0.820) 5.454 8.261 ( 1.059 8.154 -5.767) 10.043 8.438 ( 1.860 6.039 -8.595) 10.668 8.831 ( -6.248 5.339 -2.134) 8.491 8.961 ( 1.850 -0.293 -1.278) 2.267 9.217 ( 3.120 7.938 4.397) 9.596 9.886 ( 9.518 3.642 -13.145) 16.633 9.985 ( 4.608 5.723 0.648) 7.376 10.423 ( 0.516 -10.093 3.315) 10.636 10.480 ( 1.502 6.405 -8.562) 10.798 10.592 ( -1.621 -5.650 -2.483) 6.381 10.832 ( -2.480 3.151 -7.138) 8.187 11.068 ( -2.239 -7.579 -4.802) 9.248 11.529 ( -7.029 0.621 10.665) 12.788 11.989 ( -7.996 8.197 12.703) 17.102 12.545 ( 2.780 -4.911 -5.652) 7.987 13.404 ( -1.816 1.062 -0.185) 2.112 13.571 ( 7.927 -5.099 -2.551) 9.765 14.224 ( -7.821 -6.399 9.133) 13.621 14.823 ( -1.362 0.647 -0.573) 1.613 15.025 ( 4.145 -11.565 4.035) 12.931 15.419 ( 0.059 -6.700 14.770) 16.219 15.543 ( 3.882 -7.860 8.300) 12.073 16.076 ( -8.936 -0.938 -10.867) 14.101 16.490 ( 8.773 -8.362 -6.931) 13.962 18.623 ( -4.620 10.953 -11.883) 16.808 19.525 ( 0.371 5.172 2.467) 5.742 21.107 ( 5.596 -2.830 -21.666) 22.555 21.503 ( 2.944 1.181 -11.526) 11.955 25.703 ( -6.850 -1.508 5.028) 8.630 25.951 ( -1.932 -2.743 9.028) 9.631 26.736 ( 21.047 -0.754 -6.848) 22.146 27.537 ( -1.965 -0.872 -13.621) 13.790 28.264 ( -1.123 0.594 10.645) 10.720 28.720 ( -1.610 -3.092 -0.835) 3.585 29.345 ( -8.235 2.868 19.895) 21.722 29.435 ( -7.553 5.028 8.691) 12.564 30.105 ( 10.408 2.055 4.752) 11.624 30.273 ( -3.064 0.395 5.275) 6.113 30.564 ( 1.991 -1.593 4.762) 5.402 32.677 ( -0.713 4.130 -29.491) 29.787 ======================= Grid point 162 (83/186) ======================= q-point: (-0.12 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -7.659 -0.984 -11.011) 13.449 2.836 ( -2.589 10.855 6.808) 13.072 3.078 ( 4.364 20.644 12.767) 24.662 3.585 ( 6.998 4.753 5.514) 10.098 3.683 ( -3.676 -4.570 5.961) 8.363 4.019 ( -14.078 -4.273 -8.325) 16.904 4.351 ( -3.326 5.704 29.464) 30.194 4.672 ( 2.269 1.391 6.393) 6.925 4.885 ( -17.785 5.136 30.100) 35.337 5.256 ( -2.334 5.662 22.579) 23.395 5.630 ( -6.957 1.761 4.500) 8.471 5.848 ( -5.752 -3.894 15.604) 17.081 5.896 ( -1.003 1.121 1.086) 1.856 5.986 ( 9.849 7.143 14.047) 18.583 6.549 ( 0.459 4.232 -9.611) 10.512 6.905 ( -1.587 7.016 18.973) 20.290 7.057 ( -3.361 -0.289 -5.838) 6.743 7.249 ( -2.179 4.667 -7.227) 8.875 7.450 ( 4.178 0.529 2.104) 4.707 7.994 ( 7.525 5.203 1.823) 9.329 8.188 ( 0.939 1.192 -9.755) 9.872 8.394 ( 5.881 0.630 -8.638) 10.469 8.721 ( -4.335 -2.400 0.960) 5.048 8.966 ( 0.532 5.746 1.187) 5.891 9.150 ( 0.231 2.398 -0.174) 2.416 9.728 ( 2.951 17.831 -12.306) 21.865 10.050 ( 4.269 -0.241 3.500) 5.525 10.324 ( 2.530 12.095 -4.708) 13.223 10.538 ( -4.946 -4.624 -9.342) 11.538 10.656 ( -2.229 -8.199 -2.253) 8.790 10.797 ( 3.907 -4.191 2.885) 6.415 11.097 ( 1.838 -0.651 -10.348) 10.531 11.486 ( -6.983 -1.010 7.851) 10.555 11.935 ( -4.180 -3.147 17.867) 18.618 12.621 ( 7.487 0.342 -7.082) 10.312 13.357 ( -4.568 -0.632 -0.038) 4.612 13.718 ( 4.898 -5.958 -3.886) 8.637 14.177 ( -15.124 -4.041 5.491) 16.590 14.760 ( -3.755 2.662 1.071) 4.727 15.181 ( 3.576 -2.036 4.429) 6.046 15.535 ( -11.418 -10.056 9.476) 17.925 15.744 ( 2.743 -3.414 -2.580) 5.083 16.003 ( 4.701 -4.839 2.738) 7.281 16.670 ( 6.497 -4.262 -8.543) 11.548 18.400 ( -3.086 7.033 -2.172) 7.982 19.477 ( 1.083 2.903 -1.531) 3.456 21.144 ( 6.763 -2.446 -18.060) 19.440 21.479 ( 3.886 1.235 -14.181) 14.755 25.677 ( -4.278 -1.976 5.173) 6.997 26.007 ( -2.206 -3.713 10.727) 11.564 26.984 ( 17.650 -1.645 -13.168) 22.082 27.475 ( -0.410 -1.157 -11.595) 11.660 28.321 ( 1.068 -2.248 12.058) 12.312 28.708 ( -4.412 -0.822 0.099) 4.489 29.259 ( -6.204 8.149 20.349) 22.782 29.309 ( -8.929 0.292 5.494) 10.488 30.141 ( 2.346 4.524 1.289) 5.257 30.266 ( -0.033 -0.436 4.238) 4.261 30.681 ( 4.501 -1.605 9.845) 10.944 32.483 ( 0.962 5.401 -30.378) 30.869 ======================= Grid point 167 (84/186) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.941 ( 5.254 0.000 4.629) 7.002 2.947 ( -5.887 -0.000 23.883) 24.598 3.330 ( -8.524 -0.000 -1.996) 8.755 3.952 ( -3.698 -0.000 12.175) 12.724 4.181 ( -9.840 -0.000 3.125) 10.324 4.270 ( -24.503 -0.000 18.400) 30.643 4.872 ( -2.227 -0.000 25.562) 25.658 5.135 ( -8.562 -0.000 2.953) 9.057 5.356 ( -4.414 -0.000 2.633) 5.139 5.381 ( 0.574 0.000 32.749) 32.754 5.544 ( -0.223 -0.000 20.977) 20.978 5.744 ( 1.947 0.000 -0.492) 2.008 5.807 ( 8.453 0.000 -4.126) 9.406 6.105 ( -5.523 -0.000 5.411) 7.732 6.213 ( -4.698 -0.000 -2.777) 5.457 6.900 ( 4.400 0.000 15.055) 15.684 7.234 ( -4.394 -0.000 -11.577) 12.383 7.589 ( -8.710 -0.000 0.944) 8.761 7.605 ( 10.070 0.000 -25.131) 27.073 7.842 ( 5.781 0.000 -5.286) 7.834 8.665 ( 0.777 0.000 -6.258) 6.306 8.725 ( -5.827 -0.000 6.742) 8.911 8.818 ( 1.014 0.000 -9.065) 9.121 8.963 ( 31.514 0.000 7.815) 32.468 9.520 ( -1.097 -0.000 7.679) 7.757 9.863 ( -0.008 -0.000 -7.074) 7.074 9.870 ( 9.181 0.000 -17.754) 19.988 10.144 ( -13.651 -0.000 11.077) 17.580 10.380 ( -1.859 -0.000 -5.145) 5.471 10.683 ( 2.131 0.000 -6.651) 6.984 10.868 ( -6.461 -0.000 -2.299) 6.858 10.934 ( 9.202 0.000 -0.072) 9.203 11.638 ( -1.869 -0.000 1.825) 2.613 12.332 ( -5.439 -0.000 -5.223) 7.541 12.461 ( -10.538 -0.000 12.887) 16.647 13.278 ( 11.218 0.000 -2.106) 11.414 13.604 ( -2.372 -0.000 6.047) 6.496 14.245 ( -1.972 -0.000 25.459) 25.536 14.333 ( -1.721 -0.000 4.049) 4.399 14.798 ( 5.158 0.000 -2.606) 5.779 15.166 ( 0.524 0.000 0.838) 0.988 15.517 ( 0.791 0.000 11.237) 11.265 15.922 ( -7.125 -0.000 9.629) 11.978 16.383 ( 3.331 0.000 -27.465) 27.666 19.007 ( -0.021 -0.000 -18.324) 18.324 19.654 ( 0.446 0.000 6.991) 7.006 21.043 ( 5.060 0.000 -27.320) 27.784 21.544 ( 1.146 0.000 -6.332) 6.435 25.752 ( -9.428 -0.000 6.189) 11.278 25.873 ( -1.685 -0.000 7.269) 7.462 26.577 ( 13.139 0.000 -9.249) 16.068 27.577 ( 0.957 0.000 -14.949) 14.980 28.357 ( -7.522 -0.000 11.067) 13.381 28.569 ( 1.972 0.000 0.523) 2.040 29.421 ( -6.827 -0.000 12.258) 14.031 29.570 ( 2.801 0.000 16.888) 17.119 29.899 ( 4.176 0.000 14.251) 14.850 30.278 ( -3.690 -0.000 8.581) 9.341 30.594 ( 2.062 0.000 -9.611) 9.829 32.865 ( 2.904 0.000 -24.793) 24.963 ======================= Grid point 168 (85/186) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -6.333 5.957 17.684) 19.706 3.112 ( 1.954 -3.942 0.874) 4.486 3.178 ( -11.269 -3.162 4.923) 12.698 3.854 ( -8.188 6.335 1.205) 10.422 3.966 ( -23.917 -0.673 11.577) 26.580 4.187 ( -5.220 -1.903 11.807) 13.049 4.770 ( -3.815 21.134 17.531) 27.723 5.016 ( -5.637 6.211 7.265) 11.097 5.202 ( -10.901 5.197 23.972) 26.842 5.530 ( -7.900 0.545 8.928) 11.934 5.606 ( -6.685 -6.224 24.219) 25.884 5.763 ( -1.399 -0.368 4.485) 4.712 5.865 ( 1.563 0.200 -2.416) 2.885 6.086 ( 2.278 1.605 8.366) 8.818 6.240 ( 3.850 -6.973 0.426) 7.977 7.006 ( 2.109 0.248 11.827) 12.016 7.096 ( -8.242 -1.901 -13.889) 16.262 7.472 ( -9.477 0.420 1.220) 9.565 7.612 ( 9.175 5.250 -17.749) 20.659 7.898 ( 4.985 -1.845 -6.507) 8.402 8.534 ( -6.507 11.201 1.026) 12.995 8.638 ( -1.096 3.852 -3.633) 5.407 8.856 ( 1.718 -5.155 -5.021) 7.399 9.184 ( 6.614 14.529 5.048) 16.743 9.456 ( 2.379 7.700 5.665) 9.850 9.876 ( 8.928 0.184 -1.780) 9.106 9.959 ( 2.011 -8.092 -12.220) 14.793 10.163 ( -0.543 -8.824 5.861) 10.607 10.352 ( -3.353 -5.656 -9.559) 11.602 10.695 ( 4.719 2.369 -6.786) 8.598 10.804 ( -3.634 -3.735 -2.574) 5.813 10.958 ( -2.011 2.556 -3.262) 4.606 11.581 ( -7.027 2.124 4.595) 8.661 12.257 ( -7.653 7.786 5.557) 12.250 12.405 ( 1.369 -4.641 2.593) 5.490 13.418 ( 8.265 -1.451 -3.057) 8.931 13.569 ( 1.835 4.862 3.522) 6.278 14.194 ( -2.313 5.645 15.635) 16.783 14.549 ( -0.600 -17.965 14.310) 22.975 14.841 ( 1.042 -0.151 2.162) 2.405 15.265 ( 7.828 -3.800 2.168) 8.968 15.557 ( 3.856 4.487 13.473) 14.715 15.930 ( -5.089 -7.327 1.363) 9.025 16.322 ( 2.256 -2.671 -22.761) 23.027 18.891 ( -0.588 6.351 -16.636) 17.817 19.650 ( -1.674 2.900 5.336) 6.300 21.021 ( 6.063 -2.435 -27.665) 28.426 21.525 ( 0.779 0.401 -7.144) 7.198 25.669 ( -7.456 -0.761 4.345) 8.663 25.890 ( -2.088 -1.316 8.146) 8.511 26.737 ( 18.352 0.418 -8.840) 20.375 27.525 ( -0.101 -0.178 -15.194) 15.195 28.298 ( -5.533 1.390 10.467) 11.921 28.626 ( 2.031 -2.802 0.897) 3.575 29.361 ( -8.122 0.294 9.978) 12.869 29.649 ( 2.226 7.253 20.755) 22.098 30.039 ( 5.108 -5.773 13.814) 15.819 30.271 ( -3.337 -0.312 8.493) 9.131 30.565 ( 0.281 1.392 -7.552) 7.684 32.746 ( -3.676 1.198 -27.439) 27.710 ======================= Grid point 169 (86/186) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -16.337 2.430 3.474) 16.878 3.003 ( -5.835 3.699 4.482) 8.235 3.335 ( -2.304 -13.556 6.709) 15.300 3.558 ( -21.952 4.923 -1.247) 22.531 3.802 ( -3.534 5.914 6.265) 9.311 4.180 ( -2.226 7.533 13.644) 15.743 4.472 ( -6.564 13.684 14.770) 21.177 4.857 ( -12.257 7.173 13.312) 19.465 5.084 ( -6.805 8.723 20.468) 23.267 5.417 ( -7.948 3.004 9.040) 12.407 5.637 ( -9.526 -1.154 20.405) 22.548 5.749 ( -5.481 -0.530 9.294) 10.803 5.864 ( -1.135 -1.764 2.511) 3.271 6.159 ( 7.357 3.785 14.002) 16.264 6.448 ( 5.437 -10.233 -2.598) 11.876 6.919 ( -13.559 -3.190 -6.889) 15.540 7.096 ( 2.796 1.211 6.940) 7.579 7.350 ( -9.564 0.129 -1.516) 9.684 7.569 ( 6.536 7.040 -7.331) 12.084 7.969 ( 2.892 -4.900 -7.935) 9.764 8.298 ( -3.277 12.169 1.152) 12.655 8.548 ( -1.923 3.207 -6.079) 7.137 8.897 ( -0.664 11.109 -5.961) 12.625 8.969 ( 1.026 2.325 0.279) 2.556 9.412 ( 0.223 9.338 8.948) 12.935 9.950 ( -1.084 -3.007 -19.509) 19.769 10.039 ( 6.229 -0.650 6.928) 9.339 10.300 ( -2.133 -9.139 -0.951) 9.433 10.420 ( 8.049 -6.322 -10.474) 14.645 10.645 ( 1.209 6.055 -4.034) 7.375 10.814 ( -3.966 4.202 -3.846) 6.940 10.911 ( 0.524 -9.173 -1.394) 9.293 11.471 ( -9.919 0.720 9.544) 13.784 12.022 ( -11.235 8.074 5.685) 14.958 12.573 ( 11.834 -3.167 -0.483) 12.260 13.435 ( 1.839 4.409 -3.223) 5.763 13.617 ( 6.862 -1.322 -1.502) 7.148 14.144 ( -6.410 3.555 14.651) 16.382 14.814 ( -2.097 -2.509 5.058) 6.023 14.899 ( 1.176 -13.845 14.755) 20.268 15.409 ( 5.869 -0.455 2.675) 6.466 15.658 ( 9.742 0.142 13.833) 16.920 15.916 ( -3.472 -3.090 -14.528) 15.254 16.415 ( 5.706 -11.711 -7.097) 14.835 18.692 ( -1.870 11.395 -11.893) 16.577 19.584 ( -2.856 4.130 2.351) 5.544 21.046 ( 7.225 -4.142 -25.260) 26.597 21.500 ( 1.430 0.418 -9.293) 9.412 25.624 ( -4.679 -1.611 4.004) 6.366 25.919 ( -2.685 -2.484 8.789) 9.520 26.945 ( 18.521 -0.902 -11.449) 21.792 27.465 ( 0.385 0.047 -14.012) 14.017 28.279 ( -3.283 -0.843 10.420) 10.958 28.679 ( 0.736 -1.212 1.130) 1.813 29.294 ( -7.418 0.595 9.562) 12.116 29.578 ( -3.758 12.451 21.061) 24.753 30.239 ( 4.793 -1.579 3.241) 5.997 30.272 ( -0.555 0.526 9.456) 9.487 30.547 ( -0.057 -4.392 3.356) 5.528 32.548 ( -6.449 0.268 -30.142) 30.825 ======================= Grid point 170 (87/186) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -19.496 -4.121 -9.628) 22.131 2.903 ( -8.751 2.443 11.115) 14.356 3.232 ( -16.671 -1.227 2.449) 16.894 3.530 ( -0.634 -9.567 3.571) 10.231 3.700 ( -1.073 8.864 -0.920) 8.976 4.007 ( 2.488 15.418 7.724) 17.423 4.472 ( -1.821 -3.994 28.021) 28.363 4.645 ( -18.887 1.040 18.508) 26.464 4.985 ( 3.719 11.637 13.959) 18.550 5.356 ( -3.385 1.786 13.703) 14.228 5.578 ( -10.387 1.060 16.233) 19.301 5.729 ( -8.432 -4.391 10.097) 13.868 5.902 ( -0.122 -1.595 4.216) 4.509 6.261 ( 7.893 5.296 15.687) 18.342 6.545 ( 0.362 -0.567 -8.329) 8.356 6.773 ( -15.890 -3.658 5.393) 17.174 7.133 ( 1.716 1.689 6.700) 7.120 7.218 ( -4.852 0.896 -9.454) 10.664 7.547 ( 4.643 3.530 -2.227) 6.243 7.997 ( -8.847 -7.882 -8.498) 14.581 8.179 ( 6.581 8.428 -2.149) 10.906 8.484 ( 1.810 0.833 -4.782) 5.181 8.701 ( -0.854 5.212 -3.502) 6.337 9.029 ( 3.065 -0.087 -0.163) 3.071 9.265 ( -3.550 11.810 7.948) 14.671 9.827 ( -4.280 3.850 -16.899) 17.852 10.084 ( -0.874 1.422 -1.718) 2.395 10.439 ( 3.765 -10.125 -1.642) 10.926 10.494 ( 4.514 3.816 -9.589) 11.264 10.522 ( -2.798 7.307 0.899) 7.876 10.803 ( 5.369 -4.036 0.149) 6.718 11.043 ( 3.876 -6.405 -7.220) 10.401 11.395 ( -9.074 -1.566 8.128) 12.283 11.879 ( -8.174 -1.729 13.276) 15.686 12.746 ( 13.006 0.387 -3.224) 13.405 13.366 ( 1.226 5.710 -5.380) 7.941 13.713 ( 5.459 -2.462 -3.864) 7.127 14.028 ( -11.490 5.041 12.893) 17.991 14.778 ( -2.642 3.109 6.352) 7.549 15.140 ( -3.105 -10.548 13.447) 17.370 15.447 ( 2.399 2.398 4.518) 5.650 15.731 ( 1.102 1.596 -11.834) 11.992 16.021 ( 9.224 -7.877 8.522) 14.824 16.638 ( 7.835 -8.624 -8.715) 14.551 18.480 ( -1.044 9.561 -2.545) 9.949 19.500 ( -2.593 2.713 -1.353) 3.989 21.113 ( 8.097 -4.395 -21.199) 23.115 21.478 ( 2.443 0.321 -11.949) 12.200 25.627 ( -1.785 -2.176 4.699) 5.477 25.961 ( -3.205 -3.626 9.638) 10.785 27.049 ( 3.504 0.438 -19.200) 19.522 27.478 ( 9.863 -0.893 -9.343) 13.615 28.317 ( -2.630 -3.636 10.245) 11.184 28.681 ( -0.985 1.613 3.151) 3.674 29.243 ( -4.537 0.503 8.522) 9.668 29.412 ( -6.906 12.190 20.003) 24.421 30.226 ( -1.087 6.173 -0.832) 6.323 30.265 ( -1.316 -1.334 5.287) 5.610 30.708 ( 1.682 -5.715 10.261) 11.865 32.393 ( 0.279 -2.867 -30.156) 30.293 ======================= Grid point 176 (88/186) ======================= q-point: (-0.38 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( -16.649 -0.000 20.235) 26.204 2.924 ( -21.031 -0.000 2.685) 21.202 3.132 ( 4.037 0.000 1.079) 4.178 3.595 ( -23.306 -0.000 0.730) 23.317 3.918 ( -5.788 -0.000 10.918) 12.358 4.158 ( -2.415 -0.000 9.538) 9.839 4.894 ( -12.238 -0.000 14.651) 19.090 5.026 ( -15.711 -0.000 24.721) 29.291 5.219 ( -7.652 -0.000 5.904) 9.665 5.320 ( -10.790 -0.000 15.589) 18.959 5.602 ( -8.886 -0.000 29.435) 30.747 5.760 ( -0.286 -0.000 -1.014) 1.054 5.912 ( 3.033 0.000 -4.508) 5.433 6.183 ( 5.037 0.000 15.246) 16.056 6.240 ( 4.873 0.000 -0.700) 4.923 6.863 ( -13.364 -0.000 -15.680) 20.602 7.105 ( 3.309 0.000 12.122) 12.565 7.337 ( -12.571 -0.000 1.257) 12.634 7.662 ( 5.295 0.000 -18.489) 19.232 7.906 ( 3.420 0.000 -11.349) 11.853 8.555 ( -9.916 -0.000 3.131) 10.399 8.627 ( 1.483 0.000 -5.459) 5.657 8.793 ( 0.662 0.000 -2.364) 2.455 9.410 ( -3.587 -0.000 12.708) 13.204 9.480 ( -4.426 -0.000 0.826) 4.503 9.800 ( -3.447 -0.000 -17.689) 18.022 9.999 ( 7.156 0.000 5.889) 9.268 10.197 ( 12.566 0.000 4.453) 13.332 10.213 ( -3.685 -0.000 -14.284) 14.751 10.730 ( 0.338 0.000 -7.375) 7.383 10.765 ( 6.939 0.000 -4.468) 8.253 10.921 ( -4.953 -0.000 -2.032) 5.354 11.502 ( -11.298 -0.000 6.109) 12.844 12.177 ( -14.427 -0.000 -0.525) 14.436 12.501 ( 15.196 0.000 2.936) 15.477 13.510 ( 8.645 0.000 -3.820) 9.452 13.631 ( 2.014 0.000 -1.130) 2.309 14.349 ( -0.557 -0.000 5.570) 5.598 14.430 ( 0.322 0.000 37.592) 37.594 14.864 ( -0.619 -0.000 7.177) 7.204 15.402 ( 13.400 0.000 4.587) 14.163 15.730 ( 8.841 0.000 14.093) 16.637 15.817 ( -0.984 -0.000 -9.078) 9.131 16.212 ( -1.738 -0.000 -19.028) 19.108 18.878 ( 0.749 0.000 -15.091) 15.110 19.652 ( -4.206 -0.000 4.959) 6.503 20.973 ( 7.238 0.000 -29.257) 30.139 21.506 ( 0.372 0.000 -7.162) 7.172 25.600 ( -4.807 -0.000 3.431) 5.906 25.882 ( -2.718 -0.000 8.266) 8.701 26.934 ( 17.966 0.000 -11.847) 21.520 27.466 ( 0.880 0.000 -14.858) 14.884 28.269 ( -5.943 -0.000 9.859) 11.511 28.657 ( 4.023 0.000 1.759) 4.391 29.307 ( -6.607 -0.000 8.558) 10.812 29.893 ( 7.888 0.000 25.733) 26.915 30.037 ( -1.505 -0.000 13.817) 13.899 30.260 ( -3.843 -0.000 9.491) 10.240 30.542 ( -0.887 -0.000 -8.457) 8.504 32.544 ( -10.993 -0.000 -30.384) 32.312 ======================= Grid point 177 (89/186) ======================= q-point: (-0.25 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -25.673 7.166 4.329) 27.004 2.788 ( -28.036 -8.995 13.162) 32.251 3.185 ( -3.196 -1.097 3.084) 4.575 3.345 ( -15.212 -2.279 2.235) 15.543 3.863 ( -2.862 3.538 7.276) 8.582 4.217 ( -1.766 -5.149 11.412) 12.644 4.698 ( -26.410 2.687 19.265) 32.800 4.718 ( -5.736 19.503 10.197) 22.743 5.210 ( -8.317 -2.300 21.320) 23.000 5.332 ( -1.975 0.621 14.007) 14.160 5.589 ( -12.770 -0.218 29.373) 32.030 5.735 ( -1.876 1.802 -2.314) 3.481 5.876 ( -1.656 2.522 0.537) 3.064 6.310 ( 4.628 -1.275 14.662) 15.428 6.383 ( 7.556 -7.317 -3.273) 11.016 6.657 ( -13.251 -2.842 -10.459) 17.119 7.169 ( -6.301 0.363 0.882) 6.373 7.187 ( -6.226 -1.060 9.213) 11.170 7.635 ( 3.207 1.027 -15.566) 15.926 7.876 ( -2.337 -0.940 -13.043) 13.284 8.452 ( -4.806 -0.188 1.077) 4.929 8.508 ( -0.002 12.313 -3.493) 12.798 8.886 ( 1.221 -8.144 -0.617) 8.258 9.150 ( -4.109 20.651 -2.240) 21.175 9.463 ( -8.590 0.962 10.037) 13.246 9.714 ( -8.503 -7.082 -17.146) 20.408 10.094 ( -2.627 -3.036 -8.762) 9.638 10.208 ( 9.375 -5.366 -2.831) 11.167 10.407 ( 8.004 -8.108 0.910) 11.429 10.702 ( 4.024 4.654 -7.743) 9.890 10.803 ( -5.899 2.564 2.037) 6.747 10.900 ( 8.994 -1.807 -2.615) 9.539 11.373 ( -11.687 0.153 9.225) 14.890 11.960 ( -12.717 3.905 -1.635) 13.403 12.718 ( 14.979 -1.438 -1.781) 15.152 13.545 ( 5.587 6.290 -3.985) 9.309 13.669 ( 5.344 -1.276 -4.073) 6.839 14.276 ( -1.137 9.777 16.118) 18.886 14.718 ( 0.280 -10.042 27.911) 29.664 14.897 ( 0.901 -1.584 13.733) 13.853 15.553 ( 9.750 4.531 3.346) 11.260 15.797 ( 1.778 -0.517 -21.278) 21.358 15.876 ( 11.682 2.402 12.729) 17.443 16.259 ( 3.585 -15.435 -4.874) 16.579 18.777 ( 0.491 7.999 -11.727) 14.204 19.588 ( -5.558 2.621 3.955) 7.308 20.983 ( 8.342 -3.699 -27.710) 29.173 21.482 ( 0.937 0.047 -8.829) 8.879 25.579 ( -1.770 -1.079 3.648) 4.196 25.888 ( -3.221 -1.462 8.473) 9.181 27.051 ( 7.000 -0.091 -18.454) 19.738 27.466 ( 9.091 -0.083 -10.499) 13.888 28.245 ( -4.935 -1.368 9.160) 10.494 28.714 ( 3.606 0.620 2.215) 4.277 29.264 ( -4.585 0.605 8.399) 9.588 29.834 ( -2.372 17.867 22.313) 28.683 30.236 ( -2.254 -1.390 6.973) 7.459 30.305 ( 4.090 -8.658 13.984) 16.948 30.486 ( -2.342 -2.224 -1.395) 3.518 32.269 ( -13.830 -4.052 -33.415) 36.390 ======================= Grid point 178 (90/186) ======================= q-point: (-0.12 -0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -29.800 0.892 -2.932) 29.957 2.623 ( -27.111 -13.961 16.855) 34.843 3.049 ( -11.133 2.005 2.170) 11.518 3.372 ( -5.777 -11.652 6.915) 14.730 3.809 ( -0.149 5.870 2.234) 6.283 4.249 ( -14.139 -2.502 13.363) 19.615 4.435 ( -2.701 13.583 7.596) 15.795 4.568 ( -3.380 -0.478 26.615) 26.834 5.208 ( -4.695 2.010 18.848) 19.527 5.349 ( -0.607 1.747 10.810) 10.967 5.513 ( -15.204 0.825 24.582) 28.915 5.635 ( -7.796 1.653 5.863) 9.893 5.878 ( -1.217 -4.190 1.685) 4.678 6.427 ( -0.544 1.117 6.852) 6.964 6.487 ( 1.062 -1.096 1.951) 2.477 6.586 ( -1.947 -6.865 -0.195) 7.138 7.025 ( -13.598 -4.487 -6.224) 15.613 7.204 ( 0.139 1.939 5.897) 6.209 7.607 ( 1.774 0.129 -9.205) 9.376 7.778 ( -6.127 -0.766 -11.085) 12.689 8.299 ( -6.510 7.563 -5.660) 11.472 8.496 ( 7.224 -1.320 1.630) 7.523 8.776 ( -6.029 13.949 -7.646) 17.011 9.031 ( 1.126 -6.076 0.573) 6.206 9.339 ( -7.923 5.618 8.153) 12.681 9.649 ( -8.387 -7.003 -10.594) 15.219 10.033 ( -3.519 -0.858 -13.140) 13.630 10.395 ( 10.188 -3.297 -1.057) 10.761 10.579 ( -5.673 1.591 4.938) 7.687 10.622 ( 6.661 6.096 -10.714) 14.011 10.769 ( 3.845 -8.861 -1.960) 9.856 11.024 ( 6.562 -2.008 -5.384) 8.722 11.309 ( -5.688 -1.042 11.881) 13.214 11.794 ( -9.479 -0.422 7.315) 11.981 12.880 ( 10.734 -1.052 -8.399) 13.670 13.492 ( 5.937 8.553 -4.663) 11.408 13.735 ( 5.168 -0.701 -5.793) 7.795 14.159 ( -2.711 14.200 18.435) 23.428 14.810 ( -1.658 1.189 12.961) 13.121 15.079 ( 1.082 -4.102 24.099) 24.470 15.570 ( 6.236 4.339 0.090) 7.597 15.720 ( 2.852 2.121 -18.521) 18.859 16.088 ( 7.900 -4.690 11.576) 14.779 16.574 ( 11.384 -13.118 -5.392) 18.187 18.607 ( 0.243 10.583 -3.388) 11.115 19.484 ( -5.568 3.032 1.304) 6.473 21.062 ( 9.212 -5.779 -23.789) 26.156 21.460 ( 1.894 -0.078 -11.391) 11.548 25.614 ( 1.308 -1.919 4.857) 5.383 25.908 ( -3.662 -2.806 8.794) 9.930 26.951 ( -6.978 1.296 -22.144) 23.253 27.604 ( 15.384 0.147 -7.696) 17.202 28.251 ( -5.164 -3.128 8.135) 10.131 28.739 ( 2.206 2.652 3.824) 5.150 29.254 ( -0.427 0.398 8.415) 8.435 29.597 ( -8.612 17.509 21.469) 29.011 30.227 ( -4.602 -0.510 3.674) 5.911 30.283 ( -2.666 4.812 0.588) 5.533 30.655 ( -1.453 -7.751 10.089) 12.805 32.153 ( -0.680 -14.527 -31.697) 34.874 ======================= Grid point 185 (91/186) ======================= q-point: (-0.25 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -33.102 -0.000 5.347) 33.531 2.386 ( -30.868 -0.000 21.626) 37.689 3.050 ( -28.138 -0.000 6.902) 28.972 3.168 ( -4.212 -0.000 4.453) 6.129 3.882 ( -2.544 -0.000 9.315) 9.656 4.108 ( -13.040 -0.000 2.967) 13.373 4.544 ( -9.042 -0.000 23.005) 24.718 4.827 ( -8.498 -0.000 14.804) 17.069 5.157 ( -1.309 -0.000 11.050) 11.127 5.402 ( -6.836 -0.000 30.389) 31.149 5.528 ( -15.616 -0.000 30.446) 34.217 5.704 ( -3.500 -0.000 -8.241) 8.953 5.812 ( -8.811 -0.000 -5.187) 10.225 6.365 ( 4.891 0.000 4.348) 6.544 6.471 ( -7.657 -0.000 -4.723) 8.997 6.474 ( 10.239 0.000 4.426) 11.155 6.953 ( -17.121 -0.000 -0.682) 17.135 7.253 ( 0.754 0.000 11.640) 11.664 7.570 ( -1.260 -0.000 -22.395) 22.430 7.812 ( 0.633 0.000 -10.364) 10.384 8.371 ( -3.589 -0.000 -2.736) 4.513 8.668 ( 3.218 0.000 -2.145) 3.868 8.733 ( -8.413 -0.000 3.095) 8.965 9.325 ( -7.545 -0.000 -1.437) 7.681 9.359 ( -3.393 -0.000 -6.511) 7.342 9.436 ( -10.839 -0.000 -10.969) 15.421 9.982 ( -1.995 -0.000 -16.742) 16.861 10.187 ( 1.621 0.000 5.765) 5.989 10.484 ( 8.385 0.000 -2.247) 8.681 10.768 ( -4.794 -0.000 3.988) 6.236 10.772 ( 2.940 0.000 -10.078) 10.498 10.986 ( 7.848 0.000 -0.384) 7.857 11.299 ( -5.421 -0.000 13.638) 14.676 11.815 ( -12.126 -0.000 -1.375) 12.204 12.855 ( 10.506 0.000 -8.665) 13.619 13.682 ( 4.945 0.000 -7.379) 8.883 13.697 ( 9.344 0.000 -2.622) 9.705 14.369 ( -2.501 -0.000 10.983) 11.265 14.895 ( 10.225 0.000 42.371) 43.587 14.932 ( 0.807 0.000 9.980) 10.013 15.750 ( 5.675 0.000 -22.756) 23.453 15.784 ( 11.886 0.000 12.619) 17.336 16.015 ( -5.627 -0.000 -5.469) 7.847 16.212 ( 19.412 0.000 11.460) 22.543 18.804 ( 1.352 0.000 -10.943) 11.027 19.552 ( -6.166 -0.000 6.265) 8.790 20.953 ( 9.015 0.000 -27.601) 29.036 21.459 ( 1.350 0.000 -10.156) 10.245 25.582 ( 1.165 0.000 4.223) 4.381 25.867 ( -3.638 -0.000 8.452) 9.201 26.969 ( -5.828 -0.000 -23.108) 23.831 27.608 ( 17.366 0.000 -7.168) 18.788 28.205 ( -4.919 -0.000 7.927) 9.329 28.781 ( 4.175 0.000 2.107) 4.676 29.260 ( -1.535 -0.000 8.380) 8.519 30.074 ( -4.110 -0.000 11.815) 12.510 30.206 ( -5.323 -0.000 7.181) 8.939 30.334 ( 7.765 0.000 27.591) 28.663 30.418 ( -4.015 -0.000 -4.899) 6.334 31.857 ( -20.646 -0.000 -36.376) 41.826 ======================= Grid point 186 (92/186) ======================= q-point: (-0.12 -0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -36.824 8.450 7.798) 38.578 2.160 ( -29.158 -11.978 23.889) 39.552 2.827 ( -23.840 -11.054 17.368) 31.499 3.156 ( -7.729 -7.405 8.908) 13.926 3.874 ( -2.165 3.263 4.108) 5.675 3.969 ( -14.942 -4.891 7.980) 17.632 4.582 ( -2.034 3.445 15.613) 16.118 4.749 ( 2.917 6.192 15.749) 17.172 5.188 ( -3.215 1.047 15.425) 15.791 5.381 ( -17.204 0.010 27.189) 32.175 5.429 ( -14.553 2.772 24.098) 28.287 5.557 ( -8.034 -2.698 -5.422) 10.061 5.757 ( -3.387 -4.999 -3.308) 6.885 6.385 ( -4.005 0.778 0.181) 4.083 6.507 ( 2.882 -7.268 6.392) 10.099 6.603 ( 8.368 0.500 -2.703) 8.808 6.759 ( -13.696 -0.633 -0.265) 13.713 7.265 ( -0.883 3.802 7.110) 8.110 7.486 ( -2.155 -4.126 -18.649) 19.221 7.792 ( 4.757 3.939 -5.949) 8.576 8.267 ( -7.696 6.632 -1.208) 10.231 8.576 ( 2.167 1.307 -8.308) 8.685 8.790 ( -7.102 -2.217 -4.764) 8.835 8.909 ( -12.369 6.384 -3.573) 14.370 9.349 ( -4.011 -0.779 -7.087) 8.180 9.408 ( -4.624 -4.409 3.849) 7.459 9.924 ( -0.768 -2.000 -15.210) 15.360 10.369 ( 0.309 -17.854 1.409) 17.912 10.555 ( 6.990 2.626 -2.495) 7.872 10.674 ( -2.788 4.218 -6.849) 8.513 10.735 ( -1.169 -0.357 -2.370) 2.667 11.069 ( 4.928 0.427 -1.995) 5.334 11.348 ( 2.357 0.280 17.304) 17.466 11.687 ( -9.388 -1.257 6.287) 11.368 12.906 ( 3.788 -1.297 -15.489) 15.998 13.674 ( 7.271 6.320 -7.310) 12.093 13.809 ( 9.195 1.231 -2.727) 9.669 14.344 ( -2.412 6.771 13.514) 15.306 14.930 ( 3.303 5.238 8.251) 10.317 15.234 ( 11.218 -1.925 29.732) 31.836 15.701 ( 3.809 5.490 -19.291) 20.415 15.766 ( 4.410 9.294 3.379) 10.827 16.141 ( 5.735 -7.136 14.076) 16.791 16.574 ( 16.122 -9.359 2.097) 18.759 18.728 ( 0.890 7.364 -4.794) 8.832 19.470 ( -6.169 4.147 5.415) 9.197 21.007 ( 9.839 -5.287 -24.631) 27.045 21.437 ( 2.222 -0.124 -12.563) 12.759 25.645 ( 4.012 -1.599 5.652) 7.114 25.864 ( -3.938 -1.539 8.626) 9.607 26.747 ( -13.346 0.676 -22.004) 25.744 27.803 ( 17.558 2.037 -5.417) 18.487 28.181 ( -5.310 -1.309 6.494) 8.490 28.821 ( 2.784 2.284 2.539) 4.406 29.307 ( 3.768 -0.318 8.813) 9.590 29.836 ( -10.539 22.103 14.052) 28.232 30.176 ( -4.258 0.012 6.030) 7.381 30.304 ( -4.600 4.755 0.902) 6.677 30.532 ( -8.747 -6.300 5.817) 12.249 31.718 ( -1.816 -27.497 -27.430) 38.882 ======================= Grid point 194 (93/186) ======================= q-point: (-0.12 -0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -30.311 -0.000 18.604) 35.565 1.687 ( -38.219 -0.000 26.438) 46.473 2.571 ( -13.532 -0.000 47.664) 49.548 3.047 ( -6.821 -0.000 6.415) 9.364 3.770 ( -12.606 -0.000 -1.671) 12.717 3.930 ( 0.061 0.000 9.059) 9.059 4.635 ( -4.112 -0.000 13.834) 14.432 4.881 ( 5.374 0.000 15.385) 16.297 5.138 ( -19.105 -0.000 -3.526) 19.428 5.222 ( -25.497 -0.000 34.555) 42.944 5.394 ( -13.922 -0.000 27.956) 31.231 5.412 ( 5.512 0.000 0.555) 5.540 5.680 ( -1.176 -0.000 -4.801) 4.943 6.340 ( -4.865 -0.000 -0.673) 4.911 6.392 ( -11.873 -0.000 -4.325) 12.637 6.641 ( 7.127 0.000 0.557) 7.149 6.818 ( 8.039 0.000 5.197) 9.573 7.330 ( -0.382 -0.000 7.848) 7.858 7.369 ( 2.292 0.000 -18.111) 18.255 7.884 ( 8.337 0.000 -5.830) 10.173 8.303 ( -0.292 -0.000 -2.243) 2.262 8.397 ( -14.483 -0.000 -7.934) 16.514 8.692 ( -26.413 -0.000 -6.587) 27.222 8.741 ( 5.011 0.000 -5.982) 7.804 9.194 ( -3.833 -0.000 -10.988) 11.637 9.451 ( 0.927 0.000 7.622) 7.678 9.855 ( 1.718 0.000 -14.060) 14.164 10.208 ( -3.042 -0.000 5.409) 6.206 10.626 ( -1.923 -0.000 -11.905) 12.059 10.671 ( 7.263 0.000 -1.875) 7.502 10.689 ( -4.107 -0.000 3.556) 5.432 11.125 ( 3.015 0.000 -0.823) 3.126 11.465 ( 2.821 0.000 17.785) 18.008 11.603 ( -5.780 -0.000 11.538) 12.905 12.838 ( -1.468 -0.000 -18.696) 18.754 13.765 ( 6.753 0.000 -10.086) 12.138 13.948 ( 10.964 0.000 -2.476) 11.240 14.429 ( -1.100 -0.000 13.097) 13.144 15.003 ( 0.376 0.000 -0.851) 0.931 15.443 ( 13.388 0.000 2.350) 13.593 15.704 ( 3.824 0.000 -20.279) 20.637 15.924 ( -0.660 -0.000 7.514) 7.543 16.305 ( 14.171 0.000 26.746) 30.269 16.745 ( 16.435 0.000 8.579) 18.540 18.769 ( -0.960 -0.000 -3.726) 3.847 19.454 ( -7.290 -0.000 4.752) 8.702 20.994 ( 9.927 0.000 -22.877) 24.938 21.414 ( 2.885 0.000 -14.709) 14.989 25.713 ( 4.856 0.000 6.472) 8.091 25.840 ( -3.540 -0.000 9.737) 10.361 26.491 ( -13.649 -0.000 -14.717) 20.072 28.037 ( 17.509 0.000 -2.272) 17.655 28.129 ( -5.424 -0.000 4.036) 6.761 28.877 ( 1.648 0.000 1.794) 2.436 29.437 ( 12.689 0.000 7.792) 14.891 29.908 ( -11.382 -0.000 -0.399) 11.389 30.199 ( -0.984 -0.000 8.364) 8.421 30.212 ( -31.093 -0.000 -14.968) 34.509 30.320 ( -2.265 -0.000 3.006) 3.764 31.385 ( 4.925 0.000 -0.173) 4.928 ======================= Grid point 195 (94/186) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 7.779 0.000 25.131) 26.308 2.243 ( 8.533 0.000 28.607) 29.852 3.164 ( -4.422 -0.000 10.722) 11.598 3.220 ( -5.755 -0.000 -6.537) 8.710 4.106 ( 12.730 0.000 24.694) 27.782 4.144 ( -1.506 -0.000 2.967) 3.327 4.339 ( -14.872 -0.000 -8.919) 17.341 4.476 ( 6.446 0.000 -0.564) 6.470 5.173 ( -1.567 -0.000 12.779) 12.875 5.475 ( 1.670 0.000 -4.248) 4.564 5.707 ( -5.623 -0.000 -0.533) 5.648 5.788 ( -0.738 -0.000 -0.435) 0.857 5.942 ( -10.079 -0.000 36.612) 37.974 6.113 ( 3.244 0.000 -0.815) 3.345 6.359 ( -4.145 -0.000 23.112) 23.480 6.611 ( -5.561 -0.000 1.250) 5.700 7.149 ( -12.774 -0.000 13.442) 18.544 7.283 ( 9.444 0.000 -8.761) 12.881 7.387 ( -8.412 -0.000 16.151) 18.211 7.821 ( -1.493 -0.000 -8.834) 8.960 8.104 ( 1.032 0.000 -0.541) 1.166 8.301 ( 8.338 0.000 -21.613) 23.166 8.503 ( 7.114 0.000 1.380) 7.247 8.570 ( -7.191 -0.000 19.531) 20.813 9.014 ( 8.015 0.000 -6.509) 10.325 9.426 ( -8.101 -0.000 -2.293) 8.419 9.704 ( 5.182 0.000 -3.376) 6.185 10.179 ( -1.335 -0.000 -3.900) 4.122 10.328 ( 2.836 0.000 -10.532) 10.907 10.491 ( -4.654 -0.000 -14.039) 14.790 11.074 ( 8.399 0.000 13.998) 16.325 11.137 ( 0.232 0.000 4.807) 4.812 11.637 ( -6.295 -0.000 4.612) 7.804 12.242 ( 3.512 0.000 22.352) 22.626 12.355 ( -2.411 -0.000 -9.053) 9.369 13.686 ( 6.243 0.000 -5.572) 8.367 14.024 ( 4.085 0.000 -13.797) 14.389 14.404 ( 0.653 0.000 -8.059) 8.086 14.599 ( -2.178 -0.000 -17.703) 17.836 15.102 ( -6.014 -0.000 -18.065) 19.040 15.604 ( 1.555 0.000 4.122) 4.405 16.393 ( -8.409 -0.000 -4.116) 9.362 16.395 ( 1.533 0.000 19.413) 19.473 17.245 ( -10.855 -0.000 3.924) 11.543 18.653 ( -17.315 -0.000 19.600) 26.153 19.363 ( -2.555 -0.000 5.427) 5.998 20.685 ( 17.678 0.000 -24.325) 30.070 20.963 ( 3.516 0.000 -23.241) 23.506 25.904 ( -3.060 -0.000 6.949) 7.593 26.282 ( 5.892 0.000 17.437) 18.406 26.454 ( 15.501 0.000 -6.305) 16.734 27.730 ( -13.138 -0.000 -14.331) 19.442 28.494 ( 8.811 0.000 8.023) 11.917 28.871 ( -4.301 -0.000 -0.916) 4.397 29.232 ( -9.025 -0.000 -2.187) 9.286 29.463 ( -9.861 -0.000 -6.893) 12.032 30.105 ( 20.886 0.000 5.120) 21.505 30.339 ( -1.503 -0.000 2.295) 2.743 30.541 ( -0.394 -0.000 13.328) 13.334 31.485 ( -1.056 -0.000 -6.850) 6.931 ======================= Grid point 196 (95/186) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 16.077 -2.927 18.754) 24.875 2.544 ( 5.945 -8.223 16.043) 18.982 3.145 ( -1.452 0.986 4.280) 4.626 3.276 ( 11.341 -5.935 7.555) 14.863 4.011 ( -8.964 6.678 -0.133) 11.179 4.139 ( 3.080 9.161 -10.031) 13.930 4.323 ( 7.349 -4.001 -0.045) 8.368 4.758 ( 10.781 -7.130 19.969) 23.787 5.240 ( 0.113 -4.498 16.192) 16.806 5.474 ( 2.276 1.187 -1.827) 3.151 5.604 ( -2.135 2.918 0.396) 3.637 5.860 ( -2.482 -11.005 -6.937) 13.244 5.981 ( -9.407 -2.080 38.550) 39.736 6.261 ( 10.120 -5.913 2.039) 11.897 6.387 ( -1.200 3.111 20.367) 20.638 6.493 ( -8.946 1.851 1.598) 9.274 7.006 ( -12.283 -0.255 5.947) 13.649 7.357 ( -8.219 0.492 24.490) 25.837 7.375 ( 7.275 -3.668 -10.355) 13.176 7.766 ( -5.676 -2.602 -6.163) 8.773 8.112 ( 1.193 1.317 0.622) 1.883 8.361 ( 7.540 -6.597 -18.819) 21.320 8.520 ( 5.335 5.449 11.844) 14.087 8.754 ( 3.832 -11.243 5.226) 12.977 9.080 ( 9.300 3.866 -5.353) 11.406 9.298 ( -8.462 0.130 -2.972) 8.970 9.780 ( 5.276 -3.135 -2.363) 6.576 10.165 ( 0.467 0.109 -5.506) 5.527 10.275 ( -4.432 1.523 -16.977) 17.612 10.482 ( 3.458 -10.102 -10.758) 15.157 11.104 ( -0.927 6.769 7.661) 10.265 11.206 ( 5.932 3.380 12.973) 14.660 11.590 ( -5.457 -1.781 2.413) 6.226 12.313 ( 2.572 0.150 -1.633) 3.050 12.369 ( 1.327 -0.568 15.960) 16.026 13.717 ( 5.029 3.226 -3.601) 6.977 13.907 ( -4.403 7.508 -18.540) 20.481 14.374 ( -2.779 2.702 1.487) 4.151 14.519 ( 2.401 -2.047 -18.846) 19.108 14.999 ( -8.326 -7.978 -16.233) 19.912 15.642 ( 2.292 0.766 2.028) 3.154 16.228 ( -10.732 3.222 -0.302) 11.209 16.475 ( -1.072 0.212 16.372) 16.408 16.919 ( -25.071 11.435 9.814) 29.251 18.581 ( -4.392 1.925 17.575) 18.217 19.383 ( 1.076 -0.628 4.105) 4.289 20.817 ( 15.019 0.129 -20.782) 25.642 20.933 ( 6.000 -1.987 -25.253) 26.032 25.885 ( -3.597 0.637 6.542) 7.493 26.397 ( 2.990 2.908 17.509) 17.999 26.619 ( 14.562 -0.149 -10.389) 17.889 27.480 ( -10.818 3.402 -14.942) 18.758 28.584 ( 5.165 3.731 9.214) 11.203 28.787 ( -5.880 1.000 -2.652) 6.527 29.173 ( -2.448 -2.404 4.970) 6.040 29.404 ( -7.695 -7.297 -4.619) 11.566 30.270 ( 6.473 5.338 3.722) 9.179 30.380 ( 3.163 1.671 2.633) 4.442 30.611 ( 3.816 -4.504 13.994) 15.189 31.536 ( 3.354 -10.639 -15.437) 19.046 ======================= Grid point 197 (96/186) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 14.608 -6.741 9.982) 18.934 2.628 ( -3.051 1.457 -2.371) 4.130 3.174 ( 0.898 -2.232 9.495) 9.795 3.653 ( 17.719 -7.411 15.647) 24.773 3.853 ( -4.732 4.555 1.475) 6.732 3.999 ( 2.904 9.720 -9.522) 13.913 4.422 ( 4.931 -1.081 0.989) 5.144 4.955 ( 12.237 6.513 7.999) 16.005 5.369 ( 4.112 3.045 7.483) 9.064 5.548 ( -1.484 -9.978 10.730) 14.727 5.597 ( 0.794 -1.266 5.632) 5.827 5.965 ( -0.787 -10.485 -4.529) 11.449 6.058 ( -5.057 -0.941 24.827) 25.355 6.206 ( -12.673 1.983 6.982) 14.604 6.377 ( -2.251 1.808 16.272) 16.527 6.709 ( 10.040 -15.970 5.716) 19.711 6.934 ( -4.438 -3.452 -2.529) 6.165 7.332 ( -11.454 -0.483 26.027) 28.440 7.539 ( 5.160 -9.889 1.914) 11.317 7.708 ( -3.982 -3.791 -5.354) 7.674 8.099 ( 1.380 2.732 0.564) 3.113 8.516 ( 6.449 -10.310 -12.805) 17.660 8.553 ( 4.525 5.908 10.260) 12.675 8.935 ( 2.267 -5.942 -0.404) 6.373 9.081 ( 8.382 9.212 -6.579) 14.085 9.246 ( -2.933 -6.594 -1.081) 7.297 9.896 ( 3.325 -5.746 -7.002) 9.649 10.061 ( -2.310 3.816 -7.784) 8.972 10.213 ( -0.830 -4.808 -13.113) 13.991 10.654 ( 5.670 -10.344 -11.997) 16.824 10.988 ( -2.620 9.987 6.802) 12.364 11.222 ( 2.265 8.403 8.430) 12.116 11.568 ( -4.084 -1.641 4.835) 6.539 12.388 ( 6.667 -4.458 -3.264) 8.659 12.447 ( 1.779 2.402 19.151) 19.383 13.600 ( -10.259 12.231 -9.478) 18.566 13.706 ( 4.386 4.923 -7.133) 9.714 14.234 ( -10.212 2.953 -5.263) 11.862 14.571 ( 2.343 -5.972 -8.104) 10.336 15.003 ( -2.047 -10.401 -10.292) 14.775 15.632 ( -0.172 3.668 1.166) 3.853 16.047 ( -10.733 4.940 4.847) 12.771 16.492 ( -4.240 0.820 10.924) 11.747 16.544 ( -15.232 6.903 9.361) 19.165 18.588 ( 1.281 4.300 14.934) 15.593 19.422 ( 0.924 -0.702 3.212) 3.415 20.848 ( 8.381 2.733 -21.723) 23.443 20.999 ( 11.215 -3.415 -23.947) 26.663 25.847 ( -3.143 2.021 6.031) 7.094 26.402 ( -1.533 6.300 14.296) 15.697 26.714 ( 5.113 -1.055 -12.642) 13.677 27.305 ( -0.288 2.103 -13.381) 13.548 28.621 ( 3.555 3.663 8.855) 10.221 28.692 ( -5.106 0.520 -3.244) 6.072 29.259 ( -0.154 -6.725 9.678) 11.786 29.392 ( -5.949 -4.895 0.567) 7.725 30.264 ( 0.596 3.472 4.499) 5.714 30.357 ( -0.408 2.983 6.019) 6.730 30.794 ( -0.209 -7.138 11.297) 13.365 31.698 ( 11.549 -8.813 -23.627) 27.736 ======================= Grid point 198 (97/186) ======================= q-point: ( 0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -3.419 11.619 -11.022) 16.376 2.790 ( 6.858 -9.685 5.123) 12.926 3.299 ( 2.311 -5.909 13.214) 14.659 3.677 ( -7.246 9.499 -0.364) 11.953 3.869 ( 4.624 5.063 0.350) 6.866 3.959 ( 3.343 1.788 14.944) 15.417 4.571 ( 9.522 -6.444 0.398) 11.504 5.003 ( 11.946 10.978 3.414) 16.580 5.323 ( -1.065 8.581 6.249) 10.668 5.650 ( -5.597 -3.876 5.761) 8.918 5.694 ( 7.650 0.435 6.871) 10.292 5.956 ( -10.591 -0.566 14.553) 18.008 6.089 ( -1.601 -8.596 1.298) 8.840 6.290 ( -6.931 -13.681 20.778) 25.825 6.394 ( -2.556 -0.746 11.164) 11.477 6.886 ( 4.128 1.698 -9.316) 10.330 7.041 ( 2.670 -11.257 -1.727) 11.697 7.288 ( -13.740 -0.938 30.104) 33.104 7.574 ( -7.266 0.481 8.081) 10.878 7.872 ( 0.815 -12.560 -6.652) 14.236 8.120 ( 4.997 -0.108 4.784) 6.918 8.493 ( 3.257 9.661 3.803) 10.881 8.748 ( 3.400 -16.994 -4.707) 17.959 8.948 ( 3.875 11.489 5.257) 13.215 9.039 ( 5.120 -0.420 -8.887) 10.265 9.354 ( -0.240 -8.589 -4.839) 9.861 9.832 ( -4.525 0.491 -16.972) 17.572 10.146 ( 3.137 -9.813 -2.009) 10.496 10.237 ( 4.758 -3.587 -9.509) 11.221 10.783 ( 6.487 -4.009 -12.799) 14.899 10.849 ( -2.255 7.438 3.309) 8.448 11.102 ( -1.439 12.177 2.685) 12.552 11.558 ( -3.602 0.369 9.150) 9.840 12.468 ( -0.783 4.719 15.495) 16.217 12.588 ( 11.200 -5.515 2.541) 12.740 13.269 ( -10.082 9.339 -9.330) 16.611 13.662 ( 3.393 4.927 -5.519) 8.140 14.050 ( -12.965 -2.113 -0.703) 13.155 14.667 ( 1.603 -8.283 -4.108) 9.384 15.123 ( 3.376 -8.409 -7.784) 11.946 15.577 ( 0.212 3.851 3.383) 5.130 15.853 ( -10.090 7.236 10.533) 16.282 16.398 ( -7.347 -5.510 -5.934) 10.934 16.477 ( -0.348 5.558 13.069) 14.206 18.608 ( 2.400 4.164 14.140) 14.935 19.445 ( -0.833 -0.702 3.633) 3.793 20.818 ( 8.804 4.274 -24.005) 25.923 21.074 ( 8.795 -2.068 -22.619) 24.357 25.805 ( -1.373 2.901 5.689) 6.532 26.318 ( -4.592 6.659 11.152) 13.777 26.676 ( -4.579 -1.782 -14.235) 15.059 27.307 ( 9.214 0.175 -11.241) 14.535 28.581 ( -4.776 3.415 2.609) 6.424 28.683 ( 2.638 -0.556 2.955) 4.000 29.348 ( -3.075 -2.645 7.972) 8.944 29.454 ( -0.718 -7.951 10.232) 12.978 30.234 ( -3.051 1.321 5.679) 6.581 30.364 ( 1.044 0.009 4.721) 4.835 30.861 ( -8.165 -5.063 7.597) 12.248 31.852 ( 15.422 -1.729 -24.786) 29.244 ======================= Grid point 199 (98/186) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( -4.725 15.324 -9.844) 18.816 2.969 ( -1.602 -8.208 6.949) 10.874 3.374 ( -7.395 13.322 10.686) 18.611 3.525 ( -0.463 -8.903 3.823) 9.700 3.799 ( -0.351 9.015 10.987) 14.216 4.056 ( 2.424 -3.792 5.763) 7.312 4.710 ( 1.899 0.919 -4.180) 4.682 5.002 ( 9.263 9.677 3.348) 13.808 5.225 ( -0.598 3.438 2.813) 4.482 5.622 ( -5.303 0.639 14.173) 15.146 5.736 ( 2.689 5.799 -0.233) 6.396 6.009 ( -5.285 -7.803 24.271) 26.036 6.169 ( -5.361 -6.173 10.603) 13.389 6.373 ( -2.750 2.258 5.181) 6.285 6.462 ( -8.872 -12.900 10.924) 19.091 6.845 ( 4.302 5.543 -16.875) 18.276 7.107 ( -6.073 -2.378 6.980) 9.553 7.262 ( -12.581 -0.210 27.505) 30.247 7.536 ( 1.528 0.274 0.086) 1.554 7.847 ( -9.171 4.601 0.533) 10.274 8.123 ( -3.364 3.607 4.714) 6.823 8.518 ( 6.130 -2.554 0.908) 6.703 8.767 ( -1.802 9.191 -2.095) 9.597 9.065 ( 4.452 -3.977 3.551) 6.946 9.165 ( 5.223 -15.675 1.732) 16.612 9.337 ( -2.827 2.395 -15.143) 15.590 9.731 ( -1.432 -1.986 -17.001) 17.177 10.261 ( 3.349 -6.554 -6.336) 9.712 10.398 ( 4.346 -8.819 -1.467) 9.941 10.756 ( 1.705 5.750 0.456) 6.015 10.831 ( 3.533 2.382 -9.323) 10.251 10.912 ( 0.668 10.163 -5.663) 11.653 11.553 ( -1.875 0.398 12.804) 12.947 12.378 ( -6.303 11.929 19.149) 23.425 12.763 ( 4.252 -0.347 -3.592) 5.577 13.110 ( 2.045 -3.884 -10.100) 11.013 13.627 ( 3.282 2.124 -4.620) 6.052 14.024 ( -6.203 -11.239 4.153) 13.492 14.794 ( 0.471 -8.158 -1.490) 8.306 15.205 ( 2.331 -3.157 -8.611) 9.463 15.593 ( 4.046 0.651 6.626) 7.791 15.721 ( -3.931 3.910 10.855) 12.189 16.402 ( -4.222 -8.487 -7.991) 12.398 16.456 ( 2.227 5.231 9.595) 11.153 18.651 ( 1.971 1.638 14.002) 14.235 19.452 ( -2.905 -1.297 5.376) 6.247 20.762 ( 10.082 6.611 -26.228) 28.866 21.101 ( 5.903 -1.336 -22.269) 23.077 25.789 ( 1.784 2.732 5.773) 6.631 26.209 ( -5.869 4.966 9.349) 12.104 26.563 ( -7.896 -1.626 -13.295) 15.548 27.409 ( 11.418 -1.620 -10.366) 15.507 28.475 ( -6.324 3.402 3.752) 8.102 28.743 ( 2.627 -1.367 2.105) 3.633 29.390 ( 1.946 -0.794 8.454) 8.712 29.591 ( -4.118 -8.202 12.651) 15.629 30.201 ( -5.150 -1.160 6.116) 8.080 30.403 ( 0.871 -0.357 5.453) 5.533 30.793 ( -12.718 -1.655 1.723) 12.941 31.924 ( 15.315 6.119 -22.853) 28.183 ======================= Grid point 200 (99/186) ======================= q-point: (-0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -6.295 13.150 -1.462) 14.653 3.045 ( -6.336 -1.716 7.024) 9.614 3.075 ( -12.849 13.051 23.746) 29.988 3.603 ( -3.754 1.199 3.734) 5.429 3.806 ( 2.836 -2.957 11.052) 11.787 4.143 ( -2.249 -6.719 -4.360) 8.320 4.550 ( -6.966 12.865 1.204) 14.680 5.023 ( 7.356 3.525 3.451) 8.857 5.216 ( -0.735 0.482 -2.763) 2.899 5.616 ( 0.277 4.670 12.499) 13.346 5.692 ( -3.809 -1.226 7.390) 8.404 6.076 ( -8.303 1.902 19.557) 21.332 6.195 ( -7.581 2.522 17.095) 18.870 6.327 ( -1.534 -2.777 2.629) 4.120 6.520 ( -9.196 -5.078 5.871) 12.034 6.662 ( -9.158 6.078 -8.324) 13.788 7.066 ( -5.684 -0.910 -10.491) 11.966 7.195 ( -5.069 5.372 33.878) 34.674 7.582 ( -0.061 0.330 -2.410) 2.433 7.654 ( -2.908 4.423 8.997) 10.439 8.083 ( -3.065 -0.716 4.557) 5.538 8.571 ( -5.325 6.758 -0.454) 8.616 8.651 ( 4.956 0.175 -1.275) 5.120 9.035 ( -3.423 7.024 -9.746) 12.491 9.172 ( -3.969 0.993 -9.803) 10.622 9.439 ( 0.336 -9.670 -0.697) 9.701 9.723 ( 3.857 -0.978 -9.251) 10.070 10.353 ( 1.805 -4.072 -8.063) 9.211 10.497 ( -0.199 -3.911 2.340) 4.562 10.700 ( -0.386 7.050 5.587) 9.004 10.772 ( 4.557 4.136 -9.334) 11.181 10.857 ( 5.574 -0.112 -14.102) 15.165 11.629 ( 2.315 -2.586 16.292) 16.658 12.167 ( -9.330 12.558 17.343) 23.357 12.695 ( -3.186 2.847 -10.450) 11.290 13.276 ( 9.222 -9.110 -8.250) 15.366 13.675 ( 6.542 -2.297 -3.101) 7.595 14.192 ( 1.076 -13.075 1.278) 13.181 14.843 ( -3.071 -2.609 -4.855) 6.310 15.259 ( 3.102 -5.508 -7.208) 9.587 15.659 ( 6.807 6.000 0.629) 9.095 15.768 ( 0.993 -7.442 18.994) 20.424 16.462 ( -0.181 -8.399 -7.898) 11.531 16.478 ( 2.296 0.004 10.874) 11.114 18.721 ( 0.244 -1.512 13.752) 13.837 19.454 ( -4.942 -2.553 7.450) 9.298 20.688 ( 11.614 8.105 -28.246) 31.598 21.090 ( 4.029 -0.924 -22.169) 22.551 25.826 ( 5.514 2.166 6.308) 8.654 26.115 ( -6.134 2.724 8.838) 11.097 26.427 ( -8.103 -0.429 -10.034) 12.905 27.556 ( 11.287 -4.668 -9.790) 15.653 28.364 ( -6.338 3.170 5.099) 8.730 28.800 ( 1.792 -1.945 0.990) 2.824 29.482 ( 6.662 0.920 7.341) 9.956 29.653 ( -9.426 -6.959 9.370) 15.003 30.200 ( -6.114 -4.770 10.097) 12.731 30.421 ( -1.185 1.308 5.435) 5.715 30.601 ( -14.558 3.582 -3.920) 15.496 31.890 ( 13.867 13.031 -19.829) 27.482 ======================= Grid point 201 (100/186) ======================= q-point: (-0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -4.966 5.005 11.849) 13.788 2.705 ( -16.710 20.363 23.759) 35.474 3.104 ( -6.765 -4.858 18.962) 20.710 3.511 ( -6.353 3.209 1.666) 7.310 3.906 ( 2.466 3.393 11.479) 12.221 4.128 ( -6.917 -2.112 2.003) 7.505 4.324 ( -4.788 3.014 -6.031) 8.269 5.091 ( 0.672 4.335 3.641) 5.701 5.143 ( -2.748 -0.128 -2.737) 3.881 5.615 ( -6.423 10.273 4.211) 12.827 5.635 ( 3.678 1.689 7.872) 8.852 5.969 ( -8.852 2.649 10.785) 14.202 6.054 ( -15.522 2.726 27.122) 31.368 6.303 ( -8.765 4.623 -4.609) 10.929 6.390 ( -6.238 -3.070 -2.472) 7.379 6.606 ( -4.702 -2.344 14.949) 15.845 7.011 ( 0.030 -2.897 -0.893) 3.031 7.234 ( 3.037 4.362 17.868) 18.642 7.493 ( -10.655 -0.721 12.573) 16.496 7.747 ( 10.898 -0.640 -2.361) 11.169 8.082 ( -4.791 -2.840 6.469) 8.536 8.371 ( -4.245 9.022 -3.990) 10.739 8.649 ( -0.363 5.247 -9.813) 11.133 8.872 ( -0.877 3.302 -7.634) 8.363 9.043 ( -5.095 4.972 -8.405) 11.015 9.493 ( -2.387 -3.434 -0.596) 4.225 9.711 ( 1.293 3.672 -3.270) 5.085 10.330 ( -2.193 0.806 -9.237) 9.528 10.592 ( -1.871 1.663 2.034) 3.226 10.650 ( 2.137 6.948 -9.890) 12.274 10.671 ( 6.744 -1.260 2.293) 7.234 10.957 ( 4.215 -7.176 -4.902) 9.659 11.758 ( -0.735 -1.133 15.804) 15.861 12.002 ( -3.372 5.500 16.699) 17.902 12.567 ( -4.294 2.079 -11.265) 12.234 13.467 ( 8.034 -6.957 -8.365) 13.525 13.813 ( 8.988 -4.546 -4.684) 11.108 14.345 ( 1.141 -7.182 -4.337) 8.467 14.779 ( -2.755 0.543 -11.511) 11.849 15.342 ( 2.960 -3.801 -13.664) 14.489 15.617 ( 2.416 7.314 1.716) 7.891 16.027 ( 4.235 -9.773 20.709) 23.288 16.503 ( 1.735 -1.027 -4.210) 4.668 16.701 ( 5.184 -17.630 12.666) 22.318 18.791 ( -4.145 -3.563 13.545) 14.606 19.451 ( -7.587 -3.578 8.094) 11.657 20.620 ( 13.405 7.847 -29.098) 32.984 21.058 ( 3.276 -0.505 -22.278) 22.523 25.900 ( 5.858 2.806 6.062) 8.884 26.066 ( -3.372 -0.214 10.986) 11.494 26.314 ( -3.583 0.477 -5.260) 6.382 27.743 ( 8.508 -9.055 -10.236) 16.099 28.281 ( -3.218 2.422 6.459) 7.612 28.850 ( 0.893 -2.465 0.382) 2.649 29.512 ( -6.159 0.458 0.270) 6.181 29.687 ( 2.697 -2.701 8.363) 9.193 30.175 ( -19.064 1.759 -2.179) 19.268 30.335 ( -2.029 0.173 6.735) 7.036 30.426 ( -2.834 3.392 6.531) 7.886 31.769 ( 10.547 16.582 -14.856) 24.635 ======================= Grid point 202 (101/186) ======================= q-point: (-0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 1.042 -3.919 22.527) 22.889 2.311 ( -11.433 21.340 29.451) 38.125 3.159 ( -6.050 -3.758 15.994) 17.508 3.366 ( -9.814 1.381 -5.678) 11.422 3.913 ( 8.347 10.645 29.871) 32.792 4.121 ( -2.532 -1.931 7.266) 7.933 4.305 ( -4.294 -12.859 -16.168) 21.100 4.805 ( -13.219 16.585 -8.162) 22.725 5.159 ( -0.757 2.077 10.453) 10.684 5.470 ( -0.292 0.466 -3.965) 4.003 5.691 ( -0.966 -2.155 5.630) 6.106 5.884 ( -7.178 2.524 15.000) 16.820 5.976 ( -9.248 5.256 25.013) 27.181 6.144 ( -4.800 0.146 -6.067) 7.737 6.339 ( -4.542 0.613 9.713) 10.740 6.634 ( -5.724 -2.732 11.428) 13.070 7.115 ( 2.522 -6.106 4.191) 7.824 7.260 ( 1.726 4.460 8.500) 9.753 7.435 ( -9.829 -1.824 12.660) 16.131 7.850 ( 6.168 2.133 -4.685) 8.034 8.094 ( -1.495 -1.963 1.839) 3.077 8.258 ( 2.854 0.337 -5.758) 6.436 8.494 ( -0.611 5.219 -12.833) 13.867 8.736 ( -8.029 10.737 8.080) 15.653 8.956 ( 4.119 -0.563 -9.643) 10.501 9.493 ( -4.928 -2.739 0.320) 5.647 9.678 ( 3.759 2.526 -4.333) 6.268 10.242 ( -2.629 2.343 -5.471) 6.506 10.417 ( 0.025 9.749 -9.292) 13.468 10.586 ( -3.563 -1.220 -10.349) 11.013 10.880 ( 9.588 -3.799 11.434) 15.398 11.077 ( 1.952 -5.041 0.633) 5.442 11.716 ( -7.027 2.652 8.585) 11.407 12.090 ( 4.109 -1.505 21.671) 22.108 12.447 ( -4.033 1.333 -10.403) 11.237 13.603 ( 7.063 -3.493 -7.307) 10.747 13.958 ( 8.569 -3.036 -8.311) 12.317 14.404 ( -0.236 -4.846 -8.855) 10.097 14.689 ( -1.919 0.080 -15.940) 16.055 15.272 ( -0.632 5.412 -19.478) 20.225 15.584 ( -0.197 1.208 5.197) 5.339 16.251 ( 2.944 -4.966 18.654) 19.527 16.490 ( -2.759 0.184 -3.810) 4.708 17.104 ( 6.011 -17.749 8.953) 20.768 18.788 ( -14.034 -2.986 15.262) 20.948 19.410 ( -8.880 -1.493 6.716) 11.233 20.602 ( 16.023 4.702 -27.463) 32.141 21.013 ( 3.141 -0.027 -22.592) 22.810 25.913 ( -1.144 1.531 6.377) 6.657 26.144 ( 4.514 -0.610 15.275) 15.940 26.314 ( 7.469 -0.157 -3.551) 8.271 27.860 ( -4.793 -7.489 -12.779) 15.568 28.322 ( 7.835 -1.277 7.933) 11.223 28.887 ( -0.886 -2.349 -0.092) 2.512 29.374 ( -13.221 -2.129 -4.801) 14.226 29.757 ( -10.601 12.870 -10.731) 19.829 29.859 ( 8.040 -0.037 9.714) 12.610 30.369 ( -3.230 1.133 4.498) 5.652 30.448 ( 0.524 -4.404 14.273) 14.946 31.601 ( 3.877 13.111 -8.518) 16.109 ======================= Grid point 204 (102/186) ======================= q-point: ( 0.12 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 14.406 0.000 16.359) 21.798 2.624 ( 5.627 0.000 8.866) 10.501 3.207 ( 3.299 0.000 5.740) 6.620 3.476 ( 24.509 0.000 6.940) 25.473 3.972 ( -4.462 -0.000 3.417) 5.620 4.313 ( 7.192 0.000 -10.836) 13.005 4.319 ( 10.275 0.000 -6.608) 12.216 5.013 ( 15.939 0.000 32.219) 35.946 5.267 ( 0.002 0.000 16.201) 16.201 5.525 ( 3.466 0.000 0.367) 3.485 5.655 ( -4.674 -0.000 -4.689) 6.621 5.711 ( 8.476 0.000 -5.043) 9.863 5.983 ( -13.104 -0.000 43.145) 45.091 6.340 ( -17.171 -0.000 15.089) 22.859 6.374 ( 14.573 0.000 -1.493) 14.649 6.479 ( 0.987 0.000 -2.846) 3.012 6.865 ( -9.370 -0.000 4.098) 10.227 7.349 ( -11.957 -0.000 34.010) 36.051 7.380 ( 5.521 0.000 -14.493) 15.509 7.649 ( -4.792 -0.000 -8.446) 9.711 8.175 ( 4.135 0.000 3.733) 5.571 8.323 ( 7.502 0.000 -19.340) 20.744 8.678 ( 1.923 0.000 13.528) 13.664 8.760 ( 7.813 0.000 3.910) 8.736 9.169 ( -6.601 -0.000 -7.966) 10.345 9.238 ( 12.764 0.000 -3.014) 13.115 9.799 ( 3.577 0.000 -5.329) 6.418 10.128 ( 0.236 0.000 -11.274) 11.277 10.283 ( -0.845 -0.000 -10.579) 10.612 10.354 ( 4.807 0.000 -8.542) 9.802 11.155 ( -3.816 -0.000 7.816) 8.698 11.329 ( 0.895 0.000 10.915) 10.952 11.543 ( -1.027 -0.000 3.499) 3.647 12.322 ( 4.013 0.000 -3.075) 5.056 12.476 ( 2.234 0.000 19.314) 19.442 13.785 ( 3.874 0.000 -2.507) 4.615 13.790 ( -9.293 -0.000 -22.155) 24.025 14.376 ( -1.689 -0.000 -8.224) 8.395 14.492 ( 4.385 0.000 -6.718) 8.022 14.734 ( -13.030 -0.000 -8.536) 15.577 15.702 ( 4.743 0.000 -0.831) 4.816 16.076 ( -13.721 -0.000 -0.930) 13.753 16.524 ( -2.681 -0.000 16.562) 16.777 16.647 ( -33.152 -0.000 16.007) 36.814 18.668 ( 4.689 0.000 11.006) 11.963 19.421 ( 2.675 0.000 3.830) 4.672 20.867 ( 4.203 0.000 -22.992) 23.373 20.960 ( 16.265 0.000 -20.649) 26.286 25.878 ( -2.488 -0.000 6.503) 6.963 26.509 ( -1.368 -0.000 19.005) 19.055 26.691 ( 4.487 0.000 -15.168) 15.817 27.339 ( -3.606 -0.000 -15.567) 15.979 28.687 ( 1.393 0.000 8.987) 9.094 28.700 ( -5.924 -0.000 -3.878) 7.080 29.173 ( 0.591 0.000 8.737) 8.757 29.294 ( 0.294 0.000 -3.630) 3.642 30.346 ( 2.075 0.000 -3.147) 3.769 30.463 ( -3.208 -0.000 8.098) 8.711 30.613 ( -2.981 -0.000 14.892) 15.188 31.534 ( 17.997 0.000 -17.508) 25.108 ======================= Grid point 205 (103/186) ======================= q-point: ( 0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 5.479 1.511 8.661) 10.359 2.733 ( 10.540 0.567 4.563) 11.500 3.265 ( 5.916 3.000 6.897) 9.569 3.848 ( 16.016 -2.443 4.266) 16.754 3.934 ( 4.791 4.815 9.836) 11.953 4.223 ( 9.465 14.425 -6.860) 18.567 4.511 ( 12.040 -1.724 -3.548) 12.670 5.266 ( 11.265 5.839 16.990) 21.205 5.402 ( 0.861 -8.764 19.304) 21.218 5.534 ( 2.259 5.527 -0.131) 5.972 5.632 ( 2.070 -5.677 4.443) 7.501 5.857 ( 1.550 -4.745 6.639) 8.306 6.011 ( -9.393 -2.884 25.360) 27.197 6.085 ( -16.798 4.707 4.158) 17.934 6.451 ( -0.087 3.174 6.082) 6.861 6.668 ( 13.705 -12.263 -1.800) 18.479 6.856 ( 3.236 -2.661 -0.417) 4.210 7.302 ( -12.274 1.636 29.834) 32.302 7.451 ( 2.289 -8.972 -5.737) 10.893 7.581 ( -4.063 -2.374 -6.071) 7.681 8.192 ( 2.723 4.293 3.387) 6.108 8.411 ( 4.704 -7.760 -10.178) 13.636 8.707 ( 1.140 4.395 6.391) 7.840 8.893 ( 3.356 -5.036 2.435) 6.523 9.117 ( 2.058 -2.401 -7.514) 8.153 9.360 ( 14.537 6.468 -3.091) 16.208 9.809 ( -0.577 -2.670 -14.244) 14.503 10.091 ( 1.886 2.726 -5.998) 6.853 10.171 ( 2.827 4.020 -5.732) 7.550 10.523 ( 5.578 -12.272 -9.210) 16.326 11.071 ( -6.130 5.708 4.629) 9.570 11.306 ( -4.626 2.599 3.260) 6.227 11.582 ( 1.883 0.756 9.672) 9.883 12.406 ( 6.839 -2.952 -0.366) 7.458 12.574 ( 2.574 0.524 17.945) 18.136 13.521 ( -12.755 5.417 -19.963) 24.302 13.794 ( 2.650 2.925 -2.415) 4.627 14.202 ( -7.135 12.859 -4.047) 15.252 14.493 ( 0.292 -2.765 -6.924) 7.461 14.759 ( -2.516 -16.841 -0.949) 17.054 15.714 ( 2.340 5.344 -0.914) 5.905 15.937 ( -10.040 -2.385 1.764) 10.469 16.297 ( -26.220 0.675 12.565) 29.083 16.546 ( -5.075 -0.647 14.333) 15.219 18.744 ( 5.715 3.938 6.033) 9.196 19.467 ( 2.771 1.137 4.844) 5.695 20.832 ( 4.080 -1.448 -24.820) 25.194 21.075 ( 14.193 1.023 -18.545) 23.375 25.870 ( -1.265 1.424 6.453) 6.728 26.491 ( -6.738 4.554 15.065) 17.120 26.625 ( -5.723 -1.507 -14.837) 15.974 27.297 ( 5.622 -0.585 -15.111) 16.134 28.620 ( -4.216 0.243 -3.322) 5.373 28.710 ( -0.431 1.306 7.440) 7.566 29.257 ( 2.533 -2.371 12.406) 12.882 29.336 ( 4.250 -1.796 0.534) 4.645 30.321 ( -4.285 4.094 4.107) 7.211 30.379 ( -3.940 0.511 2.860) 4.896 30.675 ( -6.597 -6.281 13.024) 15.893 31.766 ( 24.063 -2.906 -21.683) 32.521 ======================= Grid point 206 (104/186) ======================= q-point: ( 0.38 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 3.371 9.450 0.387) 10.040 2.888 ( 11.440 2.045 1.003) 11.664 3.339 ( 3.749 -0.269 11.049) 11.671 3.777 ( -1.972 12.055 2.008) 12.379 4.069 ( 10.543 11.176 0.274) 15.367 4.171 ( 7.545 8.287 12.821) 17.029 4.652 ( 10.885 -0.071 -1.634) 11.007 5.330 ( 9.909 10.793 5.256) 15.566 5.451 ( -2.171 8.720 -3.309) 9.576 5.567 ( 0.273 -4.563 11.650) 12.514 5.809 ( -11.932 -3.108 20.278) 23.732 5.830 ( 2.604 -6.505 5.771) 9.078 5.931 ( -9.860 -8.921 15.720) 20.589 6.134 ( 0.687 -3.755 12.199) 12.782 6.433 ( -1.118 2.057 6.141) 6.572 6.913 ( 3.402 -5.914 -6.189) 9.211 6.978 ( 12.553 -0.751 -7.783) 14.789 7.251 ( -12.426 0.440 34.233) 36.421 7.540 ( -1.038 -0.765 3.066) 3.326 7.663 ( 3.078 -15.516 -10.433) 18.949 8.197 ( 1.412 1.730 6.647) 7.012 8.535 ( -1.733 -10.067 -1.972) 10.404 8.656 ( 2.552 4.733 -2.405) 5.891 8.991 ( 0.851 -3.968 2.446) 4.738 9.167 ( 4.859 2.028 -4.131) 6.692 9.399 ( 12.617 8.870 -4.915) 16.187 9.734 ( -1.959 1.226 -16.057) 16.223 10.094 ( 3.862 -1.663 -4.391) 6.080 10.227 ( 6.465 -4.320 -2.580) 8.192 10.699 ( 3.633 -8.118 -9.956) 13.350 10.923 ( -3.643 5.483 -1.264) 6.703 11.193 ( -5.072 5.383 0.782) 7.437 11.613 ( 0.347 3.025 11.944) 12.326 12.537 ( 4.465 -1.786 3.184) 5.768 12.685 ( 4.854 -1.496 13.553) 14.474 13.202 ( -11.419 6.425 -15.302) 20.145 13.774 ( 4.183 4.617 -0.909) 6.296 13.905 ( -12.543 8.055 2.130) 15.058 14.563 ( 2.991 -7.347 -6.708) 10.389 14.982 ( 1.579 -14.223 -1.094) 14.352 15.648 ( -1.491 3.973 4.569) 6.236 15.837 ( -8.831 3.587 8.332) 12.660 16.130 ( -12.927 -9.312 -1.191) 15.976 16.535 ( -4.965 -0.026 10.735) 11.827 18.754 ( 3.261 5.155 3.642) 7.104 19.493 ( 2.194 2.994 6.834) 7.777 20.813 ( 4.439 -2.231 -25.899) 26.372 21.134 ( 11.335 3.100 -19.139) 22.458 25.862 ( 0.615 2.352 6.427) 6.872 26.362 ( -9.226 5.460 9.782) 14.512 26.505 ( -8.088 -2.204 -12.200) 14.802 27.350 ( 7.552 -2.414 -13.875) 15.980 28.546 ( -4.954 1.759 0.459) 5.277 28.720 ( -0.059 -0.361 3.899) 3.916 29.368 ( 3.645 -1.029 12.178) 12.754 29.450 ( 5.630 -2.205 8.293) 10.263 30.209 ( -10.063 0.898 8.619) 13.280 30.381 ( 1.888 -0.845 -1.591) 2.609 30.693 ( -9.467 -4.414 9.695) 14.251 31.994 ( 21.772 0.062 -23.082) 31.730 ======================= Grid point 207 (105/186) ======================= q-point: (-0.50 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 9.624 20.271 -4.870) 22.962 2.952 ( 3.611 2.199 2.894) 5.124 3.457 ( 1.372 -5.364 9.239) 10.772 3.545 ( -4.912 16.366 5.126) 17.840 3.992 ( 2.011 11.899 9.531) 15.378 4.176 ( 5.269 9.835 10.280) 15.171 4.746 ( 4.462 1.019 -5.157) 6.895 5.188 ( -4.474 8.715 -12.574) 15.940 5.328 ( 4.730 8.062 4.160) 10.231 5.651 ( -1.252 0.351 20.804) 20.845 5.816 ( -6.747 -0.962 11.092) 13.019 5.985 ( -1.413 -3.314 21.259) 21.562 6.016 ( -1.626 -7.109 12.440) 14.420 6.254 ( -1.604 -9.429 3.548) 10.202 6.408 ( -3.358 1.374 9.892) 10.536 6.886 ( -2.749 5.889 -5.237) 8.347 7.045 ( 3.164 0.231 -13.383) 13.754 7.260 ( -7.503 -0.456 32.087) 32.955 7.583 ( 5.963 -0.493 -0.030) 5.984 7.793 ( -1.841 -1.893 2.135) 3.396 8.163 ( -4.863 5.719 7.852) 10.863 8.571 ( 2.711 0.446 -3.957) 4.817 8.708 ( -1.551 -6.890 -4.142) 8.187 9.045 ( -1.399 -4.376 6.199) 7.716 9.158 ( 3.148 3.540 -1.699) 5.033 9.425 ( 11.466 8.324 -9.616) 17.124 9.632 ( -0.042 -1.246 -14.114) 14.169 10.198 ( 5.103 -6.116 -3.962) 8.896 10.375 ( 6.455 -4.293 -1.497) 7.895 10.707 ( -4.421 -2.666 -8.044) 9.558 10.868 ( 1.839 2.085 -8.195) 8.653 11.065 ( 0.677 7.399 -1.889) 7.666 11.622 ( 0.501 2.445 13.661) 13.887 12.512 ( -6.215 8.899 10.426) 15.051 12.758 ( -3.190 0.825 -2.715) 4.270 13.072 ( 5.502 -3.878 -5.969) 8.996 13.678 ( -4.268 4.941 3.355) 7.341 13.869 ( 3.977 -7.353 1.823) 8.556 14.684 ( 2.278 -7.494 -6.159) 9.964 15.137 ( 1.168 -7.081 -4.482) 8.461 15.614 ( -6.009 -0.620 15.040) 16.208 15.766 ( 0.184 0.264 3.327) 3.342 16.148 ( -6.577 -11.182 -5.146) 13.956 16.515 ( -3.825 -0.345 7.354) 8.297 18.728 ( -0.519 2.650 3.723) 4.599 19.495 ( 1.310 4.363 8.673) 9.796 20.794 ( 5.033 -1.233 -26.614) 27.114 21.130 ( 9.064 4.268 -21.038) 23.302 25.882 ( 3.637 1.979 6.536) 7.737 26.209 ( -9.401 3.868 7.167) 12.438 26.394 ( -7.052 -1.770 -9.009) 11.577 27.431 ( 6.164 -4.234 -12.927) 14.934 28.452 ( -5.677 3.044 4.024) 7.595 28.748 ( 0.309 -1.896 0.898) 2.121 29.492 ( 7.089 -0.324 12.790) 14.627 29.563 ( 2.476 -0.052 10.627) 10.912 30.114 ( -11.188 -1.813 8.331) 14.066 30.424 ( 2.243 -1.309 0.193) 2.605 30.634 ( -10.048 -0.552 5.955) 11.693 32.118 ( 17.189 4.417 -23.713) 29.619 ======================= Grid point 208 (106/186) ======================= q-point: (-0.38 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 14.465 28.645 -5.333) 32.531 2.980 ( -1.957 -1.603 8.137) 8.521 3.254 ( -8.178 17.467 13.058) 23.291 3.561 ( -1.805 -3.240 5.689) 6.791 3.902 ( -0.813 7.385 14.485) 16.279 4.120 ( 1.011 6.705 -0.527) 6.802 4.643 ( -3.648 10.288 -5.205) 12.093 5.060 ( -2.038 -1.961 -6.433) 7.027 5.307 ( 3.752 6.761 0.946) 7.790 5.662 ( -6.754 1.459 9.706) 11.914 5.751 ( -0.320 5.557 16.324) 17.247 6.053 ( -7.545 -1.660 25.618) 26.757 6.135 ( -2.421 -4.258 4.073) 6.370 6.309 ( -4.216 -1.779 6.071) 7.602 6.430 ( -2.650 -0.564 10.951) 11.281 6.680 ( -4.696 12.849 3.385) 14.093 6.973 ( -1.978 1.129 -10.082) 10.336 7.319 ( -0.607 -0.491 19.345) 19.361 7.624 ( -0.728 9.309 4.590) 10.404 7.744 ( 3.559 1.711 7.036) 8.069 8.062 ( -6.554 1.563 10.075) 12.120 8.568 ( -2.258 2.492 -2.220) 4.030 8.720 ( 2.917 -0.568 -3.454) 4.556 9.046 ( -4.905 8.103 -7.582) 12.133 9.118 ( -1.586 -1.190 -2.054) 2.855 9.382 ( 5.869 1.257 -10.798) 12.354 9.722 ( 6.849 -4.333 -4.966) 9.505 10.301 ( 2.540 -2.611 -6.644) 7.577 10.467 ( 2.530 -2.903 3.741) 5.368 10.719 ( 0.341 -7.081 -10.102) 12.341 10.776 ( -1.873 4.988 -2.928) 6.079 10.978 ( 4.758 8.569 -10.299) 14.218 11.694 ( 2.465 -1.486 15.839) 16.098 12.274 ( -10.708 12.174 10.858) 19.513 12.644 ( -5.108 3.164 -6.676) 8.982 13.251 ( 9.559 -7.481 -5.846) 13.473 13.652 ( -2.108 -4.999 0.579) 5.456 14.120 ( 11.944 -9.616 3.317) 15.689 14.740 ( -1.311 -3.582 -9.012) 9.786 15.199 ( 1.081 -4.240 -5.511) 7.037 15.690 ( -3.613 -10.112 21.982) 24.465 15.796 ( 3.622 1.934 -3.429) 5.350 16.217 ( -6.060 -13.028 -3.487) 14.785 16.523 ( -0.860 -1.818 6.195) 6.513 18.704 ( -5.160 -1.402 6.251) 8.226 19.475 ( -0.218 4.631 9.195) 10.298 20.763 ( 6.376 0.792 -26.910) 27.666 21.090 ( 7.637 3.923 -23.102) 24.645 25.956 ( 6.698 1.141 6.571) 9.452 26.085 ( -8.031 1.581 7.022) 10.784 26.311 ( -3.863 -0.741 -5.112) 6.450 27.518 ( 3.310 -6.707 -12.294) 14.390 28.363 ( -4.061 3.246 6.086) 8.004 28.783 ( 0.148 -2.552 -0.550) 2.615 29.568 ( -4.131 3.513 9.115) 10.606 29.661 ( 11.619 0.291 10.401) 15.597 30.047 ( -13.053 -5.046 10.405) 17.438 30.445 ( -1.576 1.863 0.004) 2.440 30.524 ( -4.782 3.040 5.764) 8.083 32.120 ( 12.262 8.510 -24.469) 28.662 ======================= Grid point 209 (107/186) ======================= q-point: (-0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 16.579 25.827 1.557) 30.730 2.894 ( -8.291 14.327 9.298) 18.986 3.086 ( -3.363 2.053 24.314) 24.631 3.494 ( -6.650 7.653 4.676) 11.165 3.916 ( -2.737 -5.889 5.282) 8.371 4.045 ( 0.966 2.046 -5.548) 5.992 4.420 ( -2.520 12.304 0.303) 12.563 5.076 ( -7.035 -3.695 1.386) 8.067 5.175 ( -0.303 9.307 -5.709) 10.923 5.591 ( -4.976 1.794 6.187) 8.140 5.808 ( 1.517 -3.137 12.146) 12.636 5.969 ( -11.554 15.635 8.983) 21.416 6.064 ( -4.978 2.075 25.264) 25.833 6.266 ( -4.459 4.342 -1.121) 6.325 6.364 ( -1.321 5.059 11.573) 12.700 6.593 ( -2.170 2.615 13.354) 13.780 6.973 ( 3.052 -4.085 -3.992) 6.476 7.390 ( -1.185 -0.885 11.751) 11.843 7.467 ( -1.609 10.709 10.468) 15.061 7.867 ( 9.252 -1.531 2.572) 9.724 8.010 ( -9.687 -1.241 14.469) 17.457 8.430 ( -4.576 8.085 -0.470) 9.302 8.718 ( 2.058 8.724 -11.973) 14.956 8.864 ( 0.965 -0.640 -9.690) 9.759 9.054 ( -1.187 5.422 -5.844) 8.060 9.415 ( -0.374 -1.847 -2.736) 3.322 9.778 ( 4.096 3.030 -3.042) 5.934 10.274 ( -2.792 0.354 -7.666) 8.166 10.601 ( 4.479 -0.334 1.960) 4.901 10.648 ( -1.067 0.597 -9.419) 9.498 10.817 ( 0.676 0.229 4.636) 4.691 10.892 ( 5.453 -1.002 -13.229) 14.344 11.787 ( -3.258 0.641 14.679) 15.049 12.092 ( -2.512 4.210 12.170) 13.121 12.512 ( -4.025 3.176 -7.024) 8.697 13.444 ( 8.615 -7.021 -6.838) 13.049 13.738 ( -1.074 -10.522 -3.894) 11.270 14.347 ( 8.111 -1.109 1.624) 8.346 14.693 ( -2.111 -0.296 -14.318) 14.476 15.256 ( 1.117 -5.127 -9.583) 10.925 15.736 ( 0.546 6.539 -5.986) 8.882 15.963 ( 0.427 -15.667 22.684) 27.572 16.334 ( -6.838 -15.944 1.354) 17.401 16.606 ( 2.041 -6.582 6.337) 9.361 18.676 ( -10.902 -3.772 10.847) 15.834 19.434 ( -2.041 3.973 7.982) 9.147 20.731 ( 9.027 2.241 -26.425) 28.014 21.039 ( 6.755 2.917 -24.476) 25.558 25.963 ( -5.154 1.500 4.454) 6.975 26.118 ( 5.635 -1.184 12.740) 13.980 26.301 ( 4.925 -0.758 -3.888) 6.321 27.591 ( -2.203 -9.172 -12.429) 15.603 28.329 ( 0.846 1.675 7.656) 7.883 28.815 ( -0.681 -2.793 -1.209) 3.119 29.444 ( -7.527 6.564 5.056) 11.194 29.855 ( 12.523 0.069 9.880) 15.952 29.952 ( -16.605 -1.721 3.807) 17.123 30.343 ( -3.574 3.266 3.825) 6.170 30.514 ( 3.071 3.917 8.585) 9.923 32.002 ( 6.821 12.169 -24.013) 27.772 ======================= Grid point 210 (108/186) ======================= q-point: (-0.12 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 16.681 13.727 11.876) 24.652 2.631 ( -2.751 17.852 19.274) 26.414 3.144 ( -1.903 -0.602 18.105) 18.214 3.298 ( -4.165 7.997 -0.962) 9.068 3.985 ( -5.344 -10.207 -3.168) 11.949 4.064 ( 0.528 -4.421 -4.130) 6.073 4.296 ( 5.504 9.805 8.733) 14.238 4.842 ( -9.114 8.879 -3.277) 13.139 5.204 ( 2.357 -1.160 7.523) 7.968 5.512 ( -1.855 6.467 4.564) 8.130 5.666 ( -8.070 6.433 6.142) 12.010 5.952 ( -1.513 0.407 23.616) 23.668 6.070 ( -4.149 8.061 4.071) 9.938 6.148 ( 6.871 0.852 4.176) 8.086 6.338 ( -2.973 2.299 12.694) 13.239 6.567 ( -7.263 1.607 15.711) 17.383 7.059 ( -0.903 -4.021 0.673) 4.176 7.352 ( -5.024 2.468 13.644) 14.748 7.415 ( 1.975 5.691 3.275) 6.856 7.895 ( -5.607 3.120 1.195) 6.527 8.057 ( 1.247 -4.899 8.165) 9.603 8.325 ( 4.855 2.931 0.455) 5.689 8.537 ( 1.069 8.713 -15.641) 17.936 8.879 ( 1.344 9.401 0.814) 9.532 8.961 ( 4.735 -1.660 -7.692) 9.184 9.386 ( -5.863 -1.010 -0.138) 5.951 9.772 ( 5.748 4.519 -2.491) 7.724 10.200 ( -3.250 -0.265 -6.535) 7.303 10.457 ( -5.319 5.758 -17.527) 19.200 10.597 ( 4.326 9.069 -7.086) 12.296 10.947 ( 4.010 -7.666 10.129) 13.320 11.020 ( 4.466 -7.656 2.658) 9.253 11.698 ( -7.785 3.885 6.587) 10.913 12.185 ( 4.227 -2.912 16.260) 17.051 12.407 ( -2.077 2.977 -4.720) 5.955 13.602 ( 6.595 -5.379 -5.525) 10.146 13.858 ( -1.465 -12.059 -10.966) 16.365 14.386 ( 0.648 2.410 2.548) 3.567 14.604 ( 0.125 1.218 -19.249) 19.288 15.225 ( -2.906 2.188 -18.081) 18.444 15.637 ( -0.378 3.584 0.233) 3.611 16.204 ( -3.419 -9.969 12.377) 16.256 16.434 ( -3.507 -4.368 7.370) 9.257 16.830 ( -5.353 -21.032 7.215) 22.870 18.611 ( -14.116 -2.584 16.846) 22.129 19.389 ( -1.584 2.569 5.736) 6.482 20.738 ( 12.861 1.770 -24.312) 27.561 20.987 ( 6.067 2.307 -24.952) 25.782 25.907 ( -4.811 0.074 5.991) 7.685 26.252 ( 3.352 -2.152 15.579) 16.080 26.439 ( 16.062 -0.988 -6.071) 17.199 27.591 ( -9.172 -8.017 -13.589) 18.250 28.416 ( 6.222 -2.717 8.865) 11.166 28.826 ( -2.835 -2.511 -1.799) 4.193 29.274 ( -6.658 6.111 4.075) 9.914 29.686 ( -15.350 7.702 -3.149) 17.460 30.065 ( 12.938 -1.603 6.700) 14.658 30.332 ( -1.886 -2.585 4.902) 5.853 30.550 ( 5.849 4.876 12.764) 14.863 31.775 ( 1.435 14.554 -20.262) 24.989 ======================= Grid point 213 (109/186) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 4.832 0.000 8.170) 9.492 2.864 ( 9.171 0.000 6.127) 11.029 3.390 ( 4.756 0.000 6.509) 8.061 4.032 ( 2.129 0.000 9.692) 9.923 4.096 ( 17.136 0.000 2.041) 17.257 4.475 ( 9.612 0.000 -1.817) 9.782 4.686 ( 23.961 0.000 -9.271) 25.692 5.410 ( 0.692 0.000 14.450) 14.467 5.511 ( 6.193 0.000 22.805) 23.631 5.532 ( -2.808 -0.000 -2.178) 3.554 5.644 ( 3.576 0.000 6.053) 7.030 5.760 ( -21.353 -0.000 26.384) 33.942 5.873 ( -18.477 -0.000 5.421) 19.256 6.152 ( 11.083 0.000 12.076) 16.391 6.480 ( -2.494 -0.000 1.571) 2.947 6.753 ( 17.511 0.000 -8.743) 19.572 6.987 ( 19.832 0.000 1.895) 19.922 7.287 ( -15.813 -0.000 41.850) 44.738 7.331 ( 2.368 0.000 -25.981) 26.089 7.524 ( -0.559 -0.000 -0.581) 0.807 8.248 ( -5.164 -0.000 13.857) 14.788 8.381 ( 7.351 0.000 -11.792) 13.895 8.729 ( -2.335 -0.000 -1.951) 3.043 8.901 ( 0.992 0.000 3.876) 4.001 9.178 ( 12.900 0.000 -7.911) 15.132 9.567 ( 10.601 0.000 -5.655) 12.015 9.716 ( 0.936 0.000 -17.065) 17.091 10.141 ( 6.267 0.000 0.590) 6.295 10.293 ( 5.949 0.000 -7.095) 9.259 10.431 ( 4.763 0.000 -3.869) 6.137 11.014 ( -10.160 -0.000 0.376) 10.167 11.248 ( -7.005 -0.000 0.494) 7.022 11.662 ( 1.624 0.000 12.028) 12.137 12.480 ( 7.387 0.000 1.517) 7.542 12.672 ( 1.817 0.000 16.636) 16.735 13.292 ( -14.878 -0.000 -21.324) 26.001 13.809 ( -0.615 -0.000 -5.335) 5.370 14.328 ( 5.739 0.000 -13.749) 14.899 14.444 ( -8.211 -0.000 13.298) 15.629 14.548 ( -0.363 -0.000 4.166) 4.182 15.770 ( -10.047 -0.000 3.313) 10.580 15.828 ( 7.208 0.000 -5.209) 8.893 16.007 ( -27.401 -0.000 14.863) 31.173 16.512 ( -7.221 -0.000 11.219) 13.342 18.848 ( 4.503 0.000 -2.602) 5.201 19.546 ( 3.739 0.000 8.370) 9.167 20.760 ( 3.067 0.000 -26.955) 27.128 21.187 ( 12.317 0.000 -16.211) 20.360 25.899 ( 0.009 0.000 7.120) 7.120 26.459 ( -12.728 -0.000 14.744) 19.478 26.462 ( -7.211 -0.000 -15.578) 17.166 27.308 ( 6.958 0.000 -17.066) 18.430 28.572 ( -2.005 -0.000 -3.040) 3.642 28.716 ( -3.613 -0.000 6.538) 7.470 29.345 ( 4.598 0.000 15.398) 16.070 29.432 ( 10.617 0.000 3.009) 11.035 30.214 ( -17.304 -0.000 11.725) 20.903 30.376 ( 2.861 0.000 -6.071) 6.711 30.622 ( -5.264 -0.000 14.003) 14.959 31.985 ( 25.301 0.000 -22.760) 34.032 ======================= Grid point 214 (110/186) ======================= q-point: ( 0.38 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 4.039 6.543 7.661) 10.854 3.028 ( 8.572 -1.896 3.395) 9.413 3.436 ( 1.488 2.191 6.777) 7.276 3.967 ( 0.760 13.553 6.385) 15.001 4.336 ( 10.274 -4.333 2.738) 11.482 4.452 ( 9.203 17.902 1.933) 20.221 4.881 ( 15.753 10.625 -1.313) 19.047 5.404 ( -16.747 1.569 -13.794) 21.753 5.463 ( 2.069 -2.155 0.453) 3.022 5.620 ( 0.742 -0.266 7.984) 8.022 5.704 ( -7.016 0.303 26.781) 27.686 5.750 ( -2.617 -10.071 19.562) 22.158 5.792 ( -1.759 -6.445 23.502) 24.433 6.277 ( 4.366 4.399 13.440) 14.801 6.424 ( -5.142 -0.214 -0.642) 5.186 6.929 ( 11.915 -0.303 -8.257) 14.499 7.148 ( 8.987 6.873 -18.204) 21.433 7.244 ( -10.740 -0.205 35.319) 36.917 7.500 ( 15.781 -14.686 -4.612) 22.045 7.554 ( 4.485 -1.507 -0.249) 4.738 8.235 ( -4.312 0.189 16.620) 17.171 8.455 ( 5.914 -2.477 -5.517) 8.459 8.679 ( -0.710 1.340 -6.820) 6.987 8.939 ( -1.459 -3.554 3.745) 5.365 9.287 ( 10.302 3.902 -7.434) 13.290 9.577 ( 2.726 0.436 -8.096) 8.554 9.723 ( 6.410 2.354 -14.462) 15.994 10.188 ( 6.237 8.006 -4.587) 11.137 10.286 ( 8.017 0.964 4.468) 9.229 10.593 ( 3.157 -8.423 -7.234) 11.543 10.876 ( -7.404 -0.923 -3.581) 8.276 11.151 ( -7.001 0.750 -0.265) 7.046 11.703 ( -0.295 2.115 12.774) 12.952 12.572 ( 2.365 -1.279 0.129) 2.692 12.752 ( -0.305 -0.476 13.572) 13.583 13.042 ( -8.266 -0.293 -16.731) 18.664 13.759 ( -3.703 0.065 -4.313) 5.685 14.111 ( 0.545 21.768 10.110) 24.007 14.502 ( 5.361 -4.490 -7.853) 10.516 14.766 ( -1.090 -18.913 8.851) 20.910 15.660 ( -6.227 1.117 3.839) 7.400 15.743 ( -20.571 -0.140 13.532) 24.623 15.929 ( 4.942 -3.928 -6.736) 9.232 16.460 ( -9.384 -2.330 8.606) 12.944 18.837 ( 1.110 3.456 -6.993) 7.879 19.614 ( 3.669 2.920 11.021) 11.977 20.707 ( 2.809 -2.958 -28.749) 29.037 21.246 ( 9.868 2.694 -16.290) 19.236 25.927 ( 1.216 1.007 7.615) 7.777 26.305 ( -12.108 2.505 4.986) 13.332 26.347 ( -6.796 -1.350 -7.003) 9.852 27.337 ( 5.773 -2.088 -16.860) 17.943 28.528 ( -2.177 2.161 -0.129) 3.071 28.696 ( -3.713 -1.604 4.189) 5.823 29.477 ( 5.176 -0.477 17.003) 17.779 29.595 ( 12.273 1.392 7.021) 14.207 30.061 ( -15.748 -1.978 10.990) 19.306 30.389 ( 2.598 -0.503 -4.806) 5.486 30.610 ( -6.210 -0.715 11.774) 13.331 32.184 ( 20.731 0.918 -24.139) 31.832 ======================= Grid point 215 (111/186) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 6.878 7.983 7.228) 12.778 3.097 ( 5.532 6.226 -2.607) 8.728 3.450 ( -1.661 -1.269 7.981) 8.250 3.758 ( -2.156 18.120 4.877) 18.888 4.280 ( 3.278 19.390 7.994) 21.228 4.448 ( 6.721 7.701 5.709) 11.708 4.831 ( 1.399 7.767 1.078) 7.966 5.079 ( -14.656 5.040 -13.787) 20.743 5.495 ( 3.787 5.164 -1.514) 6.581 5.661 ( -8.322 -4.520 9.099) 13.133 5.746 ( 1.606 -3.622 16.645) 17.110 5.964 ( -0.072 -4.360 36.300) 36.561 6.044 ( 6.097 -12.159 7.210) 15.394 6.219 ( -4.174 5.976 -2.076) 7.579 6.391 ( -5.918 -0.246 16.621) 17.645 6.976 ( 6.097 6.329 -2.294) 9.082 7.059 ( 2.510 3.774 -21.214) 21.692 7.270 ( -6.907 -1.904 26.902) 27.840 7.652 ( 7.756 -2.663 -1.536) 8.343 7.805 ( 5.450 -3.357 9.626) 11.559 8.237 ( 0.420 7.380 9.742) 12.229 8.573 ( 7.294 -4.432 -2.755) 8.969 8.624 ( -1.928 -0.024 -6.062) 6.361 8.987 ( -1.082 -4.241 4.259) 6.107 9.264 ( 2.753 7.179 -4.863) 9.098 9.609 ( 2.824 2.786 -9.251) 10.066 9.643 ( 8.461 5.980 -10.992) 15.105 10.214 ( 7.618 -1.295 -2.002) 7.982 10.410 ( 6.271 -2.766 -0.048) 6.854 10.567 ( -6.505 -0.772 -10.581) 12.445 10.863 ( 0.144 -0.508 -5.824) 5.848 11.082 ( -2.614 -1.252 -2.469) 3.807 11.716 ( -0.210 2.180 13.835) 14.007 12.498 ( -10.404 2.408 -3.785) 11.330 12.734 ( -4.490 2.902 5.967) 8.012 13.073 ( 8.024 -6.299 -4.646) 11.209 13.657 ( -8.682 3.965 5.478) 11.004 13.994 ( 10.835 6.731 6.584) 14.355 14.609 ( 5.104 -5.216 -9.413) 11.911 14.993 ( -2.015 -11.840 3.383) 12.477 15.605 ( -7.804 1.678 15.678) 17.593 15.641 ( -9.350 -10.173 5.338) 14.813 16.007 ( 4.565 -2.584 -10.078) 11.362 16.422 ( -8.875 -5.104 7.844) 12.898 18.747 ( -2.268 3.825 -6.595) 7.954 19.638 ( 2.281 5.746 11.623) 13.164 20.684 ( 3.172 -4.762 -29.590) 30.138 21.237 ( 8.187 5.075 -18.067) 20.475 25.974 ( 3.187 0.305 7.803) 8.434 26.138 ( -12.320 1.965 6.949) 14.280 26.283 ( -1.402 -1.027 -8.010) 8.196 27.373 ( 3.475 -3.785 -15.923) 16.732 28.458 ( -3.230 3.672 4.102) 6.383 28.705 ( -1.904 -3.152 0.624) 3.735 29.614 ( 3.948 0.008 18.559) 18.974 29.739 ( 11.857 4.064 7.254) 14.482 29.945 ( -14.473 -2.586 9.566) 17.540 30.427 ( 1.979 -1.940 -0.211) 2.779 30.573 ( -5.633 0.627 8.327) 10.073 32.278 ( 14.280 3.559 -25.676) 29.594 ======================= Grid point 216 (112/186) ======================= q-point: (-0.38 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 11.754 16.450 1.171) 20.252 3.016 ( -0.493 5.679 -0.608) 5.732 3.433 ( -4.211 12.953 5.229) 14.589 3.535 ( -2.207 2.326 8.308) 8.906 4.094 ( -1.874 14.654 13.691) 20.142 4.335 ( 1.093 16.480 3.752) 16.937 4.705 ( -2.603 11.001 -7.817) 13.745 4.883 ( -11.432 -8.079 -1.077) 14.040 5.439 ( 1.431 7.191 -2.267) 7.674 5.618 ( -6.557 0.442 6.586) 9.304 5.849 ( -1.396 1.498 11.292) 11.476 6.058 ( -4.359 0.660 -6.268) 7.663 6.121 ( -1.519 0.745 31.206) 31.252 6.273 ( 0.818 -3.820 12.250) 12.858 6.413 ( -3.594 -3.525 18.577) 19.247 6.935 ( 3.926 12.048 1.130) 12.722 6.942 ( 3.923 3.416 -12.218) 13.279 7.332 ( -2.933 -2.508 19.161) 19.546 7.782 ( 7.723 -1.562 -1.726) 8.066 7.847 ( -5.628 4.468 23.251) 24.336 8.091 ( -0.979 13.528 3.749) 14.072 8.531 ( -5.926 0.904 -3.946) 7.177 8.723 ( 6.565 -3.548 -3.943) 8.440 9.046 ( -3.664 1.446 -0.636) 3.990 9.138 ( 0.988 7.154 -0.564) 7.244 9.484 ( 6.521 6.981 -16.875) 19.391 9.771 ( 10.728 -1.930 -2.581) 11.202 10.305 ( 4.105 0.858 -7.769) 8.829 10.472 ( -0.198 -2.896 0.319) 2.920 10.548 ( 0.060 -10.209 -8.574) 13.331 10.795 ( -1.722 4.038 -5.913) 7.364 11.047 ( -0.682 2.297 -7.539) 7.910 11.769 ( 0.968 -0.486 15.989) 16.026 12.297 ( -9.457 6.567 1.411) 11.600 12.619 ( -6.922 4.817 3.185) 9.014 13.259 ( 9.705 -6.445 -6.473) 13.328 13.545 ( -6.964 -0.768 4.638) 8.402 14.208 ( 14.464 -6.454 5.483) 16.761 14.668 ( 2.742 -1.580 -10.468) 10.936 15.091 ( -2.538 -7.729 -2.045) 8.388 15.623 ( -2.328 -4.780 18.843) 19.579 15.729 ( -5.772 -10.387 5.823) 13.233 16.013 ( -2.485 -3.081 -11.750) 12.399 16.465 ( -2.375 -6.916 7.464) 10.449 18.640 ( -5.483 1.683 -1.707) 5.984 19.604 ( -0.070 7.316 10.384) 12.703 20.683 ( 4.432 -4.831 -28.976) 29.708 21.180 ( 7.627 6.108 -20.682) 22.874 25.990 ( -8.871 0.537 4.389) 9.912 26.078 ( 1.933 -1.734 11.759) 12.042 26.284 ( 5.797 -0.258 -6.754) 8.905 27.398 ( 0.361 -5.000 -15.054) 15.866 28.396 ( -1.858 3.079 6.454) 7.388 28.731 ( -1.050 -3.306 -1.333) 3.716 29.666 ( -0.618 7.297 14.469) 16.217 29.821 ( -6.472 -2.686 5.587) 8.962 29.893 ( 4.532 0.703 11.940) 12.791 30.443 ( -3.698 1.881 5.255) 6.696 30.558 ( 1.692 -0.504 5.714) 5.981 32.244 ( 7.833 6.136 -27.543) 29.285 ======================= Grid point 217 (113/186) ======================= q-point: (-0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 12.019 23.267 -4.130) 26.511 2.929 ( -4.682 5.278 -2.700) 7.555 3.226 ( -3.089 9.632 17.789) 20.463 3.566 ( -0.291 0.465 8.308) 8.326 3.926 ( -5.462 10.964 14.836) 19.240 4.124 ( -0.920 11.118 -6.281) 12.803 4.507 ( -1.184 7.428 -5.523) 9.331 4.872 ( -12.452 -6.832 4.297) 14.839 5.296 ( -0.016 9.288 -5.144) 10.617 5.562 ( -5.231 0.254 7.101) 8.823 5.806 ( 0.085 1.025 -3.003) 3.174 6.028 ( -5.492 1.960 11.941) 13.288 6.153 ( -3.100 3.372 24.619) 25.041 6.301 ( -1.285 3.533 9.647) 10.353 6.453 ( -5.279 3.521 17.551) 18.663 6.843 ( 6.084 10.505 4.817) 13.060 6.954 ( 7.116 1.504 -3.834) 8.221 7.394 ( -2.955 0.213 18.466) 18.702 7.723 ( 2.036 14.780 11.213) 18.664 7.888 ( -6.887 -3.790 15.839) 17.682 7.975 ( 2.866 2.813 -1.772) 4.389 8.433 ( -5.723 0.684 -0.489) 5.784 8.811 ( -3.653 1.982 -7.423) 8.507 8.834 ( 4.271 6.045 -6.921) 10.134 9.093 ( 0.897 5.001 -3.465) 6.150 9.459 ( 6.514 4.916 -8.632) 11.879 9.880 ( 8.650 2.087 -3.122) 9.430 10.229 ( -2.073 3.278 -11.290) 11.937 10.573 ( -2.826 -3.159 -5.808) 7.190 10.640 ( 3.099 -6.481 -6.345) 9.585 10.736 ( 0.457 -3.956 3.061) 5.023 10.956 ( 1.120 4.447 -8.992) 10.094 11.811 ( -6.354 2.712 14.713) 16.254 12.157 ( -0.579 2.677 8.789) 9.206 12.498 ( -3.182 3.316 -1.053) 4.715 13.439 ( 9.071 -6.380 -8.216) 13.802 13.532 ( -6.944 -7.925 0.112) 10.537 14.417 ( 1.094 -2.633 2.963) 4.112 14.669 ( 6.489 2.644 -11.491) 13.459 15.149 ( -0.552 -5.779 -5.890) 8.270 15.739 ( -4.364 0.878 -5.506) 7.080 15.835 ( 0.529 -14.250 17.816) 22.820 16.033 ( -6.763 -14.293 6.310) 17.025 16.570 ( 1.222 -4.805 2.302) 5.467 18.555 ( -8.138 -0.504 6.932) 10.702 19.524 ( -1.906 7.022 7.790) 10.659 20.704 ( 6.864 -4.169 -26.930) 28.102 21.108 ( 7.905 5.829 -23.141) 25.139 25.900 ( -7.835 -0.658 5.080) 9.361 26.173 ( -0.324 -3.254 12.375) 12.800 26.409 ( 16.030 -1.000 -6.133) 17.192 27.395 ( -3.382 -5.489 -14.393) 15.771 28.393 ( 1.578 0.699 7.846) 8.034 28.751 ( -1.552 -2.800 -2.322) 3.955 29.537 ( -3.831 11.418 8.863) 14.953 29.749 ( -14.415 -1.888 8.978) 17.087 30.036 ( 9.707 0.327 8.339) 12.802 30.363 ( -3.638 3.665 4.234) 6.678 30.648 ( 6.256 0.482 10.019) 11.822 32.097 ( 2.621 8.407 -28.612) 29.936 ======================= Grid point 218 (114/186) ======================= q-point: (-0.12 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 11.945 16.750 1.558) 20.632 2.746 ( -6.803 5.978 -2.360) 9.359 3.195 ( -2.620 3.467 15.362) 15.965 3.554 ( 7.663 11.907 16.817) 21.984 3.842 ( -2.505 -1.554 3.109) 4.285 3.984 ( -3.765 -0.208 -9.902) 10.596 4.427 ( 0.409 3.996 1.214) 4.196 4.803 ( -2.225 -1.667 1.103) 2.991 5.261 ( 3.806 -0.775 2.245) 4.486 5.544 ( -1.815 -0.029 7.933) 8.138 5.741 ( -3.775 8.139 2.706) 9.371 6.001 ( -2.473 -1.345 15.044) 15.305 6.133 ( -3.577 7.036 5.881) 9.843 6.248 ( 1.832 4.246 5.186) 6.948 6.386 ( -10.049 3.741 28.872) 30.799 6.788 ( 7.991 15.008 8.423) 18.975 7.001 ( 0.672 -1.037 -5.247) 5.390 7.383 ( -7.665 2.781 23.833) 25.189 7.610 ( 5.804 12.740 2.385) 14.202 7.821 ( -9.492 1.241 8.130) 12.560 8.052 ( 2.029 -3.142 1.529) 4.041 8.405 ( 1.579 -1.669 5.448) 5.912 8.637 ( 4.621 9.500 -14.867) 18.238 8.905 ( 2.306 -5.053 -2.103) 5.939 9.018 ( 1.691 4.479 -5.824) 7.539 9.386 ( 0.028 8.047 -2.855) 8.538 9.923 ( 7.930 5.262 -3.710) 10.215 10.116 ( -3.406 1.154 -9.202) 9.880 10.400 ( -6.301 5.888 -15.537) 17.770 10.739 ( 5.576 3.242 -11.305) 13.015 10.846 ( -1.530 -8.527 7.053) 11.171 11.007 ( 5.351 -8.607 4.866) 11.243 11.676 ( -9.081 4.437 6.843) 12.205 12.265 ( 5.553 -2.878 14.522) 15.812 12.433 ( 0.577 3.526 -0.864) 3.676 13.563 ( -6.327 -9.324 1.576) 11.378 13.599 ( 4.615 -8.686 -14.070) 17.167 14.363 ( -8.256 0.593 -2.703) 8.708 14.645 ( 5.247 6.261 -8.934) 12.105 15.152 ( -0.783 1.074 -11.577) 11.653 15.635 ( -3.983 0.601 -2.927) 4.979 16.022 ( -7.715 -11.492 8.652) 16.323 16.300 ( 0.127 -16.705 19.297) 25.523 16.613 ( -3.777 -3.076 -2.189) 5.341 18.516 ( -6.464 -1.881 15.425) 16.830 19.444 ( -1.317 4.384 4.718) 6.574 20.764 ( 9.568 -3.956 -23.865) 26.014 21.041 ( 8.539 5.168 -24.636) 26.581 25.852 ( -5.470 -1.617 5.625) 8.011 26.275 ( -0.144 -5.027 12.997) 13.936 26.613 ( 16.182 -0.746 -8.159) 18.137 27.352 ( -5.172 -4.652 -13.809) 15.462 28.481 ( 4.523 -2.675 8.896) 10.332 28.743 ( -3.349 -1.793 -2.944) 4.806 29.368 ( -3.102 10.672 8.769) 14.157 29.579 ( -13.170 3.713 3.468) 14.116 30.173 ( 4.644 -1.704 8.722) 10.027 30.317 ( -0.792 0.356 3.384) 3.493 30.761 ( 7.772 3.439 11.798) 14.541 31.872 ( 1.428 10.496 -27.200) 29.190 ======================= Grid point 222 (115/186) ======================= q-point: ( 0.38 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 3.032 0.000 7.587) 8.170 3.123 ( 6.056 0.000 7.804) 9.878 3.466 ( -2.355 -0.000 3.800) 4.471 4.146 ( 0.055 0.000 11.058) 11.058 4.334 ( 1.527 0.000 -0.892) 1.769 4.740 ( 10.815 0.000 1.966) 10.992 5.047 ( -25.562 -0.000 -7.217) 26.562 5.250 ( 21.865 0.000 -7.975) 23.274 5.479 ( -0.302 -0.000 -0.608) 0.679 5.481 ( -13.987 -0.000 13.557) 19.479 5.748 ( 2.894 0.000 19.046) 19.264 5.779 ( 2.091 0.000 7.870) 8.143 5.913 ( 3.288 0.000 35.376) 35.529 6.307 ( -7.027 -0.000 -7.811) 10.507 6.402 ( -2.485 -0.000 24.754) 24.878 7.058 ( 9.537 0.000 -11.101) 14.636 7.119 ( 1.972 0.000 -28.980) 29.047 7.242 ( -9.894 -0.000 33.542) 34.971 7.606 ( 6.631 0.000 -2.531) 7.097 7.703 ( 17.483 0.000 7.190) 18.903 8.319 ( 10.407 0.000 19.643) 22.230 8.510 ( 6.486 0.000 -6.155) 8.941 8.661 ( 1.843 0.000 -9.379) 9.559 8.900 ( -2.730 -0.000 4.317) 5.108 9.441 ( 10.609 0.000 -9.679) 14.361 9.531 ( 1.486 0.000 -4.242) 4.495 9.745 ( 2.490 0.000 -14.428) 14.641 10.312 ( 5.356 0.000 -3.220) 6.250 10.464 ( -2.824 -0.000 0.358) 2.846 10.516 ( 8.561 0.000 -6.049) 10.482 10.742 ( -3.376 -0.000 -1.813) 3.832 11.059 ( -7.629 -0.000 -0.516) 7.647 11.755 ( -1.846 -0.000 12.921) 13.052 12.511 ( -9.620 -0.000 -4.782) 10.743 12.783 ( -3.433 -0.000 12.285) 12.755 12.944 ( 5.594 0.000 -12.004) 13.243 13.701 ( -3.233 -0.000 -3.061) 4.453 14.421 ( 6.723 0.000 -7.744) 10.255 14.548 ( 0.327 0.000 0.234) 0.402 14.562 ( 2.436 0.000 27.070) 27.179 15.449 ( -18.986 -0.000 3.149) 19.245 15.677 ( -4.366 -0.000 11.804) 12.585 15.972 ( 7.330 0.000 -8.129) 10.946 16.327 ( -12.733 -0.000 6.907) 14.485 18.823 ( -0.954 -0.000 -11.731) 11.769 19.727 ( 2.836 0.000 12.667) 12.981 20.598 ( 2.699 0.000 -31.436) 31.551 21.313 ( 7.464 0.000 -15.268) 16.995 25.977 ( 0.686 0.000 8.603) 8.630 26.171 ( -15.818 -0.000 9.186) 18.292 26.266 ( 1.909 0.000 -11.500) 11.657 27.318 ( 4.422 0.000 -17.903) 18.441 28.538 ( 0.453 0.000 -0.864) 0.975 28.634 ( -6.140 -0.000 5.646) 8.342 29.611 ( 5.168 0.000 18.027) 18.753 29.807 ( 13.253 0.000 7.979) 15.469 29.899 ( -13.901 -0.000 12.331) 18.582 30.395 ( 1.691 0.000 -2.648) 3.142 30.577 ( -5.444 -0.000 9.950) 11.342 32.327 ( 15.619 0.000 -25.623) 30.008 ======================= Grid point 223 (116/186) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 4.532 3.002 8.409) 10.013 3.203 ( 2.082 2.654 4.824) 5.886 3.424 ( -5.200 -0.358 4.715) 7.029 4.001 ( -2.952 17.380 6.136) 18.666 4.418 ( -2.933 -6.114 3.210) 7.503 4.685 ( -23.885 -1.184 -2.999) 24.102 4.730 ( 8.588 18.957 -0.501) 20.817 5.182 ( -1.284 17.315 6.062) 18.391 5.496 ( -5.662 -4.077 3.902) 7.994 5.587 ( 9.701 -6.303 -4.361) 12.363 5.798 ( -0.600 1.707 9.175) 9.352 5.970 ( 5.867 -11.555 13.341) 18.599 6.043 ( -8.089 -2.235 16.261) 18.299 6.221 ( 2.423 3.365 8.265) 9.247 6.440 ( -6.262 2.237 31.385) 32.082 6.967 ( -1.963 -0.238 -27.117) 27.189 7.158 ( 9.966 3.580 -7.695) 13.090 7.274 ( -5.042 -1.587 26.877) 27.392 7.695 ( 6.673 -2.471 -4.285) 8.307 7.819 ( -6.571 -1.959 17.072) 18.398 8.486 ( 6.396 6.851 -1.314) 9.464 8.611 ( 4.580 -1.150 -6.867) 8.334 8.663 ( 13.917 6.738 5.276) 16.338 8.938 ( 2.862 -5.993 3.950) 7.727 9.399 ( 4.452 9.165 -5.103) 11.396 9.667 ( 0.414 4.104 -13.711) 14.318 9.689 ( 9.165 -6.053 -2.527) 11.270 10.276 ( -1.162 1.930 -3.125) 3.853 10.417 ( -3.255 -0.321 -2.469) 4.099 10.485 ( 0.368 1.382 -12.468) 12.549 10.840 ( 4.128 -2.066 -2.233) 5.128 10.979 ( -6.077 -3.562 -0.962) 7.110 11.772 ( -2.368 0.363 13.461) 13.672 12.363 ( -8.246 0.168 -3.244) 8.863 12.733 ( -7.794 2.488 7.907) 11.378 13.073 ( 10.813 -5.871 -8.075) 14.717 13.637 ( -4.459 2.741 1.415) 5.422 14.298 ( 5.029 14.251 10.751) 18.546 14.601 ( 8.107 -2.450 -10.408) 13.418 14.830 ( -1.765 -11.530 13.443) 17.798 15.345 ( -9.753 -10.133 7.834) 16.099 15.671 ( -0.734 2.938 12.323) 12.689 16.000 ( 1.358 0.058 -14.146) 14.211 16.244 ( -9.627 -6.668 9.475) 15.064 18.732 ( -2.013 3.209 -11.352) 11.967 19.773 ( 0.486 3.762 12.347) 12.917 20.538 ( 3.635 -3.964 -32.847) 33.284 21.315 ( 5.748 2.832 -15.929) 17.169 25.998 ( -9.764 0.085 4.759) 10.863 26.035 ( -3.871 -0.951 11.777) 12.434 26.288 ( 8.051 0.284 -9.451) 12.418 27.305 ( 2.583 -1.732 -17.587) 17.860 28.499 ( -1.863 4.299 3.942) 6.123 28.627 ( -2.537 -4.266 1.553) 5.200 29.712 ( -3.907 -1.094 14.207) 14.775 29.827 ( -3.454 1.051 16.352) 16.746 29.967 ( 10.674 2.859 5.948) 12.550 30.426 ( 0.962 -1.676 4.628) 5.015 30.547 ( -4.156 -0.019 6.184) 7.451 32.362 ( 8.563 2.283 -27.359) 28.759 ======================= Grid point 224 (117/186) ======================= q-point: (-0.38 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 6.004 3.520 9.390) 11.688 3.073 ( -7.432 10.202 -1.930) 12.769 3.441 ( -1.438 -4.076 6.613) 7.900 3.721 ( -3.576 17.947 2.032) 18.412 4.327 ( -9.846 9.534 9.022) 16.409 4.408 ( -10.393 8.581 -6.669) 15.037 4.640 ( -4.358 -1.739 5.008) 6.863 4.944 ( 1.397 19.895 6.936) 21.115 5.454 ( -6.755 0.854 1.223) 6.918 5.654 ( 2.967 6.269 -1.306) 7.058 5.852 ( -1.512 -2.348 4.386) 5.200 5.923 ( -9.342 -4.327 -0.249) 10.298 6.259 ( 7.228 -9.770 0.999) 12.194 6.293 ( -1.363 4.150 30.102) 30.418 6.460 ( -4.240 2.853 37.827) 38.170 6.846 ( -1.779 -1.183 -25.517) 25.606 7.184 ( 6.383 5.140 2.136) 8.469 7.368 ( 0.844 -1.900 18.599) 18.715 7.781 ( -10.521 -2.338 19.117) 21.945 7.804 ( 0.301 -4.652 -1.097) 4.789 8.410 ( 1.365 7.484 -4.212) 8.696 8.493 ( -1.946 14.992 3.341) 15.482 8.758 ( 6.188 -0.929 -3.230) 7.042 9.051 ( -0.574 6.109 1.658) 6.356 9.299 ( 6.445 8.610 0.778) 10.783 9.590 ( 7.689 4.119 -15.322) 17.631 9.880 ( 11.217 -2.735 -1.074) 11.595 10.290 ( -5.439 -8.150 -12.354) 15.768 10.332 ( 0.088 -0.105 -5.442) 5.444 10.479 ( 2.697 -1.764 -6.661) 7.400 10.806 ( -1.641 3.193 -4.192) 5.520 10.979 ( -3.692 -3.492 -4.309) 6.662 11.805 ( -3.627 -1.741 15.907) 16.408 12.285 ( -1.841 3.314 1.932) 4.255 12.590 ( -10.708 3.224 5.864) 12.627 13.248 ( 8.272 -5.847 -10.298) 14.445 13.527 ( -4.376 4.691 3.882) 7.498 14.327 ( 6.345 0.713 8.904) 10.956 14.691 ( 8.329 -0.972 -7.245) 11.082 14.959 ( 0.537 -7.463 1.445) 7.621 15.478 ( -4.431 -12.014 12.295) 17.752 15.699 ( 1.954 0.754 15.273) 15.416 15.887 ( -7.954 -0.498 -14.920) 16.915 16.352 ( -0.274 -10.570 7.248) 12.819 18.612 ( -2.807 4.108 -6.357) 8.072 19.732 ( -2.276 6.858 10.760) 12.961 20.541 ( 5.481 -6.611 -32.145) 33.272 21.263 ( 5.271 4.669 -17.822) 19.163 25.876 ( -10.617 -0.875 4.986) 11.762 26.089 ( -1.430 -2.520 11.024) 11.398 26.393 ( 14.537 -0.112 -7.970) 16.579 27.287 ( 0.323 -2.527 -16.795) 16.987 28.442 ( -1.764 2.774 6.430) 7.221 28.667 ( -0.408 -3.455 -0.751) 3.560 29.662 ( -12.005 -2.055 9.684) 15.560 29.844 ( 1.323 8.327 17.660) 19.569 30.076 ( 9.639 1.918 4.271) 10.716 30.449 ( -3.840 1.962 8.515) 9.544 30.576 ( 2.384 -4.365 7.294) 8.828 32.267 ( 1.774 4.257 -29.348) 29.708 ======================= Grid point 225 (118/186) ======================= q-point: (-0.25 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -12.049 9.235 -5.349) 16.096 3.044 ( 4.423 7.957 4.584) 10.192 3.430 ( -0.757 13.791 5.176) 14.750 3.562 ( 0.803 -3.350 6.417) 7.284 4.077 ( -19.300 2.524 0.571) 19.473 4.129 ( -3.349 17.732 9.735) 20.504 4.633 ( -2.072 -2.130 -5.078) 5.883 4.761 ( 2.337 13.837 11.423) 18.095 5.314 ( -8.420 3.032 -0.574) 8.968 5.589 ( 0.168 4.635 4.705) 6.607 5.786 ( -3.005 -0.479 -3.161) 4.388 6.001 ( -1.127 -4.256 6.338) 7.717 6.253 ( -7.761 5.270 27.189) 28.762 6.390 ( 3.139 2.047 -1.053) 3.892 6.542 ( -2.189 4.213 33.838) 34.169 6.792 ( 0.648 -6.076 -18.173) 19.173 7.196 ( 5.268 6.408 4.263) 9.327 7.454 ( -1.790 0.704 16.117) 16.231 7.708 ( -18.265 -2.919 26.598) 32.398 7.904 ( 4.838 -5.173 -4.080) 8.174 8.247 ( 2.076 20.692 5.874) 21.610 8.325 ( -2.734 0.645 -2.666) 3.873 8.779 ( -3.610 3.832 -1.820) 5.571 8.910 ( 2.252 1.974 -4.138) 5.108 9.250 ( 5.741 13.118 -1.919) 14.447 9.585 ( 7.060 4.447 -13.184) 15.602 10.011 ( 7.119 1.686 -3.675) 8.187 10.210 ( 3.113 1.257 -17.857) 18.169 10.419 ( -4.290 -9.378 -2.729) 10.667 10.527 ( 1.086 -4.294 -4.855) 6.572 10.744 ( 0.766 0.152 -1.133) 1.376 10.947 ( -1.576 -0.824 -6.237) 6.486 11.795 ( -10.624 1.771 13.912) 17.594 12.222 ( -2.193 1.864 12.067) 12.405 12.509 ( 0.862 1.139 1.064) 1.781 13.327 ( -1.742 -4.848 -10.361) 11.571 13.492 ( 3.811 -0.280 -0.680) 3.881 14.370 ( -5.017 0.558 5.550) 7.502 14.782 ( 8.279 2.292 -4.705) 9.795 15.089 ( 6.474 -4.635 -2.455) 8.332 15.606 ( -4.614 -8.165 -1.727) 9.537 15.714 ( -8.655 -3.168 5.046) 10.507 15.896 ( 5.519 -9.294 13.037) 16.935 16.514 ( 1.603 -7.060 1.409) 7.376 18.517 ( -3.322 2.430 3.483) 5.392 19.623 ( -4.032 7.853 8.096) 11.978 20.602 ( 7.910 -7.478 -29.653) 31.588 21.189 ( 5.877 5.117 -20.206) 21.657 25.801 ( -7.477 -1.983 4.880) 9.146 26.151 ( -2.061 -3.682 10.913) 11.701 26.581 ( 16.874 -1.358 -8.107) 18.770 27.252 ( -0.941 -2.587 -15.395) 15.639 28.442 ( 0.360 -0.290 7.334) 7.348 28.696 ( -0.341 -1.777 -1.615) 2.425 29.561 ( -11.541 0.233 8.299) 14.217 29.754 ( -2.747 11.953 14.623) 19.085 30.179 ( 6.463 1.603 5.870) 8.876 30.381 ( -3.736 3.116 4.343) 6.521 30.741 ( 5.675 -4.697 12.556) 14.557 32.078 ( -1.849 4.857 -30.621) 31.059 ======================= Grid point 226 (119/186) ======================= q-point: (-0.12 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -11.873 0.458 -10.335) 15.748 2.916 ( 3.067 16.462 1.773) 16.839 3.317 ( 0.106 7.131 13.966) 15.682 3.668 ( -0.057 -4.013 4.026) 5.685 3.834 ( -12.181 -2.555 -5.005) 13.415 3.949 ( -1.818 10.018 15.972) 18.941 4.592 ( 7.662 11.248 -0.952) 13.642 4.762 ( 3.538 -5.714 4.075) 7.859 5.240 ( -3.915 -3.374 4.758) 7.025 5.591 ( 2.382 0.853 8.246) 8.626 5.747 ( -3.498 0.191 -3.137) 4.702 6.009 ( -4.551 2.143 13.010) 13.948 6.202 ( -5.482 4.162 14.979) 16.485 6.346 ( 1.728 4.271 -0.119) 4.609 6.510 ( -5.257 11.426 28.908) 31.525 6.846 ( 1.320 -6.077 -11.708) 13.257 7.153 ( 3.433 9.568 1.152) 10.231 7.393 ( -12.627 3.744 21.983) 25.626 7.635 ( -13.249 -2.398 17.996) 22.476 8.019 ( 0.395 -3.752 -3.319) 5.025 8.054 ( 8.136 16.481 5.753) 19.259 8.341 ( -0.059 -5.978 2.555) 6.502 8.730 ( 3.161 -3.180 -0.849) 4.563 8.921 ( 4.384 5.650 -5.339) 8.925 9.101 ( 2.377 10.823 -5.035) 12.172 9.506 ( 0.598 7.614 -8.239) 11.235 9.955 ( -3.059 1.509 -15.013) 15.396 10.214 ( 11.233 7.777 -7.550) 15.610 10.335 ( -6.212 4.654 -7.484) 10.782 10.653 ( 2.527 -11.397 -1.634) 11.788 10.828 ( 1.994 -3.889 -1.345) 4.573 10.947 ( 1.100 -5.353 -2.416) 5.975 11.638 ( -10.591 3.497 8.329) 13.920 12.317 ( -0.864 -6.343 20.349) 21.332 12.537 ( 8.744 4.551 -2.155) 10.091 13.302 ( -7.593 -6.633 -7.654) 12.659 13.574 ( 5.289 -3.552 -6.260) 8.932 14.248 ( -10.892 3.314 1.352) 11.465 14.765 ( 2.780 7.043 -2.919) 8.115 15.177 ( 6.037 2.213 -8.002) 10.265 15.551 ( -4.437 -2.192 -2.849) 5.710 15.793 ( -7.952 -11.197 11.978) 18.223 16.213 ( 7.817 -12.794 13.419) 20.121 16.555 ( -2.294 0.507 -4.287) 4.888 18.507 ( -1.461 -0.839 13.769) 13.872 19.502 ( -3.466 5.515 4.893) 8.147 20.708 ( 9.875 -7.183 -26.345) 29.037 21.118 ( 6.885 4.557 -22.244) 23.727 25.779 ( -4.248 -2.703 5.186) 7.228 26.230 ( -2.403 -5.472 11.140) 12.642 26.728 ( 8.029 -0.193 -11.810) 14.282 27.240 ( 3.853 -2.330 -12.387) 13.180 28.514 ( 1.395 -3.690 7.316) 8.312 28.690 ( -0.939 0.359 -1.414) 1.734 29.438 ( -8.893 2.692 7.435) 11.900 29.588 ( -4.278 11.962 12.084) 17.533 30.229 ( 0.181 1.047 7.211) 7.289 30.338 ( 0.101 1.103 3.608) 3.774 30.894 ( 2.590 -0.606 11.187) 11.499 31.887 ( 2.520 4.051 -29.326) 29.712 ======================= Grid point 231 (120/186) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 4.242 0.000 6.151) 7.471 3.281 ( 0.345 0.000 11.443) 11.448 3.335 ( -9.882 -0.000 3.443) 10.465 4.148 ( -19.315 -0.000 -3.233) 19.584 4.198 ( -3.443 -0.000 12.297) 12.770 4.397 ( -13.463 -0.000 -4.310) 14.136 5.021 ( 6.979 0.000 2.456) 7.399 5.273 ( -7.218 -0.000 9.537) 11.961 5.422 ( -2.656 -0.000 3.794) 4.632 5.648 ( 10.872 0.000 -4.284) 11.686 5.818 ( -1.550 -0.000 -0.973) 1.830 5.876 ( -16.223 -0.000 4.419) 16.814 6.021 ( 6.821 0.000 8.182) 10.652 6.373 ( 1.035 0.000 24.594) 24.616 6.523 ( -3.981 -0.000 40.757) 40.951 6.819 ( -3.579 -0.000 -25.740) 25.987 7.272 ( 9.361 0.000 -11.125) 14.539 7.301 ( -4.144 -0.000 24.875) 25.218 7.720 ( 3.885 0.000 -7.531) 8.474 7.752 ( -12.963 -0.000 19.962) 23.802 8.526 ( 0.294 0.000 -7.463) 7.468 8.610 ( 3.886 0.000 -9.601) 10.358 8.818 ( -7.104 -0.000 1.341) 7.230 9.175 ( 29.763 0.000 12.174) 32.157 9.543 ( 6.379 0.000 -14.617) 15.948 9.586 ( -1.464 -0.000 -2.808) 3.166 9.801 ( 12.148 0.000 2.568) 12.417 10.201 ( -8.754 -0.000 -12.428) 15.201 10.286 ( -10.369 -0.000 2.954) 10.782 10.485 ( 5.328 0.000 -13.837) 14.827 10.843 ( -9.109 -0.000 -0.922) 9.156 10.897 ( 4.515 0.000 -3.176) 5.520 11.778 ( -4.665 -0.000 12.642) 13.475 12.321 ( 1.810 0.000 2.642) 3.203 12.639 ( -14.277 -0.000 6.206) 15.567 13.149 ( 12.592 0.000 -9.437) 15.736 13.610 ( -3.367 -0.000 -2.304) 4.080 14.457 ( -2.484 -0.000 7.727) 8.117 14.681 ( 13.610 0.000 -12.322) 18.359 14.783 ( -1.852 -0.000 18.349) 18.443 15.284 ( 4.407 0.000 17.194) 17.750 15.754 ( 2.412 0.000 11.841) 12.084 15.872 ( -11.696 -0.000 -14.304) 18.477 16.148 ( -2.230 -0.000 6.135) 6.528 18.693 ( -0.689 -0.000 -11.677) 11.698 19.838 ( -2.171 -0.000 12.171) 12.363 20.428 ( 5.161 0.000 -35.023) 35.401 21.333 ( 3.832 0.000 -15.234) 15.709 25.862 ( -11.871 -0.000 5.023) 12.889 26.051 ( -1.499 -0.000 10.867) 10.970 26.394 ( 13.711 0.000 -9.293) 16.564 27.252 ( 1.706 0.000 -17.859) 17.940 28.517 ( -6.200 -0.000 5.515) 8.298 28.583 ( 3.027 0.000 0.869) 3.149 29.632 ( -10.183 -0.000 10.052) 14.309 29.972 ( 7.212 0.000 21.522) 22.698 30.105 ( 5.706 0.000 2.014) 6.051 30.455 ( 0.283 0.000 12.204) 12.207 30.516 ( -3.339 -0.000 3.232) 4.647 32.328 ( 1.037 0.000 -29.158) 29.177 ======================= Grid point 232 (121/186) ======================= q-point: (-0.38 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( -9.801 6.822 -1.492) 12.034 3.160 ( -0.523 4.642 13.279) 14.077 3.381 ( -2.612 -6.238 10.658) 12.623 3.791 ( -18.524 6.228 -2.938) 19.763 4.136 ( -12.575 4.280 5.741) 14.471 4.367 ( -2.176 -7.107 3.856) 8.373 4.864 ( -1.556 23.558 4.350) 24.007 5.169 ( -5.086 7.708 4.189) 10.140 5.421 ( -1.404 3.127 4.069) 5.321 5.685 ( -15.240 -2.465 4.771) 16.158 5.773 ( -2.062 1.333 -4.407) 5.045 5.808 ( 6.978 -5.814 0.072) 9.083 6.201 ( 6.176 -9.436 -0.064) 11.277 6.400 ( -9.608 3.182 34.228) 35.693 6.650 ( 0.239 2.866 26.264) 26.421 6.694 ( -3.673 -1.708 -6.631) 7.770 7.288 ( 1.962 2.584 2.006) 3.815 7.397 ( 1.034 -4.232 7.736) 8.878 7.651 ( -16.114 -0.680 20.381) 25.991 7.745 ( 1.235 -3.971 -8.670) 9.616 8.435 ( -1.129 7.572 -7.484) 10.706 8.601 ( -2.881 2.950 -4.812) 6.336 8.767 ( 0.284 -5.069 -2.931) 5.862 9.282 ( -1.345 18.658 4.497) 19.240 9.538 ( 10.563 5.960 2.912) 12.474 9.616 ( 3.783 -0.816 -13.168) 13.725 9.999 ( 12.077 -1.811 6.460) 13.815 10.061 ( -6.284 -5.854 -18.287) 20.203 10.242 ( -3.185 -4.845 -0.066) 5.798 10.509 ( 8.068 1.369 -12.806) 15.197 10.754 ( -5.967 -3.143 -2.268) 7.115 10.902 ( -1.074 0.707 -2.188) 2.538 11.763 ( -7.789 -1.580 13.554) 15.712 12.356 ( -3.648 5.489 5.611) 8.656 12.482 ( -5.909 -2.786 4.088) 7.707 13.269 ( 9.428 -0.635 -10.561) 14.172 13.541 ( -1.762 1.979 -3.707) 4.557 14.439 ( -0.589 3.089 9.386) 9.899 14.786 ( 10.962 1.013 -1.913) 11.174 14.927 ( 7.803 -6.697 3.722) 10.936 15.455 ( 3.897 0.810 18.687) 19.106 15.673 ( -11.450 -3.562 -11.108) 16.346 15.821 ( 4.528 2.724 12.045) 13.153 16.228 ( 0.107 -10.591 4.264) 11.418 18.624 ( 0.276 3.584 -8.033) 8.801 19.811 ( -4.663 4.355 11.317) 12.992 20.404 ( 7.343 -5.157 -34.794) 35.932 21.297 ( 3.094 2.244 -16.068) 16.517 25.756 ( -8.675 -0.989 4.528) 9.836 26.079 ( -2.509 -1.413 11.009) 11.380 26.553 ( 16.183 -0.534 -9.704) 18.877 27.206 ( 1.166 -0.814 -17.061) 17.121 28.456 ( -4.471 0.899 5.764) 7.350 28.644 ( 2.983 -1.583 0.842) 3.480 29.550 ( -9.548 -0.270 9.470) 13.450 30.061 ( 2.659 9.059 14.785) 17.542 30.203 ( 7.520 -1.060 6.137) 9.764 30.457 ( -4.187 1.903 5.125) 6.886 30.565 ( 0.929 -5.847 13.599) 14.832 32.162 ( -6.078 1.464 -31.101) 31.723 ======================= Grid point 233 (122/186) ======================= q-point: (-0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -19.595 11.506 -1.150) 22.752 3.180 ( -0.472 3.488 11.331) 11.865 3.483 ( -5.682 0.662 -0.464) 5.739 3.514 ( -12.380 -6.015 10.377) 17.237 3.914 ( -9.793 8.866 3.780) 13.740 4.435 ( 0.997 14.719 11.708) 18.834 4.526 ( -3.867 3.208 -3.237) 5.977 4.989 ( -8.156 6.767 2.212) 10.827 5.311 ( -0.051 10.774 4.502) 11.676 5.605 ( -9.555 -3.291 10.234) 14.383 5.724 ( 0.003 0.673 -5.712) 5.752 5.965 ( 3.381 -5.353 3.724) 7.346 6.300 ( -8.312 1.760 18.906) 20.727 6.406 ( -0.455 -1.881 8.312) 8.535 6.609 ( -2.970 -6.462 -12.040) 13.984 6.767 ( -0.208 5.518 35.455) 35.883 7.280 ( -1.604 1.165 2.832) 3.457 7.435 ( -9.326 -2.093 6.521) 11.570 7.555 ( -10.370 -1.564 16.657) 19.684 7.806 ( -1.148 -8.871 -5.718) 10.616 8.255 ( -3.599 8.300 -5.558) 10.617 8.502 ( -2.402 2.316 -0.256) 3.346 8.851 ( 1.366 3.923 0.482) 4.181 8.976 ( -1.692 11.850 1.890) 12.118 9.523 ( 6.295 11.585 -1.919) 13.324 9.578 ( -4.054 -0.876 -12.152) 12.841 9.967 ( -5.079 -2.890 -20.984) 21.782 10.226 ( 8.644 -8.051 5.077) 12.857 10.309 ( 5.529 -0.869 -5.686) 7.979 10.545 ( 7.001 1.739 -7.037) 10.077 10.744 ( 0.393 0.362 -3.288) 3.331 10.869 ( -2.554 -2.425 -2.264) 4.187 11.704 ( -12.799 -0.117 12.383) 17.809 12.193 ( -11.662 -0.506 13.196) 17.618 12.582 ( 8.790 -0.978 0.695) 8.871 13.277 ( 2.859 3.598 -11.818) 12.680 13.529 ( 3.823 -0.448 -4.735) 6.102 14.395 ( -3.432 6.110 9.064) 11.457 14.905 ( 8.191 2.348 0.690) 8.549 15.142 ( 10.902 -4.223 -0.141) 11.693 15.436 ( -5.914 -5.097 -10.699) 13.244 15.626 ( -3.177 1.454 14.333) 14.753 15.962 ( 9.364 -4.035 13.165) 16.651 16.425 ( 2.333 -10.506 2.416) 11.030 18.557 ( 0.662 3.997 0.809) 4.132 19.698 ( -6.290 7.335 9.400) 13.480 20.477 ( 9.720 -8.580 -32.339) 34.841 21.231 ( 3.458 3.286 -18.042) 18.662 25.709 ( -4.927 -2.128 4.601) 7.070 26.115 ( -3.138 -2.816 10.897) 11.684 26.707 ( 10.845 -1.020 -12.070) 16.259 27.189 ( 5.248 -1.282 -14.109) 15.108 28.437 ( -2.926 -1.710 5.775) 6.696 28.696 ( 2.771 -0.093 0.688) 2.857 29.470 ( -8.490 0.538 8.881) 12.298 29.959 ( -2.310 13.160 13.254) 18.820 30.294 ( 3.690 2.801 5.821) 7.439 30.385 ( -3.987 2.113 4.091) 6.091 30.762 ( 3.438 -8.229 14.824) 17.300 31.928 ( -7.811 -0.444 -31.835) 32.782 ======================= Grid point 234 (123/186) ======================= q-point: (-0.12 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -20.154 4.241 -6.391) 21.564 3.107 ( -3.287 8.987 7.871) 12.390 3.324 ( -14.273 -6.333 9.687) 18.375 3.648 ( -1.960 -8.972 9.474) 13.194 3.692 ( -2.752 12.105 1.274) 12.479 4.159 ( -0.930 16.393 7.090) 17.885 4.649 ( 3.824 -8.554 -3.451) 9.986 4.851 ( -1.787 2.930 6.108) 7.006 5.217 ( 0.447 5.161 5.325) 7.429 5.602 ( -6.383 -4.128 13.173) 15.208 5.700 ( 0.907 0.530 -5.609) 5.706 6.050 ( -0.592 0.869 10.759) 10.810 6.233 ( -9.342 2.483 25.244) 27.032 6.389 ( -0.610 1.692 -3.985) 4.372 6.643 ( -6.847 -1.633 7.026) 9.946 6.789 ( 4.298 4.056 4.478) 7.415 7.200 ( -11.239 0.803 9.334) 14.632 7.344 ( -11.343 0.164 15.291) 19.040 7.535 ( -3.543 -0.852 4.522) 5.807 7.870 ( -8.476 -9.346 -1.160) 12.671 8.130 ( -2.138 1.654 -1.374) 3.033 8.497 ( 6.067 4.746 4.839) 9.097 8.682 ( -3.540 1.835 1.343) 4.208 9.019 ( 5.738 -0.652 -1.212) 5.901 9.371 ( 5.173 18.921 -2.818) 19.817 9.458 ( -8.622 -1.055 -11.721) 14.589 9.849 ( -3.777 -0.476 -20.479) 20.830 10.315 ( 5.330 4.598 -8.538) 11.066 10.502 ( 11.038 1.613 2.957) 11.540 10.516 ( -0.255 -4.706 -1.030) 4.824 10.764 ( 1.352 -4.863 -2.983) 5.863 10.880 ( 0.290 -2.721 -8.403) 8.837 11.580 ( -8.978 1.647 10.920) 14.232 12.227 ( -7.362 -9.726 20.475) 23.833 12.696 ( 8.475 0.276 -2.071) 8.728 13.194 ( 1.045 4.332 -11.637) 12.461 13.577 ( 4.492 -1.331 -6.156) 7.736 14.245 ( -6.488 10.428 6.006) 13.672 14.894 ( 1.098 7.076 1.882) 7.404 15.239 ( 5.060 1.484 -11.728) 12.858 15.478 ( 2.951 -5.601 0.392) 6.343 15.660 ( -3.383 -3.550 15.487) 16.245 16.230 ( 10.012 -8.060 9.900) 16.223 16.522 ( -0.267 -0.538 -3.407) 3.459 18.561 ( 1.705 0.897 11.976) 12.130 19.548 ( -6.043 6.557 6.610) 11.099 20.616 ( 11.277 -9.282 -29.064) 32.527 21.158 ( 4.321 3.191 -20.452) 21.145 25.724 ( -1.239 -2.775 5.113) 5.948 26.164 ( -3.831 -4.309 10.466) 11.949 26.709 ( -2.309 0.470 -15.006) 15.190 27.285 ( 13.235 -1.215 -10.294) 16.811 28.465 ( -3.372 -4.118 4.886) 7.225 28.722 ( 2.626 1.592 1.483) 3.410 29.399 ( -5.177 1.373 8.053) 9.671 29.765 ( -5.641 13.815 13.225) 19.939 30.259 ( -3.243 2.798 4.059) 5.901 30.376 ( 0.463 0.708 6.900) 6.951 30.898 ( -4.226 -2.586 7.570) 9.047 31.805 ( 3.360 -5.344 -27.644) 28.355 ======================= Grid point 240 (124/186) ======================= q-point: (-0.38 -0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -18.044 -0.000 0.765) 18.061 3.262 ( 1.653 0.000 11.684) 11.801 3.277 ( -14.006 -0.000 20.970) 25.217 3.531 ( -17.955 -0.000 -3.903) 18.375 4.166 ( -6.837 -0.000 13.788) 15.390 4.260 ( -0.688 -0.000 -0.957) 1.178 5.023 ( -7.710 -0.000 6.229) 9.912 5.100 ( -16.791 -0.000 -5.622) 17.708 5.355 ( -5.109 -0.000 7.709) 9.248 5.663 ( 3.036 0.000 11.323) 11.723 5.677 ( -3.008 -0.000 -8.337) 8.863 5.865 ( 4.172 0.000 -0.430) 4.194 6.186 ( 3.655 0.000 -3.767) 5.249 6.432 ( -11.546 -0.000 40.397) 42.015 6.525 ( -5.628 -0.000 -16.312) 17.255 6.842 ( -2.870 -0.000 44.050) 44.143 7.328 ( 2.883 0.000 -14.458) 14.743 7.336 ( -10.423 -0.000 10.989) 15.146 7.549 ( -11.847 -0.000 25.091) 27.747 7.669 ( -0.750 -0.000 -14.185) 14.205 8.468 ( -2.108 -0.000 -6.277) 6.622 8.589 ( -6.053 -0.000 -3.833) 7.164 8.665 ( 5.711 0.000 -10.018) 11.531 9.397 ( -3.784 -0.000 -11.185) 11.808 9.460 ( -7.637 -0.000 -2.287) 7.972 9.729 ( -5.267 -0.000 8.856) 10.304 9.840 ( -5.602 -0.000 -22.389) 23.079 10.148 ( 7.677 0.000 7.760) 10.916 10.260 ( 11.472 0.000 1.187) 11.533 10.618 ( 13.593 0.000 -11.782) 17.989 10.635 ( -3.926 -0.000 -2.406) 4.604 10.897 ( -1.314 -0.000 -0.196) 1.328 11.683 ( -10.687 -0.000 12.105) 16.148 12.222 ( -18.439 -0.000 6.291) 19.483 12.552 ( 9.905 0.000 1.495) 10.017 13.369 ( 10.993 0.000 -8.970) 14.188 13.512 ( 0.078 0.000 -7.995) 7.995 14.475 ( 0.061 0.000 4.792) 4.792 14.965 ( 8.087 0.000 9.550) 12.514 15.017 ( 15.636 0.000 1.798) 15.739 15.389 ( -13.568 -0.000 -18.234) 22.728 15.728 ( 11.854 0.000 30.578) 32.795 15.985 ( 9.271 0.000 10.968) 14.361 16.114 ( -3.506 -0.000 0.783) 3.592 18.638 ( 2.187 0.000 -6.496) 6.855 19.819 ( -6.325 -0.000 11.937) 13.509 20.330 ( 9.411 0.000 -35.656) 36.877 21.280 ( 1.902 0.000 -15.926) 16.039 25.677 ( -5.222 -0.000 4.412) 6.836 26.076 ( -3.390 -0.000 11.347) 11.843 26.690 ( 11.704 0.000 -12.641) 17.228 27.171 ( 5.506 0.000 -15.123) 16.094 28.416 ( -5.183 -0.000 5.246) 7.374 28.692 ( 4.459 0.000 1.691) 4.769 29.478 ( -7.511 -0.000 8.931) 11.669 30.181 ( 1.443 0.000 0.047) 1.444 30.383 ( 10.816 0.000 22.408) 24.882 30.423 ( -4.664 -0.000 -0.013) 4.664 30.554 ( -3.992 -0.000 17.289) 17.744 31.912 ( -14.207 -0.000 -32.916) 35.852 ======================= Grid point 241 (125/186) ======================= q-point: (-0.25 -0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -24.494 11.327 3.959) 27.276 3.138 ( -23.202 -3.814 22.005) 32.204 3.291 ( -7.589 2.820 6.346) 10.287 3.423 ( -2.886 -6.235 8.426) 10.872 4.011 ( -4.707 11.022 6.965) 13.862 4.364 ( -2.883 -11.376 3.018) 12.118 4.725 ( -14.803 12.884 -6.742) 20.751 4.899 ( -5.257 7.317 9.787) 13.302 5.400 ( -5.826 -5.080 6.766) 10.273 5.540 ( -1.279 6.458 -4.587) 8.024 5.746 ( 2.255 3.213 5.292) 6.589 5.932 ( -0.355 -6.009 3.059) 6.753 6.233 ( -4.360 -4.556 4.764) 7.903 6.411 ( -3.463 0.879 1.865) 4.031 6.480 ( -4.985 -3.144 20.012) 20.861 6.939 ( -5.039 2.235 38.065) 38.462 7.170 ( -19.674 -1.573 6.446) 20.763 7.292 ( -3.923 -1.708 -9.765) 10.662 7.541 ( -1.475 0.846 9.303) 9.457 7.641 ( -4.132 -5.322 -1.908) 7.003 8.366 ( -0.681 11.290 -8.364) 14.067 8.425 ( -3.824 0.336 -4.992) 6.297 8.807 ( 1.757 -10.508 -8.190) 13.438 9.134 ( -8.320 14.921 -0.117) 17.084 9.384 ( -8.111 -3.592 -13.350) 16.029 9.655 ( -6.225 1.206 7.987) 10.198 9.748 ( -2.131 -4.405 -20.727) 21.297 10.259 ( 5.204 -2.035 3.377) 6.529 10.407 ( 7.836 -1.745 -2.090) 8.296 10.590 ( 1.872 1.510 -3.719) 4.429 10.779 ( 9.707 -3.497 -9.472) 14.006 10.849 ( -1.366 5.132 2.234) 5.761 11.605 ( -8.939 -0.049 13.612) 16.284 12.061 ( -12.762 -1.977 11.987) 17.620 12.662 ( 6.350 -1.275 -3.944) 7.583 13.392 ( 7.505 7.797 -9.688) 14.525 13.542 ( 5.658 -2.471 -6.899) 9.258 14.475 ( -0.017 3.794 3.575) 5.213 15.038 ( -0.322 4.904 4.528) 6.682 15.235 ( -1.097 -8.224 -11.023) 13.797 15.256 ( 14.474 -1.224 -1.207) 14.576 15.827 ( 3.288 14.529 19.945) 24.893 16.096 ( 9.846 -2.124 10.568) 14.599 16.322 ( 6.667 -13.203 8.132) 16.879 18.633 ( 2.995 2.863 0.030) 4.143 19.740 ( -7.427 5.377 11.196) 14.471 20.371 ( 11.542 -6.543 -33.871) 36.377 21.226 ( 1.814 1.422 -17.302) 17.455 25.663 ( -1.284 -1.360 4.901) 5.246 26.084 ( -3.942 -1.440 11.376) 12.125 26.709 ( -0.437 -0.206 -15.963) 15.970 27.257 ( 15.323 -0.611 -11.095) 18.928 28.383 ( -4.629 -1.546 5.091) 7.053 28.752 ( 4.192 0.514 1.651) 4.535 29.427 ( -5.250 0.580 8.359) 9.888 30.131 ( -1.985 9.183 4.432) 10.388 30.342 ( -4.980 1.906 0.719) 5.380 30.443 ( -0.339 6.701 15.099) 16.523 30.728 ( 1.867 -9.510 15.312) 18.121 31.612 ( -14.319 -6.068 -31.700) 35.310 ======================= Grid point 242 (126/186) ======================= q-point: (-0.12 -0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -26.544 10.666 2.724) 28.736 3.014 ( -21.525 -10.214 20.851) 31.661 3.172 ( -7.283 5.229 11.027) 14.212 3.543 ( -2.567 -7.926 10.650) 13.522 3.855 ( -0.623 9.142 3.559) 9.830 4.371 ( -6.713 14.428 -4.606) 16.566 4.471 ( -7.359 -11.703 1.565) 13.913 4.870 ( 4.149 0.326 10.664) 11.448 5.309 ( -4.554 5.288 -3.737) 7.916 5.525 ( -1.558 -3.881 7.821) 8.868 5.726 ( -0.488 2.997 4.492) 5.422 6.022 ( -3.521 -7.706 6.108) 10.444 6.215 ( -11.530 -0.652 23.333) 26.035 6.375 ( -0.507 1.480 -1.927) 2.482 6.561 ( -1.932 -3.011 11.615) 12.154 6.857 ( -12.503 4.248 -6.925) 14.911 7.071 ( -11.150 -3.883 35.772) 37.670 7.207 ( -10.244 -2.515 -3.654) 11.163 7.556 ( 5.633 1.128 -6.039) 8.335 7.653 ( -9.909 -4.882 11.827) 16.184 8.165 ( -1.481 7.799 -6.441) 10.223 8.456 ( 0.198 -8.854 -3.543) 9.539 8.760 ( -6.870 9.014 1.954) 11.500 8.999 ( -0.265 -5.335 -6.447) 8.372 9.270 ( -6.916 -1.653 -12.310) 14.216 9.572 ( -4.537 4.984 3.399) 7.549 9.726 ( 1.730 -2.343 -15.585) 15.855 10.390 ( 5.283 -3.082 -2.411) 6.574 10.450 ( 4.405 1.030 -5.448) 7.082 10.629 ( 1.318 -4.896 -1.726) 5.356 10.740 ( -3.379 3.682 1.350) 5.177 10.863 ( 7.295 2.378 -10.233) 12.790 11.585 ( -1.286 1.854 15.740) 15.901 12.060 ( -9.383 -8.713 17.690) 21.838 12.711 ( 1.275 -2.340 -8.439) 8.850 13.330 ( 8.181 9.231 -9.779) 15.740 13.616 ( 7.251 0.182 -5.316) 8.993 14.372 ( -1.539 10.755 1.174) 10.928 14.933 ( -5.133 1.730 -2.471) 5.954 15.306 ( 8.645 3.105 -14.862) 17.472 15.462 ( 6.062 -7.003 8.665) 12.683 15.763 ( 2.688 8.397 17.987) 20.032 16.312 ( 9.711 -3.695 8.558) 13.461 16.528 ( 4.727 -0.641 2.022) 5.181 18.660 ( 3.449 1.878 10.353) 11.072 19.586 ( -7.906 7.471 8.985) 14.109 20.517 ( 12.957 -9.664 -30.965) 34.931 21.156 ( 2.462 1.888 -19.643) 19.887 25.718 ( 2.495 -2.275 5.687) 6.613 26.103 ( -4.543 -2.593 10.718) 11.927 26.587 ( -7.589 0.221 -14.984) 16.798 27.439 ( 17.530 0.673 -9.235) 19.825 28.376 ( -5.216 -3.106 4.795) 7.736 28.790 ( 3.064 1.717 1.654) 3.883 29.410 ( -0.448 0.446 7.649) 7.675 29.905 ( -9.896 13.678 7.337) 18.408 30.272 ( -2.959 3.120 5.612) 7.070 30.415 ( -2.357 1.602 9.888) 10.291 30.768 ( -13.287 -3.002 -1.354) 13.689 31.614 ( 6.017 -15.957 -20.025) 26.303 ======================= Grid point 249 (127/186) ======================= q-point: (-0.25 -0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -27.106 -0.000 8.355) 28.365 2.866 ( -28.752 -0.000 24.693) 37.900 3.294 ( -9.159 -0.000 17.849) 20.061 3.329 ( -5.008 -0.000 12.394) 13.368 4.098 ( -16.038 -0.000 -2.750) 16.272 4.115 ( -4.998 -0.000 13.933) 14.803 4.592 ( -3.909 -0.000 -12.478) 13.076 4.999 ( -2.356 -0.000 10.857) 11.110 5.363 ( 1.129 0.000 8.957) 9.028 5.462 ( -8.709 -0.000 -15.185) 17.505 5.791 ( -9.719 -0.000 2.994) 10.169 5.911 ( 3.699 0.000 13.670) 14.162 6.152 ( -6.285 -0.000 8.435) 10.519 6.391 ( 0.493 0.000 -3.329) 3.365 6.515 ( -4.977 -0.000 30.723) 31.123 6.876 ( -21.360 -0.000 -5.403) 22.032 7.027 ( -9.110 -0.000 43.900) 44.835 7.166 ( -4.373 -0.000 -18.230) 18.747 7.582 ( 6.086 0.000 -13.075) 14.422 7.583 ( -5.592 -0.000 23.243) 23.907 8.321 ( -3.417 -0.000 -2.469) 4.216 8.541 ( 2.933 0.000 -10.912) 11.299 8.557 ( -8.231 -0.000 -17.912) 19.712 9.140 ( -11.113 -0.000 -1.519) 11.217 9.170 ( -7.558 -0.000 -14.250) 16.130 9.589 ( -6.113 -0.000 9.252) 11.090 9.658 ( 1.360 0.000 -13.979) 14.045 10.281 ( 0.544 0.000 2.841) 2.892 10.467 ( 6.809 0.000 0.489) 6.827 10.595 ( -2.593 -0.000 -6.900) 7.371 10.786 ( 0.565 0.000 -6.118) 6.144 10.945 ( 7.377 0.000 -0.532) 7.396 11.614 ( 0.145 0.000 17.815) 17.816 11.943 ( -10.506 -0.000 13.021) 16.730 12.675 ( 1.600 0.000 -9.213) 9.351 13.503 ( 4.351 0.000 -9.428) 10.383 13.602 ( 12.136 0.000 -5.813) 13.457 14.521 ( 1.674 0.000 -0.894) 1.898 14.965 ( -7.998 -0.000 -13.368) 15.578 15.214 ( 7.379 0.000 -2.099) 7.672 15.439 ( 11.607 0.000 5.436) 12.817 16.023 ( -2.418 -0.000 2.628) 3.571 16.253 ( 11.989 0.000 16.068) 20.048 16.437 ( 17.323 0.000 19.799) 26.308 18.703 ( 4.021 0.000 3.298) 5.201 19.734 ( -7.686 -0.000 11.904) 14.170 20.344 ( 13.236 0.000 -33.638) 36.149 21.184 ( 1.301 0.000 -18.037) 18.084 25.681 ( 2.320 0.000 5.821) 6.266 26.068 ( -4.271 -0.000 11.890) 12.634 26.587 ( -7.440 -0.000 -16.027) 17.670 27.449 ( 20.900 0.000 -9.198) 22.835 28.330 ( -5.056 -0.000 4.976) 7.093 28.817 ( 4.109 0.000 1.478) 4.367 29.414 ( -2.081 -0.000 7.394) 7.681 30.155 ( -6.274 -0.000 -3.945) 7.411 30.312 ( -1.858 -0.000 5.229) 5.549 30.525 ( -7.471 -0.000 14.379) 16.204 30.688 ( -9.362 -0.000 3.615) 10.036 31.266 ( -6.153 -0.000 -18.331) 19.336 ======================= Grid point 250 (128/186) ======================= q-point: (-0.12 -0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -27.316 13.860 12.969) 33.264 2.658 ( -27.492 -11.435 24.956) 38.851 3.198 ( -7.872 5.655 19.263) 21.564 3.439 ( -3.398 -9.652 17.901) 20.619 3.882 ( -10.144 -0.593 -0.465) 10.172 4.156 ( -8.742 -6.117 11.209) 15.475 4.479 ( 0.055 7.578 -15.448) 17.207 5.005 ( 2.852 2.124 10.927) 11.491 5.265 ( -10.750 1.314 -8.134) 13.544 5.449 ( 1.008 -6.255 5.049) 8.102 5.691 ( -7.175 -0.494 1.567) 7.361 5.973 ( -2.181 0.421 14.377) 14.547 6.117 ( -12.991 -2.172 21.630) 25.325 6.367 ( -4.392 -0.658 -0.663) 4.490 6.546 ( -11.059 -3.057 5.063) 12.542 6.636 ( -8.967 1.231 4.902) 10.293 7.058 ( -5.426 0.622 7.861) 9.572 7.109 ( -0.407 -1.446 14.405) 14.483 7.578 ( -8.995 0.634 18.483) 20.565 7.641 ( 10.135 0.434 -8.509) 13.241 8.223 ( -5.972 9.363 -4.938) 12.154 8.329 ( -1.026 -4.241 -9.762) 10.693 8.640 ( -3.959 -9.296 -11.674) 15.440 8.927 ( -7.594 3.716 -1.197) 8.539 9.096 ( -7.288 -5.033 -10.796) 13.964 9.549 ( -2.241 1.518 2.521) 3.698 9.668 ( 1.103 -3.413 -6.992) 7.858 10.348 ( -0.746 -7.069 -3.446) 7.900 10.504 ( 0.179 -1.050 -7.613) 7.687 10.575 ( 5.649 0.851 4.341) 7.175 10.731 ( -2.963 2.246 -4.675) 5.973 10.994 ( 6.033 4.677 -2.907) 8.168 11.702 ( 2.456 1.665 18.025) 18.268 11.921 ( -6.731 -4.587 16.285) 18.208 12.636 ( -2.299 -1.156 -11.743) 12.021 13.493 ( 6.671 5.089 -9.264) 12.499 13.728 ( 11.571 1.033 -4.946) 12.626 14.476 ( 0.259 6.711 -5.906) 8.943 14.846 ( -3.463 -0.692 -11.216) 11.759 15.325 ( 6.422 -5.748 -12.874) 15.493 15.535 ( 2.328 2.138 8.298) 8.880 15.999 ( 4.383 6.478 13.409) 15.523 16.431 ( 8.557 -0.702 3.834) 9.403 16.705 ( 13.459 5.698 15.710) 21.457 18.769 ( 3.398 1.333 10.157) 10.793 19.619 ( -9.355 6.802 9.831) 15.180 20.447 ( 14.577 -7.201 -31.396) 35.356 21.122 ( 1.741 0.803 -19.860) 19.952 25.766 ( 5.228 -1.664 6.696) 8.656 26.067 ( -4.303 -0.729 11.854) 12.631 26.424 ( -8.680 -0.312 -11.917) 14.746 27.670 ( 20.121 2.807 -8.501) 22.022 28.294 ( -5.635 -1.539 5.037) 7.713 28.856 ( 2.675 1.692 1.140) 3.364 29.449 ( 3.116 -1.111 5.463) 6.386 29.928 ( -14.210 10.675 -2.256) 17.915 30.326 ( 0.206 1.446 8.648) 8.771 30.417 ( -19.876 -0.865 -3.213) 20.152 30.455 ( -11.108 -1.485 1.635) 11.326 31.429 ( 10.520 -16.218 -4.693) 19.892 ======================= Grid point 258 (129/186) ======================= q-point: (-0.12 -0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -18.681 -0.000 20.106) 27.445 2.254 ( -28.938 -0.000 29.205) 41.114 3.240 ( -8.547 -0.000 13.404) 15.897 3.409 ( -1.367 -0.000 25.840) 25.876 3.709 ( -7.968 -0.000 7.229) 10.759 4.125 ( -2.157 -0.000 9.584) 9.823 4.496 ( 2.153 0.000 -16.951) 17.087 4.942 ( -21.883 -0.000 -11.286) 24.622 5.091 ( 1.284 0.000 10.870) 10.946 5.479 ( 2.387 0.000 -2.395) 3.381 5.675 ( 0.274 0.000 8.728) 8.732 5.943 ( -9.254 -0.000 12.569) 15.608 6.011 ( -18.635 -0.000 28.448) 34.009 6.265 ( -7.652 -0.000 -6.469) 10.020 6.360 ( -6.653 -0.000 -0.456) 6.669 6.656 ( -3.093 -0.000 14.538) 14.864 7.096 ( 8.771 0.000 -10.283) 13.516 7.164 ( -3.638 -0.000 29.290) 29.515 7.535 ( -10.515 -0.000 15.030) 18.343 7.748 ( 10.875 0.000 -7.245) 13.067 8.176 ( -7.780 -0.000 -7.579) 10.861 8.257 ( 1.212 0.000 -7.292) 7.392 8.496 ( 1.333 0.000 -13.582) 13.647 8.799 ( -17.109 -0.000 9.570) 19.604 8.964 ( 1.098 0.000 -13.193) 13.239 9.558 ( -2.811 -0.000 3.460) 4.457 9.635 ( 3.463 0.000 -7.955) 8.676 10.258 ( -2.620 -0.000 -0.450) 2.658 10.409 ( -3.220 -0.000 -9.915) 10.425 10.682 ( -3.430 -0.000 -8.131) 8.825 10.739 ( 10.360 0.000 8.589) 13.458 11.082 ( 3.288 0.000 -0.470) 3.322 11.741 ( -5.907 -0.000 11.698) 13.104 11.959 ( 3.438 0.000 22.162) 22.427 12.538 ( -4.119 -0.000 -12.177) 12.855 13.573 ( 6.629 0.000 -8.517) 10.793 13.866 ( 11.592 0.000 -5.728) 12.930 14.499 ( 0.709 0.000 -13.187) 13.206 14.762 ( -1.329 -0.000 -13.138) 13.205 15.276 ( 2.271 0.000 -13.663) 13.850 15.578 ( -1.524 -0.000 4.898) 5.129 16.156 ( 5.327 0.000 15.819) 16.692 16.505 ( 3.008 0.000 -2.552) 3.945 17.034 ( 15.642 0.000 14.782) 21.522 18.845 ( -0.983 -0.000 11.911) 11.952 19.567 ( -13.311 -0.000 7.663) 15.360 20.466 ( 16.222 0.000 -29.846) 33.970 21.069 ( 1.970 0.000 -20.899) 20.991 25.847 ( 4.487 0.000 7.261) 8.535 26.075 ( -1.604 -0.000 13.831) 13.924 26.302 ( -2.898 -0.000 -6.607) 7.215 27.906 ( 15.215 0.000 -10.278) 18.361 28.245 ( -2.182 -0.000 6.542) 6.897 28.902 ( 1.435 0.000 0.683) 1.590 29.503 ( 4.855 0.000 -3.319) 5.881 29.833 ( -13.584 -0.000 -6.033) 14.864 29.943 ( -25.403 -0.000 -5.516) 25.996 30.363 ( -1.681 -0.000 8.038) 8.212 30.464 ( -3.010 -0.000 10.523) 10.945 31.432 ( 8.399 0.000 0.926) 8.450 ======================= Grid point 259 (130/186) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 6.511 0.000 19.075) 20.155 2.692 ( -0.813 -0.000 14.373) 14.396 3.103 ( 3.944 0.000 -2.386) 4.610 3.331 ( -9.081 -0.000 3.181) 9.622 4.028 ( 3.885 0.000 -10.204) 10.919 4.084 ( -1.729 -0.000 -7.981) 8.166 4.292 ( -14.299 -0.000 6.136) 15.560 4.742 ( 17.146 0.000 3.249) 17.451 5.440 ( 1.142 0.000 15.026) 15.070 5.487 ( 2.223 0.000 5.547) 5.976 5.654 ( -5.741 -0.000 -0.370) 5.753 5.755 ( -6.178 -0.000 -2.823) 6.792 6.135 ( 4.603 0.000 2.054) 5.041 6.214 ( 3.482 0.000 -4.829) 5.954 6.475 ( 1.703 0.000 9.358) 9.511 6.962 ( -14.250 -0.000 15.277) 20.891 7.028 ( 5.471 0.000 -16.643) 17.519 7.492 ( -21.035 -0.000 20.056) 29.064 7.590 ( 4.584 0.000 -17.066) 17.671 7.951 ( 2.619 0.000 24.481) 24.621 7.974 ( 4.786 0.000 -8.974) 10.170 8.304 ( -11.048 -0.000 31.739) 33.607 8.494 ( 9.839 0.000 -6.239) 11.650 8.865 ( -3.879 -0.000 7.653) 8.580 8.869 ( 10.557 0.000 -4.581) 11.508 9.454 ( -11.630 -0.000 7.746) 13.974 9.657 ( 7.117 0.000 -6.115) 9.383 9.994 ( -3.584 -0.000 -18.606) 18.948 10.125 ( -0.011 -0.000 -14.389) 14.389 10.143 ( 2.325 0.000 -8.184) 8.508 11.285 ( 1.550 0.000 8.304) 8.448 11.353 ( 7.344 0.000 11.136) 13.340 11.737 ( -9.973 -0.000 8.307) 12.979 12.209 ( 0.639 0.000 -7.453) 7.480 12.642 ( 3.042 0.000 18.379) 18.629 13.544 ( 0.403 0.000 -30.838) 30.840 13.667 ( 5.707 0.000 4.564) 7.307 14.155 ( 6.131 0.000 -14.852) 16.067 14.455 ( -3.854 -0.000 0.656) 3.909 14.782 ( -4.830 -0.000 -14.391) 15.179 15.775 ( -1.242 -0.000 11.543) 11.609 16.244 ( -4.434 -0.000 -10.363) 11.272 16.766 ( 0.908 0.000 17.814) 17.837 17.239 ( -4.965 -0.000 -4.685) 6.826 19.127 ( -20.097 -0.000 27.491) 34.053 19.548 ( -4.989 -0.000 14.280) 15.127 20.182 ( 22.379 0.000 -26.428) 34.630 20.467 ( 3.801 0.000 -27.328) 27.591 26.039 ( -3.935 -0.000 6.998) 8.028 26.321 ( 10.113 0.000 -7.213) 12.421 26.642 ( 7.736 0.000 19.246) 20.743 27.403 ( -12.311 -0.000 -18.543) 22.258 28.641 ( 9.683 0.000 6.740) 11.797 28.832 ( -6.171 -0.000 -3.037) 6.878 29.216 ( 0.486 0.000 0.549) 0.733 29.340 ( -8.777 -0.000 -5.504) 10.360 30.215 ( 14.787 0.000 5.739) 15.861 30.355 ( -5.468 -0.000 -0.654) 5.506 30.821 ( 1.163 0.000 14.605) 14.651 31.320 ( -3.588 -0.000 -10.092) 10.711 ======================= Grid point 260 (131/186) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 11.823 2.571 14.814) 19.127 2.681 ( -4.005 3.494 -2.848) 6.030 3.234 ( 2.395 -4.361 6.766) 8.399 3.454 ( 13.132 -16.357 6.769) 22.041 3.957 ( 1.692 7.737 -6.633) 10.330 4.066 ( -1.069 4.739 4.078) 6.343 4.226 ( 2.071 -4.774 -2.428) 5.743 4.880 ( 16.271 9.974 -9.290) 21.226 5.459 ( 3.538 7.705 7.455) 11.290 5.587 ( -2.627 -3.389 3.836) 5.754 5.637 ( 3.253 -3.382 8.725) 9.907 5.760 ( -3.355 -9.430 -2.201) 10.249 6.214 ( 0.314 1.620 -4.768) 5.045 6.309 ( 8.988 -12.867 1.662) 15.783 6.542 ( 2.169 -1.064 13.394) 13.611 6.824 ( -14.246 0.518 9.877) 17.342 7.051 ( 3.335 -4.650 -13.471) 14.636 7.281 ( -19.848 -0.433 16.883) 26.061 7.623 ( 0.224 -4.612 -9.595) 10.648 7.984 ( 3.095 -1.440 -2.352) 4.145 8.169 ( 9.574 -5.821 8.093) 13.821 8.280 ( -14.900 -0.595 41.593) 44.185 8.629 ( 13.248 -0.200 -5.302) 14.271 8.861 ( -1.205 -0.983 1.828) 2.400 8.975 ( 9.261 1.339 -2.470) 9.678 9.319 ( -12.476 0.653 9.013) 15.405 9.675 ( -0.844 -1.469 -18.013) 18.092 9.934 ( 4.171 0.733 -10.675) 11.484 10.044 ( -0.495 1.033 -5.817) 5.929 10.247 ( 5.783 -9.080 -10.782) 15.236 11.260 ( -2.709 7.277 6.421) 10.076 11.389 ( 0.683 5.612 1.904) 5.965 11.717 ( -3.454 -2.568 13.555) 14.222 12.233 ( 5.737 -1.633 -3.911) 7.133 12.734 ( 1.933 1.522 17.584) 17.755 13.380 ( -1.450 4.094 -29.790) 30.105 13.747 ( 2.743 0.121 5.125) 5.814 14.126 ( -1.482 -1.217 -19.139) 19.235 14.453 ( 0.705 0.875 4.963) 5.089 14.721 ( -1.240 -5.937 -11.195) 12.732 15.797 ( -2.123 1.018 11.931) 12.161 16.135 ( -6.162 0.065 -7.657) 9.829 16.792 ( -2.791 4.311 15.086) 15.936 17.028 ( -13.721 9.563 0.234) 16.726 18.998 ( -14.436 0.293 24.097) 28.092 19.570 ( -1.898 0.143 15.870) 15.983 20.360 ( 19.834 1.461 -25.614) 32.428 20.415 ( 6.123 -1.421 -27.175) 27.892 26.006 ( -4.150 0.981 5.985) 7.349 26.400 ( 7.872 0.941 -10.136) 12.869 26.779 ( 3.677 3.280 19.444) 20.058 27.164 ( -9.171 2.103 -16.984) 19.417 28.706 ( -5.497 1.915 -3.069) 6.580 28.737 ( 3.483 2.816 4.080) 6.059 29.271 ( 1.817 -4.867 3.948) 6.525 29.334 ( -2.185 -8.149 -1.141) 8.514 30.284 ( -1.756 1.195 -1.964) 2.893 30.432 ( 12.396 0.384 2.425) 12.637 30.904 ( 1.025 -3.005 15.313) 15.638 31.261 ( -2.398 -3.973 -13.253) 14.042 ======================= Grid point 261 (132/186) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -1.829 11.768 -10.670) 15.991 2.705 ( 9.667 -2.454 9.792) 13.977 3.388 ( 1.676 -7.906 11.360) 13.942 3.805 ( -0.771 0.031 1.013) 1.274 3.957 ( 14.601 -5.036 1.920) 15.564 3.998 ( 1.510 5.249 12.543) 13.680 4.363 ( 7.275 -6.222 -6.418) 11.525 4.903 ( 18.554 10.613 -8.551) 23.022 5.425 ( 3.839 7.645 3.417) 9.212 5.536 ( -0.558 2.882 -6.960) 7.554 5.755 ( 4.611 -0.208 5.246) 6.988 5.912 ( 1.985 -11.821 2.689) 12.285 6.170 ( -3.371 -1.083 1.016) 3.684 6.535 ( 3.161 -2.690 2.791) 5.001 6.638 ( -9.604 0.244 7.973) 12.484 6.782 ( 1.774 -13.292 2.427) 13.628 7.048 ( -12.014 0.063 17.426) 21.166 7.330 ( 2.969 -22.274 -1.975) 22.558 7.613 ( -3.831 -2.053 -7.291) 8.488 8.071 ( 3.243 -5.804 -4.027) 7.773 8.194 ( -13.269 -0.933 20.948) 24.814 8.465 ( 6.787 -5.750 26.852) 28.288 8.742 ( 8.710 2.533 -4.357) 10.063 8.883 ( 0.704 1.087 5.138) 5.299 9.022 ( 6.126 5.150 -3.069) 8.571 9.239 ( -7.063 -5.115 5.915) 10.537 9.568 ( -2.085 -0.599 -24.473) 24.569 9.977 ( 9.052 1.179 -7.342) 11.715 10.040 ( -2.199 -4.756 -0.740) 5.292 10.420 ( 6.897 -8.871 -9.887) 14.968 11.077 ( -6.654 11.439 1.002) 13.271 11.275 ( -1.852 8.601 -2.469) 9.138 11.773 ( -1.388 -0.499 14.810) 14.884 12.366 ( 8.795 -4.438 0.252) 9.855 12.791 ( 1.775 3.036 14.959) 15.367 13.179 ( -3.473 4.322 -24.537) 25.156 13.757 ( -0.803 3.577 6.300) 7.289 14.042 ( -4.089 -2.461 -14.035) 14.824 14.445 ( -1.808 -1.709 -3.174) 4.032 14.834 ( 6.245 -7.929 -5.023) 11.274 15.775 ( -3.947 2.963 11.487) 12.503 16.053 ( -4.380 -0.955 -2.639) 5.202 16.625 ( -14.818 10.070 5.324) 18.690 16.785 ( -4.557 7.763 8.970) 12.708 18.949 ( -8.676 -0.872 21.719) 23.404 19.608 ( -1.416 0.702 16.361) 16.437 20.342 ( 7.990 2.978 -29.247) 30.465 20.524 ( 15.500 -0.867 -24.386) 28.908 25.957 ( -3.195 2.456 5.259) 6.626 26.400 ( 1.593 1.468 -11.078) 11.288 26.753 ( -5.952 6.244 10.242) 13.391 27.058 ( 3.127 -0.085 -8.885) 9.419 28.611 ( -3.911 -0.378 -4.795) 6.199 28.749 ( 2.575 3.787 4.514) 6.430 29.397 ( -1.704 -8.185 0.406) 8.370 29.456 ( 3.818 -7.331 10.210) 13.136 30.252 ( -0.260 -0.109 -3.089) 3.102 30.515 ( 2.498 2.581 6.624) 7.535 31.004 ( -5.355 -4.073 8.023) 10.471 31.304 ( 10.203 -4.991 -14.750) 18.616 ======================= Grid point 262 (133/186) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -1.782 13.101 -11.310) 17.399 2.901 ( 6.118 -6.177 6.284) 10.727 3.543 ( 0.369 -5.608 10.263) 11.701 3.737 ( -2.699 5.270 8.132) 10.060 3.965 ( 2.981 4.896 7.845) 9.716 4.191 ( 4.602 -2.098 3.275) 6.025 4.501 ( 6.665 -2.976 -4.799) 8.735 4.977 ( 13.103 7.511 -2.926) 15.384 5.309 ( -2.846 6.627 -5.297) 8.948 5.568 ( 9.182 -1.186 0.978) 9.309 5.818 ( 4.263 0.925 -1.646) 4.662 6.090 ( 1.676 -6.291 3.902) 7.590 6.203 ( 2.471 -3.032 6.271) 7.390 6.498 ( -12.252 -3.758 0.142) 12.816 6.587 ( 4.083 3.720 -2.365) 6.009 6.926 ( -5.915 -3.572 10.298) 12.402 7.016 ( -7.453 -9.618 7.030) 14.053 7.535 ( -3.684 1.810 -6.537) 7.719 7.763 ( 5.132 -22.018 12.575) 25.870 8.067 ( -15.319 -0.977 19.337) 24.689 8.223 ( 1.658 -7.651 -1.092) 7.905 8.661 ( -3.237 3.389 13.639) 14.421 8.775 ( -4.920 1.566 9.197) 10.548 8.828 ( 15.010 3.068 -6.897) 16.801 9.042 ( 6.150 2.261 -1.118) 6.647 9.305 ( -3.319 -7.997 1.413) 8.774 9.469 ( -0.531 1.327 -16.167) 16.230 10.038 ( 5.741 -2.001 -9.111) 10.953 10.153 ( 5.160 -8.685 0.847) 10.138 10.562 ( 5.237 -5.372 -8.821) 11.580 10.828 ( -6.226 10.139 -4.944) 12.885 11.097 ( -2.079 11.643 -2.866) 12.169 11.804 ( -1.612 1.244 14.737) 14.877 12.541 ( 6.455 -4.595 1.032) 7.990 12.789 ( -0.564 4.458 -0.624) 4.537 13.018 ( -1.779 2.940 -4.471) 5.639 13.693 ( -0.438 7.119 6.033) 9.342 13.989 ( -7.517 -6.323 -5.191) 11.110 14.485 ( 3.324 -7.668 -11.459) 14.183 14.984 ( 5.552 -3.943 -4.526) 8.176 15.740 ( -1.863 2.084 11.654) 11.985 16.000 ( -4.757 1.949 4.153) 6.609 16.365 ( -10.118 2.789 0.415) 10.504 16.675 ( -1.904 7.105 6.341) 9.711 18.964 ( -6.388 -2.308 22.249) 23.263 19.641 ( -2.096 0.618 16.539) 16.683 20.279 ( 9.459 5.229 -30.329) 32.198 20.600 ( 10.749 -0.455 -25.287) 27.481 25.908 ( -1.056 3.200 4.846) 5.902 26.330 ( -2.823 0.936 -9.475) 9.931 26.613 ( -7.614 4.518 5.642) 10.499 27.112 ( 7.769 -0.893 -6.920) 10.443 28.567 ( -2.440 -0.141 -2.418) 3.438 28.748 ( 1.673 1.856 2.686) 3.668 29.468 ( -0.176 -3.255 4.381) 5.460 29.657 ( 1.703 -8.566 10.359) 13.549 30.262 ( 1.562 -1.368 -0.726) 2.200 30.519 ( -2.741 -0.146 7.995) 8.453 30.932 ( -10.212 -0.031 -2.732) 10.571 31.482 ( 14.266 -2.174 -10.511) 17.853 ======================= Grid point 263 (134/186) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -2.540 9.234 -5.734) 11.162 3.060 ( 0.901 -6.957 2.495) 7.445 3.600 ( -4.248 1.271 9.441) 10.431 3.696 ( -3.205 -0.534 14.457) 14.818 3.975 ( 2.558 2.742 4.679) 5.997 4.206 ( -2.227 4.528 7.104) 8.714 4.553 ( 3.499 1.781 -8.474) 9.340 4.971 ( 1.720 1.442 -5.154) 5.622 5.222 ( 2.487 4.466 1.344) 5.285 5.722 ( 5.402 0.036 2.961) 6.160 5.830 ( 2.783 -0.953 1.648) 3.371 6.103 ( -4.366 -1.460 -8.239) 9.438 6.323 ( 5.177 3.167 7.908) 9.968 6.444 ( -9.849 -7.378 -0.226) 12.309 6.563 ( 6.694 4.554 -3.274) 8.734 6.935 ( -8.045 -3.761 21.960) 23.688 7.037 ( -9.410 -3.479 -7.200) 12.349 7.449 ( 2.879 3.439 -5.953) 7.453 7.952 ( -13.556 0.486 26.573) 29.835 8.031 ( -6.431 -1.631 18.047) 19.228 8.327 ( -2.450 -3.533 13.536) 14.202 8.531 ( -1.113 1.039 0.018) 1.523 8.722 ( -1.589 4.591 -0.574) 4.892 8.942 ( 4.645 8.243 -16.208) 18.768 9.061 ( 0.804 -1.691 -1.019) 2.132 9.332 ( -0.441 -3.563 -13.528) 13.996 9.485 ( 2.629 -8.521 10.955) 14.126 10.123 ( 6.227 -3.412 -8.600) 11.153 10.360 ( 5.835 -8.980 -2.357) 10.965 10.610 ( -3.154 -0.778 -10.870) 11.345 10.646 ( 3.118 4.988 -7.363) 9.425 10.909 ( -0.515 10.486 0.953) 10.541 11.840 ( 0.171 -0.276 15.649) 15.653 12.573 ( -5.733 4.063 -2.508) 7.461 12.681 ( -1.505 2.562 -5.206) 5.994 13.043 ( 5.231 -0.695 6.638) 8.480 13.627 ( 1.912 5.684 4.318) 7.390 14.005 ( -3.426 -8.747 -4.377) 10.364 14.620 ( 3.502 -10.881 -15.051) 18.899 15.035 ( 3.025 0.711 -5.646) 6.444 15.768 ( 1.121 1.390 11.218) 11.359 15.945 ( -2.168 -0.703 8.657) 8.952 16.301 ( -2.219 -3.475 -3.334) 5.303 16.606 ( -0.597 2.783 4.657) 5.458 19.021 ( -5.595 -3.522 23.931) 24.827 19.668 ( -3.763 -0.410 16.259) 16.694 20.196 ( 11.072 8.033 -30.674) 33.586 20.618 ( 6.534 -1.395 -26.383) 27.216 25.893 ( 2.322 2.490 4.805) 5.889 26.243 ( -4.363 0.202 -6.327) 7.688 26.494 ( -7.119 2.603 6.196) 9.790 27.212 ( 9.313 -2.484 -9.198) 13.323 28.517 ( -3.375 1.759 0.997) 3.934 28.767 ( 1.330 -0.769 0.579) 1.642 29.527 ( 2.580 -0.400 4.780) 5.447 29.779 ( -3.182 -4.862 7.069) 9.151 30.329 ( 2.724 -2.855 6.737) 7.808 30.514 ( -6.148 -2.675 4.336) 7.985 30.751 ( -9.752 4.580 -5.312) 12.013 31.599 ( 11.047 2.928 -9.875) 15.104 ======================= Grid point 264 (135/186) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -3.358 1.180 4.251) 5.545 3.104 ( -4.881 -1.799 -1.304) 5.363 3.549 ( -8.084 1.499 23.250) 24.661 3.732 ( -3.753 -1.686 8.204) 9.178 3.977 ( -0.943 1.540 -4.800) 5.129 4.088 ( -5.382 5.525 9.146) 11.964 4.463 ( -3.482 5.203 -7.927) 10.101 5.012 ( 2.651 -5.190 -3.757) 6.934 5.208 ( 1.215 4.541 2.965) 5.557 5.689 ( -2.673 1.068 0.779) 2.982 5.917 ( -3.060 -1.579 4.252) 5.471 6.080 ( 1.438 -4.631 -7.890) 9.261 6.203 ( -0.268 15.048 1.058) 15.087 6.409 ( -9.281 -3.143 -1.746) 9.953 6.608 ( 1.529 8.715 10.049) 13.389 6.830 ( -6.330 1.388 -12.080) 13.709 7.002 ( -5.879 -5.006 22.144) 23.452 7.503 ( 11.674 0.692 -4.869) 12.668 7.869 ( -9.841 3.321 9.412) 14.017 7.924 ( -14.699 2.292 35.989) 38.942 8.369 ( -2.566 6.874 18.869) 20.245 8.538 ( -2.692 15.634 -3.410) 16.226 8.597 ( -0.470 -6.807 -6.705) 9.566 8.713 ( -3.326 7.129 -9.974) 12.703 9.076 ( -2.118 -0.653 -1.108) 2.478 9.341 ( 2.864 -3.205 -11.536) 12.310 9.701 ( 0.689 -7.486 5.982) 9.607 10.179 ( 1.873 -1.988 -11.060) 11.393 10.445 ( 1.684 3.648 -19.312) 19.726 10.552 ( 6.127 -0.717 -1.075) 6.261 10.613 ( 0.455 0.744 -3.661) 3.764 10.880 ( 1.753 -2.975 7.305) 8.080 11.958 ( 3.162 -4.064 16.377) 17.167 12.370 ( -10.331 6.835 0.202) 12.389 12.587 ( -3.688 5.501 0.872) 6.680 13.181 ( 6.942 -5.436 -0.496) 8.831 13.630 ( 4.122 0.978 -1.006) 4.354 14.077 ( 4.346 -3.418 -9.502) 10.994 14.694 ( -3.627 -6.627 -11.639) 13.876 15.033 ( 3.402 0.379 -9.889) 10.465 15.773 ( -1.389 2.502 8.287) 8.767 16.102 ( 7.571 -8.793 13.144) 17.533 16.326 ( 1.012 -2.989 -7.110) 7.778 16.654 ( 1.505 -6.985 6.370) 9.572 19.101 ( -5.552 -4.005 25.006) 25.926 19.683 ( -6.091 -1.761 14.755) 16.060 20.104 ( 12.195 8.976 -29.620) 33.267 20.603 ( 4.042 -2.144 -26.982) 27.367 25.940 ( 5.830 1.278 5.266) 7.959 26.171 ( -4.199 -0.714 -3.346) 5.417 26.412 ( -5.564 1.695 8.592) 10.376 27.346 ( 9.571 -5.437 -11.529) 15.940 28.447 ( -3.660 2.694 3.589) 5.791 28.802 ( 0.840 -2.261 -0.480) 2.459 29.561 ( 1.174 2.105 0.563) 2.475 29.789 ( -3.121 -0.807 5.318) 6.219 30.377 ( -15.874 3.059 -6.305) 17.352 30.456 ( 3.587 -3.086 11.871) 12.779 30.599 ( -4.134 2.552 4.046) 6.323 31.606 ( 7.557 6.947 -10.307) 14.546 ======================= Grid point 265 (136/186) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -1.839 -6.827 14.224) 15.884 2.986 ( -9.647 4.964 2.967) 11.248 3.530 ( -9.021 0.264 21.766) 23.563 3.566 ( -14.177 14.614 7.715) 21.773 3.937 ( -0.212 -9.303 -10.530) 14.052 4.093 ( 0.346 -2.126 3.459) 4.075 4.315 ( -4.281 4.097 -2.070) 6.277 5.000 ( -8.602 5.589 -7.325) 12.605 5.203 ( 1.534 -5.128 4.821) 7.204 5.664 ( -5.146 1.034 3.143) 6.118 5.863 ( -6.233 9.173 -5.427) 12.347 5.916 ( 2.627 5.152 9.296) 10.948 6.190 ( -7.285 4.742 -3.491) 9.367 6.287 ( -0.479 -3.894 1.951) 4.381 6.426 ( -5.236 9.289 5.218) 11.871 6.883 ( 8.918 -2.605 -5.785) 10.945 7.071 ( -6.498 -2.782 20.672) 21.847 7.640 ( 13.641 1.360 -5.978) 14.955 7.739 ( -12.083 0.088 12.557) 17.427 7.896 ( -9.484 1.648 31.660) 33.091 8.092 ( -2.149 15.979 -19.719) 25.472 8.387 ( -7.891 5.979 19.565) 21.927 8.562 ( -4.456 3.534 4.390) 7.184 8.685 ( 6.778 0.039 -7.866) 10.383 9.014 ( -5.476 2.508 2.200) 6.412 9.402 ( 3.865 -4.357 -6.676) 8.860 9.716 ( -3.680 1.877 1.670) 4.456 10.153 ( -1.482 -1.196 -10.649) 10.818 10.309 ( -0.777 2.227 -24.377) 24.491 10.447 ( -0.604 10.251 -8.867) 13.567 10.841 ( 11.271 -9.641 10.987) 18.458 11.021 ( 2.160 -7.621 7.893) 11.182 12.056 ( -8.122 3.715 15.200) 17.630 12.213 ( -1.558 -2.599 -0.497) 3.070 12.487 ( -1.497 4.212 5.728) 7.266 13.349 ( 7.031 -7.055 -4.405) 10.891 13.669 ( 4.059 -0.861 -8.652) 9.596 14.116 ( 8.541 3.068 -12.703) 15.611 14.637 ( -7.590 -1.721 -5.818) 9.717 15.012 ( 1.131 0.571 -15.629) 15.680 15.751 ( -2.002 1.812 8.599) 9.013 16.334 ( 0.041 -2.749 -6.217) 6.798 16.399 ( 10.000 -6.801 11.139) 16.442 16.889 ( 4.694 -16.327 4.846) 17.666 19.180 ( -7.127 -4.099 25.658) 26.943 19.673 ( -9.657 -2.604 13.559) 16.849 20.034 ( 14.211 8.024 -28.942) 33.226 20.569 ( 3.153 -1.963 -27.116) 27.369 26.023 ( 4.415 1.345 6.656) 8.100 26.150 ( 0.768 -2.257 -2.840) 3.708 26.387 ( -1.573 0.730 12.696) 12.813 27.498 ( 5.918 -8.549 -14.653) 17.967 28.401 ( -0.119 2.023 5.814) 6.157 28.843 ( 0.049 -2.997 -1.008) 3.163 29.470 ( -6.187 4.967 -3.091) 8.515 29.781 ( 1.117 4.946 -1.789) 5.377 30.081 ( -12.159 5.718 -0.090) 13.436 30.531 ( -7.975 -0.301 5.689) 9.801 30.601 ( 4.322 -2.055 13.785) 14.592 31.532 ( 4.335 7.999 -10.762) 14.092 ======================= Grid point 266 (137/186) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 2.246 -9.616 19.354) 21.727 2.776 ( -8.496 11.477 14.974) 20.691 3.225 ( -10.004 8.459 -4.313) 13.793 3.459 ( -9.845 2.672 11.947) 15.710 4.020 ( -1.099 -5.376 -10.204) 11.585 4.124 ( -1.750 -2.365 -3.482) 4.559 4.310 ( -1.391 -8.571 6.138) 10.634 4.716 ( -7.001 11.173 -2.847) 13.489 5.338 ( 1.971 -5.733 7.174) 9.393 5.520 ( -1.452 10.724 9.593) 14.461 5.723 ( -7.246 -1.694 -1.287) 7.551 5.927 ( -6.789 6.746 -2.297) 9.843 6.047 ( 4.302 -2.524 1.169) 5.123 6.266 ( -2.084 8.129 1.156) 8.471 6.398 ( 3.139 -2.441 6.857) 7.926 6.993 ( 8.066 -0.873 -9.635) 12.596 7.058 ( -10.685 -0.417 17.594) 20.589 7.620 ( -11.342 0.959 4.438) 12.217 7.672 ( 1.174 4.064 -7.015) 8.192 7.883 ( -4.615 1.218 21.639) 22.159 7.949 ( 7.869 4.088 -6.422) 10.949 8.314 ( -7.513 1.777 23.781) 25.003 8.476 ( -1.112 4.090 1.851) 4.625 8.760 ( 9.461 0.012 -5.994) 11.200 8.916 ( -6.206 2.439 7.109) 9.747 9.486 ( -0.724 -5.300 -0.432) 5.367 9.642 ( 0.794 4.707 -0.577) 4.808 10.116 ( -1.596 -1.944 -7.528) 7.937 10.157 ( -4.251 1.495 -24.711) 25.118 10.266 ( 0.071 7.990 -11.267) 13.813 11.144 ( 10.630 -5.788 13.359) 18.026 11.180 ( 2.623 -5.850 7.814) 10.107 11.880 ( -12.592 4.234 9.389) 16.267 12.242 ( -1.297 -1.917 -7.802) 8.138 12.522 ( 3.559 0.175 17.490) 17.849 13.508 ( 6.042 -6.991 -7.812) 12.100 13.665 ( 3.290 1.747 -14.512) 14.982 14.129 ( 9.328 3.645 -12.127) 15.728 14.534 ( -7.737 -0.817 -3.435) 8.505 14.915 ( -2.711 2.252 -16.430) 16.803 15.750 ( -1.482 0.507 10.273) 10.392 16.315 ( -1.341 -1.182 -10.988) 11.132 16.631 ( 5.335 -3.702 17.097) 18.289 17.169 ( 3.451 -12.426 -1.943) 13.042 19.216 ( -13.147 -3.257 27.358) 30.527 19.605 ( -12.217 -0.643 13.469) 18.196 20.045 ( 19.736 4.142 -28.719) 35.092 20.523 ( 3.247 -1.018 -27.113) 27.325 26.049 ( -1.791 0.309 7.573) 7.788 26.222 ( 7.657 -1.084 -4.835) 9.121 26.471 ( 5.377 -0.764 17.083) 17.926 27.555 ( -5.070 -6.292 -18.047) 19.774 28.470 ( 8.425 -1.019 7.193) 11.125 28.870 ( -1.977 -2.835 -1.699) 3.851 29.294 ( -5.625 5.567 -2.793) 8.392 29.568 ( -10.188 8.900 -8.567) 16.013 30.048 ( 6.298 0.553 9.218) 11.177 30.442 ( -7.557 0.717 2.558) 8.011 30.730 ( 2.738 -1.585 14.316) 14.662 31.423 ( 0.137 5.422 -10.305) 11.645 ======================= Grid point 268 (138/186) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 8.544 0.000 12.556) 15.188 2.712 ( 3.506 0.000 -1.226) 3.714 3.289 ( 7.224 0.000 2.578) 7.670 3.590 ( 22.417 0.000 4.767) 22.918 4.046 ( 3.954 0.000 -5.918) 7.117 4.176 ( 11.971 0.000 -1.553) 12.071 4.211 ( 1.618 0.000 6.297) 6.501 5.161 ( 18.760 0.000 -13.101) 22.882 5.582 ( -0.259 -0.000 6.991) 6.995 5.587 ( -2.360 -0.000 -0.994) 2.561 5.653 ( 3.210 0.000 9.038) 9.591 5.703 ( 9.101 0.000 9.595) 13.225 6.208 ( -2.677 -0.000 -4.040) 4.847 6.298 ( 9.224 0.000 -5.863) 10.930 6.617 ( 2.342 0.000 13.005) 13.215 6.696 ( -14.170 -0.000 15.445) 20.961 6.964 ( 3.015 0.000 -23.901) 24.091 7.101 ( -19.920 -0.000 22.583) 30.113 7.566 ( -0.911 -0.000 -4.815) 4.900 8.000 ( 7.476 0.000 -12.370) 14.453 8.171 ( -9.852 -0.000 13.011) 16.320 8.369 ( 0.622 0.000 44.150) 44.154 8.780 ( 12.997 0.000 -4.813) 13.860 8.859 ( 3.321 0.000 -4.203) 5.357 9.100 ( 11.311 0.000 -7.521) 13.583 9.186 ( -15.829 -0.000 16.860) 23.126 9.546 ( -2.952 -0.000 -23.474) 23.659 10.007 ( 7.531 0.000 0.614) 7.556 10.051 ( 2.718 0.000 -12.125) 12.426 10.212 ( 6.717 0.000 -5.393) 8.614 11.265 ( -7.745 -0.000 2.129) 8.032 11.379 ( -4.867 -0.000 -3.206) 5.828 11.775 ( 2.408 0.000 17.142) 17.310 12.303 ( 8.598 0.000 -0.514) 8.613 12.835 ( 1.342 0.000 17.964) 18.014 13.244 ( -4.871 -0.000 -30.429) 30.816 13.785 ( 0.352 0.000 2.435) 2.460 14.021 ( -0.860 -0.000 -21.265) 21.282 14.547 ( 4.532 0.000 7.061) 8.390 14.598 ( -1.943 -0.000 -4.326) 4.742 15.831 ( -1.721 -0.000 11.868) 11.992 16.013 ( -8.020 -0.000 -5.035) 9.470 16.832 ( -5.481 -0.000 14.458) 15.462 16.853 ( -22.884 -0.000 3.569) 23.161 18.931 ( -8.696 -0.000 16.400) 18.563 19.635 ( 0.547 0.000 18.117) 18.125 20.350 ( 3.801 0.000 -28.475) 28.727 20.544 ( 20.429 0.000 -22.381) 30.303 25.995 ( -2.403 -0.000 5.562) 6.059 26.416 ( 0.313 0.000 -12.968) 12.972 26.893 ( -3.297 -0.000 20.163) 20.431 27.020 ( -2.974 -0.000 -16.879) 17.139 28.606 ( -5.777 -0.000 -5.494) 7.973 28.814 ( 0.835 0.000 4.442) 4.520 29.245 ( 3.557 0.000 -1.268) 3.776 29.363 ( 6.537 0.000 10.068) 12.004 30.263 ( 0.052 0.000 -5.159) 5.159 30.570 ( 2.703 0.000 2.954) 4.004 30.919 ( -3.202 -0.000 15.543) 15.869 31.216 ( 9.824 0.000 -15.112) 18.025 ======================= Grid point 269 (139/186) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 7.528 13.052 -4.505) 15.727 2.845 ( 7.449 -0.260 8.921) 11.625 3.437 ( 8.236 -1.028 10.666) 13.515 3.861 ( 9.568 0.930 0.504) 9.626 4.108 ( 11.234 -2.372 -1.380) 11.564 4.187 ( 8.452 9.905 5.078) 13.976 4.402 ( 13.054 -3.830 -4.420) 14.304 5.245 ( 15.079 8.593 -10.370) 20.217 5.488 ( -4.079 5.596 -6.650) 9.600 5.652 ( 3.718 3.588 8.262) 9.744 5.743 ( 2.709 -10.275 2.638) 10.949 5.895 ( 10.293 1.319 9.262) 13.909 6.132 ( -3.409 0.088 3.596) 4.956 6.482 ( 0.541 -4.458 -0.900) 4.579 6.590 ( -4.190 -5.193 1.760) 6.901 6.698 ( -0.420 -0.569 11.731) 11.752 6.934 ( -8.499 -2.369 1.885) 9.022 7.105 ( 5.194 -15.572 4.769) 17.094 7.540 ( -1.790 -0.768 -3.000) 3.577 8.054 ( -3.788 0.672 6.180) 7.280 8.106 ( -1.814 -2.541 5.094) 5.974 8.524 ( -2.826 -4.007 22.291) 22.824 8.860 ( 8.246 2.974 -1.087) 8.833 8.965 ( 5.362 0.240 6.105) 8.129 9.089 ( -10.015 -3.998 12.621) 16.601 9.190 ( 11.872 3.261 -10.395) 16.113 9.444 ( 0.250 -1.954 -21.670) 21.760 10.013 ( 2.900 3.180 -7.662) 8.788 10.105 ( 8.621 1.484 2.225) 9.026 10.356 ( 7.324 -8.048 -6.518) 12.685 11.091 ( -10.906 6.459 -2.874) 12.997 11.285 ( -5.052 2.411 -3.813) 6.773 11.859 ( 1.602 1.674 16.244) 16.409 12.435 ( 8.643 -2.222 1.966) 9.138 12.899 ( 0.255 2.943 11.316) 11.695 13.050 ( -6.532 -0.258 -21.037) 22.029 13.776 ( -2.115 -0.253 0.035) 2.130 13.947 ( 1.972 0.022 -19.993) 20.090 14.469 ( -0.339 7.819 5.211) 9.403 14.770 ( 4.962 -10.837 2.357) 12.150 15.815 ( -3.473 3.524 8.660) 9.974 15.945 ( -5.106 -4.367 0.910) 6.780 16.516 ( -23.901 5.668 6.674) 25.454 16.796 ( -7.635 0.952 10.500) 13.017 18.902 ( -6.369 -1.175 11.901) 13.549 19.710 ( 1.686 2.307 19.181) 19.392 20.289 ( 3.343 -1.556 -29.948) 30.174 20.678 ( 17.095 3.031 -21.921) 27.964 25.986 ( -0.538 1.919 5.477) 5.829 26.327 ( -5.386 -0.709 -13.108) 14.189 26.795 ( -8.754 7.644 8.886) 14.630 27.024 ( 1.975 -5.261 -8.270) 9.999 28.544 ( -1.964 -0.735 -4.220) 4.713 28.810 ( -1.264 1.722 3.234) 3.875 29.357 ( 7.947 -3.534 1.934) 8.909 29.511 ( 6.935 -2.132 12.683) 14.611 30.253 ( 2.244 0.320 -4.561) 5.093 30.524 ( -8.968 0.222 5.320) 10.430 30.923 ( -6.198 -0.057 11.043) 12.664 31.381 ( 19.684 -3.401 -16.640) 25.998 ======================= Grid point 270 (140/186) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 11.686 21.432 -6.979) 25.389 2.963 ( 5.303 -0.230 6.973) 8.763 3.560 ( 1.734 -0.965 11.200) 11.375 3.858 ( 2.209 8.371 7.251) 11.293 4.156 ( 7.130 10.456 6.268) 14.123 4.281 ( 9.281 -0.011 -5.369) 10.722 4.575 ( 12.412 0.392 -4.555) 13.227 5.177 ( -2.773 10.397 -12.254) 16.308 5.358 ( 3.470 4.361 -2.907) 6.285 5.706 ( 8.170 1.493 8.242) 11.701 5.907 ( 1.396 7.023 -2.021) 7.440 5.969 ( 1.761 -12.931 1.384) 13.123 6.257 ( 5.880 -5.782 19.723) 21.378 6.358 ( -9.640 3.265 -1.208) 10.249 6.667 ( 2.328 2.049 2.006) 3.694 6.774 ( 0.971 -9.754 -11.934) 15.444 6.881 ( -8.040 -2.789 12.572) 15.181 7.519 ( 0.465 0.401 -2.961) 3.024 7.579 ( 13.438 -23.340 10.797) 29.016 7.966 ( -14.165 0.349 24.291) 28.121 8.198 ( 7.135 -2.132 -4.892) 8.910 8.604 ( -3.067 -6.469 3.625) 8.024 8.843 ( -10.104 8.917 21.697) 25.541 8.984 ( 7.847 1.110 -1.280) 8.028 9.154 ( 1.822 -4.781 -5.907) 7.814 9.233 ( 9.170 4.554 -6.115) 11.926 9.435 ( 2.402 -0.264 -9.653) 9.951 10.020 ( 4.266 -2.180 -3.535) 5.954 10.209 ( 9.263 0.244 0.487) 9.279 10.499 ( 3.251 -5.500 -8.997) 11.035 10.846 ( -7.341 7.188 -6.216) 12.008 11.154 ( -4.651 5.077 -4.341) 8.139 11.898 ( 0.363 3.250 15.747) 16.083 12.569 ( 4.386 -2.367 0.928) 5.069 12.761 ( -5.976 3.663 -16.434) 17.867 13.035 ( 0.308 -1.607 9.240) 9.384 13.779 ( 0.257 -3.211 1.074) 3.395 13.884 ( 1.539 5.622 -8.280) 10.126 14.417 ( 0.626 0.198 -1.427) 1.571 14.963 ( 4.293 -6.572 -0.535) 7.868 15.779 ( -1.625 0.279 8.303) 8.465 15.955 ( -4.406 -1.528 4.960) 6.808 16.212 ( -18.236 -0.093 5.005) 18.911 16.707 ( -7.120 2.469 5.757) 9.483 18.895 ( -7.415 -3.573 12.722) 15.153 19.758 ( 1.533 4.721 19.318) 19.946 20.243 ( 3.644 -2.952 -31.637) 31.983 20.715 ( 13.384 6.319 -23.241) 27.554 25.973 ( 1.178 3.112 4.378) 5.499 26.230 ( -4.755 -1.566 -9.895) 11.089 26.605 ( -10.575 5.762 8.058) 14.490 27.098 ( 3.149 -5.690 -10.344) 12.218 28.527 ( -1.180 -0.627 -1.702) 2.164 28.777 ( -1.826 1.198 1.969) 2.940 29.510 ( 8.709 -0.702 4.108) 9.655 29.682 ( 5.900 -2.446 12.705) 14.220 30.282 ( 2.894 -0.508 1.191) 3.171 30.435 ( -9.893 -2.928 4.421) 11.224 30.850 ( -7.001 2.790 5.292) 9.209 31.599 ( 17.100 -2.026 -16.202) 23.644 ======================= Grid point 271 (141/186) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 14.822 25.329 -6.198) 29.995 3.035 ( 1.173 -0.645 4.813) 4.995 3.605 ( -1.505 -0.476 7.390) 7.556 3.768 ( -4.026 8.638 14.821) 17.621 4.104 ( 4.029 9.378 2.322) 10.467 4.328 ( 5.006 4.914 -2.428) 7.423 4.625 ( 4.603 7.216 -2.990) 9.066 4.963 ( -3.765 3.288 -7.489) 9.004 5.338 ( 3.098 4.634 -1.955) 5.907 5.794 ( -3.159 5.107 -2.590) 6.540 5.875 ( 9.331 -4.416 5.081) 11.506 6.028 ( -4.412 4.399 -6.378) 8.916 6.252 ( -5.338 -5.978 -0.966) 8.073 6.464 ( 3.515 1.530 16.487) 16.927 6.649 ( 2.838 -0.861 -4.062) 5.030 6.838 ( -2.747 -5.197 1.487) 6.064 6.912 ( -3.224 -2.041 10.000) 10.704 7.530 ( 6.277 1.081 -2.937) 7.013 7.904 ( -10.606 -0.310 27.350) 29.336 8.013 ( 3.983 -6.704 18.592) 20.161 8.286 ( 3.677 -3.544 -0.204) 5.111 8.602 ( -4.642 5.090 7.158) 9.935 8.701 ( -3.637 0.801 7.363) 8.251 9.051 ( 3.625 0.202 -1.563) 3.953 9.133 ( 1.350 14.282 -15.923) 21.432 9.221 ( -0.029 -4.295 -6.112) 7.470 9.478 ( 5.434 -4.151 4.500) 8.186 10.118 ( 4.679 -2.850 -5.445) 7.724 10.343 ( 7.614 -4.547 -2.111) 9.116 10.498 ( -3.818 -3.300 -9.832) 11.052 10.709 ( 1.398 4.609 -7.263) 8.715 11.008 ( -2.344 6.543 -4.373) 8.212 11.924 ( 0.825 1.945 15.565) 15.707 12.503 ( -8.342 2.530 -8.032) 11.854 12.693 ( 2.074 1.265 -3.307) 4.103 13.098 ( 1.088 -2.000 4.574) 5.109 13.763 ( -2.268 8.365 3.788) 9.458 13.911 ( 8.821 -6.064 3.836) 11.371 14.459 ( 1.211 -7.245 -13.248) 15.148 15.041 ( 1.530 -1.254 -4.252) 4.689 15.822 ( -0.280 -0.129 6.832) 6.839 15.912 ( -4.364 -2.664 9.934) 11.173 16.143 ( -7.685 -8.683 1.630) 11.709 16.614 ( -5.018 1.221 1.855) 5.488 18.919 ( -9.324 -6.889 16.939) 20.527 19.768 ( -0.017 6.176 18.529) 19.531 20.209 ( 4.820 -2.552 -32.490) 32.944 20.671 ( 10.533 7.487 -25.161) 28.286 25.980 ( 4.021 1.841 2.330) 4.998 26.166 ( -3.359 -0.321 -4.459) 5.592 26.454 ( -9.615 1.933 8.811) 13.184 27.177 ( 3.079 -6.632 -12.423) 14.415 28.503 ( -2.202 1.071 1.602) 2.926 28.757 ( -1.413 -0.805 0.130) 1.631 29.617 ( 7.386 2.333 1.826) 7.958 29.804 ( 4.205 0.861 11.745) 12.505 30.300 ( -9.961 -3.400 9.154) 13.949 30.436 ( 3.530 -2.072 1.888) 4.508 30.724 ( -6.298 4.861 2.615) 8.374 31.718 ( 11.283 1.583 -16.541) 20.085 ======================= Grid point 272 (142/186) ======================= q-point: (-0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 15.741 22.814 -0.664) 27.726 3.027 ( -4.379 0.778 -1.402) 4.664 3.590 ( -5.476 3.824 19.001) 20.141 3.693 ( -3.354 -0.682 6.573) 7.411 4.027 ( 1.434 7.179 -3.927) 8.307 4.233 ( -1.530 13.571 10.410) 17.172 4.470 ( -3.813 9.017 -8.240) 12.796 4.979 ( 4.161 -4.793 -1.974) 6.647 5.259 ( -4.002 6.195 -5.745) 9.349 5.696 ( -2.402 2.466 0.299) 3.455 5.816 ( -7.984 4.324 -13.139) 15.971 6.068 ( 6.019 -5.137 5.287) 9.517 6.257 ( -4.317 -1.783 -5.061) 6.887 6.401 ( -0.721 7.907 3.403) 8.638 6.772 ( 2.293 -1.003 -5.293) 5.855 6.811 ( 2.703 7.571 16.950) 18.759 6.960 ( -2.834 -3.859 18.235) 18.853 7.633 ( 10.348 -0.724 -0.742) 10.400 7.896 ( -4.653 6.812 16.213) 18.191 7.930 ( -11.997 6.600 26.653) 29.965 8.446 ( -0.158 -4.960 17.944) 18.618 8.541 ( -2.081 2.067 2.323) 3.741 8.695 ( 0.012 2.552 5.207) 5.799 8.761 ( -4.114 20.881 -19.217) 28.675 9.062 ( -0.308 1.095 -0.662) 1.316 9.283 ( 2.846 -4.632 -4.683) 7.176 9.631 ( 3.647 -5.714 -3.518) 7.637 10.124 ( -0.537 -0.656 -14.393) 14.418 10.437 ( 1.443 1.138 -12.873) 13.004 10.545 ( 4.524 -7.935 3.564) 9.805 10.659 ( 3.480 1.967 -7.489) 8.489 10.900 ( -0.998 2.828 0.088) 3.000 12.011 ( 3.016 -2.238 13.859) 14.359 12.329 ( -8.661 5.214 -0.515) 10.123 12.625 ( -3.191 5.680 0.622) 6.545 13.175 ( 3.645 -5.126 -3.594) 7.244 13.668 ( -1.786 3.096 3.904) 5.294 14.148 ( 14.776 -2.361 0.450) 14.970 14.500 ( -2.416 -7.250 -14.834) 16.687 15.028 ( 0.197 0.397 -8.854) 8.865 15.801 ( -2.409 1.038 4.246) 4.991 16.070 ( 1.616 -11.681 15.797) 19.713 16.199 ( -3.286 -9.446 -2.872) 10.405 16.589 ( -2.035 -4.019 1.389) 4.714 18.979 ( -11.088 -9.008 21.783) 26.050 19.734 ( -2.802 6.294 16.982) 18.327 20.178 ( 7.341 -0.422 -32.141) 32.971 20.593 ( 8.509 5.910 -26.768) 28.703 26.049 ( 7.398 0.169 1.199) 7.496 26.114 ( -3.276 0.115 -0.321) 3.293 26.386 ( -5.673 -0.741 10.692) 12.127 27.258 ( 1.275 -8.274 -14.029) 16.337 28.464 ( -1.564 2.178 4.442) 5.189 28.763 ( -1.183 -2.574 -1.458) 3.186 29.619 ( 1.358 6.185 -0.137) 6.334 29.891 ( 7.677 2.828 9.505) 12.542 30.195 ( -14.100 -0.123 1.660) 14.198 30.512 ( -0.243 2.019 8.825) 9.056 30.633 ( 1.340 1.696 5.516) 5.924 31.713 ( 5.572 4.655 -17.197) 18.667 ======================= Grid point 273 (143/186) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 15.151 13.384 7.636) 21.610 2.902 ( -8.815 1.657 -5.846) 10.706 3.536 ( -7.589 3.794 19.791) 21.533 3.728 ( -1.801 3.283 14.626) 15.097 3.843 ( -1.081 12.971 -6.138) 14.390 4.071 ( -5.602 4.106 5.584) 8.912 4.336 ( 1.708 2.565 -8.141) 8.705 4.961 ( -8.906 12.043 -14.552) 20.883 5.136 ( 0.232 -7.761 4.136) 8.798 5.637 ( -5.253 -1.694 -5.888) 8.070 5.711 ( 0.419 -0.670 -4.061) 4.137 6.081 ( -5.430 4.347 -5.705) 8.996 6.252 ( -0.282 -1.264 7.969) 8.074 6.334 ( 5.068 6.664 4.018) 9.286 6.613 ( 3.574 19.441 11.857) 23.050 6.929 ( 5.165 -2.638 2.178) 6.195 7.030 ( -6.354 -2.052 19.104) 20.238 7.677 ( -7.235 6.368 11.881) 15.299 7.800 ( 9.565 0.745 -6.290) 11.472 7.940 ( -7.362 1.031 34.423) 35.216 8.279 ( 0.238 22.940 -20.208) 30.572 8.431 ( -9.954 5.250 18.730) 21.851 8.555 ( -2.192 -0.610 6.320) 6.717 8.755 ( 4.846 -0.665 1.562) 5.134 9.010 ( -2.549 3.308 0.267) 4.185 9.364 ( 1.970 -3.586 -2.112) 4.604 9.684 ( 2.055 -1.395 -7.159) 7.578 10.044 ( -3.254 -2.171 -20.135) 20.511 10.320 ( 1.105 8.446 -12.228) 14.903 10.530 ( -0.760 7.768 -11.337) 13.764 10.861 ( 10.488 -12.245 7.151) 17.637 10.955 ( -0.027 -8.150 6.975) 10.727 12.068 ( -10.354 6.719 13.927) 18.609 12.176 ( 1.734 -0.561 -2.885) 3.412 12.547 ( -0.693 2.164 8.188) 8.497 13.293 ( 4.807 -7.750 -11.615) 14.767 13.657 ( -0.092 -0.967 1.318) 1.638 14.279 ( 11.650 5.830 -10.305) 16.611 14.491 ( -4.445 -3.542 -3.964) 6.930 14.968 ( -0.595 1.011 -15.409) 15.453 15.775 ( -2.870 0.956 7.393) 7.988 16.217 ( -4.396 -7.219 -2.742) 8.886 16.409 ( 6.732 -13.475 9.908) 18.030 16.699 ( -1.710 -14.081 3.808) 14.687 19.045 ( -13.140 -8.481 25.772) 30.146 19.660 ( -5.961 5.357 15.321) 17.291 20.164 ( 11.934 1.432 -30.896) 33.151 20.521 ( 7.120 3.127 -27.652) 28.725 26.060 ( -4.436 0.367 5.697) 7.229 26.178 ( 9.675 -1.783 -4.988) 11.030 26.426 ( 1.035 -2.460 14.838) 15.076 27.313 ( -3.197 -9.280 -15.751) 18.559 28.464 ( 2.523 0.729 6.283) 6.810 28.777 ( -2.065 -3.356 -2.540) 4.688 29.502 ( -2.332 9.355 2.197) 9.889 29.882 ( -6.202 9.333 -7.177) 13.307 30.076 ( 3.838 1.394 9.978) 10.781 30.452 ( -6.717 1.031 4.394) 8.093 30.728 ( 6.491 1.163 13.693) 15.199 31.607 ( 0.743 6.247 -17.199) 18.313 ======================= Grid point 274 (144/186) ======================= q-point: (-0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 13.843 2.276 13.878) 19.733 2.754 ( -8.742 -0.769 -5.818) 10.529 3.373 ( -6.969 15.130 12.189) 20.642 3.541 ( 3.449 16.151 13.627) 21.411 3.877 ( -1.055 -7.286 0.001) 7.362 4.022 ( -4.828 -5.397 -2.398) 7.628 4.306 ( 2.318 6.096 -4.321) 7.823 4.707 ( 0.319 -0.255 -13.148) 13.155 5.287 ( 2.461 -7.990 5.265) 9.881 5.607 ( -1.838 -2.704 -3.026) 4.455 5.687 ( -0.967 5.347 3.177) 6.294 5.927 ( -3.589 5.885 -5.579) 8.868 6.214 ( 0.234 5.767 10.099) 11.632 6.375 ( 6.263 6.857 -0.212) 9.289 6.496 ( 4.769 10.061 15.533) 19.111 6.951 ( -10.098 -0.442 5.805) 11.656 7.051 ( 2.284 -0.715 4.525) 5.119 7.507 ( -14.019 6.895 9.981) 18.539 7.753 ( 1.020 7.323 -14.421) 16.206 7.965 ( -2.883 4.282 26.865) 27.356 8.115 ( 12.029 5.402 -8.456) 15.664 8.332 ( -9.907 2.582 23.455) 25.592 8.542 ( 1.967 2.459 4.705) 5.661 8.843 ( 5.848 -1.571 -0.704) 6.096 8.928 ( -1.701 4.038 2.444) 5.017 9.389 ( -5.487 -2.555 2.844) 6.687 9.703 ( 5.114 0.774 -8.268) 9.752 9.966 ( -2.278 -4.095 -22.163) 22.653 10.149 ( -2.607 8.747 -6.429) 11.164 10.365 ( 3.262 9.691 -12.847) 16.419 11.118 ( -0.126 -10.229 7.948) 12.955 11.184 ( 7.846 -11.449 7.744) 15.893 11.844 ( -11.502 7.056 9.734) 16.638 12.214 ( 3.704 0.581 -5.286) 6.480 12.613 ( 2.180 -1.713 16.239) 16.474 13.390 ( 2.630 -7.877 -21.829) 23.356 13.691 ( 1.865 -0.880 3.179) 3.789 14.233 ( 2.869 4.393 -17.403) 18.177 14.458 ( -1.956 2.025 4.471) 5.283 14.861 ( -1.247 3.393 -17.126) 17.503 15.771 ( -2.609 -0.315 10.729) 11.046 16.211 ( -4.043 -2.988 -8.127) 9.556 16.660 ( 2.231 -7.409 13.364) 15.443 16.928 ( -4.648 -19.412 1.641) 20.028 19.063 ( -15.909 -4.677 27.916) 32.470 19.577 ( -5.665 3.071 14.177) 15.572 20.216 ( 17.569 0.641 -28.444) 33.438 20.466 ( 6.186 1.411 -27.724) 28.441 26.027 ( -4.987 -0.822 6.389) 8.147 26.300 ( 9.811 -1.457 -7.192) 12.252 26.587 ( 6.074 -3.655 17.670) 19.039 27.288 ( -8.604 -6.963 -17.051) 20.328 28.569 ( 6.917 -3.002 6.857) 10.192 28.772 ( -4.393 -3.130 -3.648) 6.512 29.351 ( -1.478 9.540 4.331) 10.581 29.581 ( -9.039 12.114 -6.661) 16.517 30.207 ( 9.987 0.342 7.329) 12.392 30.377 ( -3.683 0.441 -0.207) 3.715 30.839 ( 4.862 2.101 15.713) 16.581 31.436 ( -3.073 6.359 -15.522) 17.054 ======================= Grid point 277 (145/186) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 11.652 0.000 -2.705) 11.962 2.931 ( 3.677 0.000 10.061) 10.712 3.567 ( 2.993 0.000 12.012) 12.379 4.052 ( 14.074 0.000 -3.504) 14.503 4.177 ( 6.287 0.000 2.263) 6.682 4.476 ( 22.160 0.000 -9.681) 24.182 4.522 ( 12.037 0.000 3.225) 12.461 5.323 ( -5.443 -0.000 -17.280) 18.117 5.508 ( -1.673 -0.000 -1.477) 2.232 5.586 ( 5.899 0.000 -1.234) 6.027 5.857 ( 2.304 0.000 13.944) 14.133 6.067 ( 5.977 0.000 12.181) 13.568 6.134 ( -4.303 -0.000 11.909) 12.663 6.443 ( -9.510 -0.000 3.069) 9.993 6.536 ( 15.900 0.000 -12.027) 19.936 6.724 ( -5.820 -0.000 21.921) 22.680 6.804 ( -0.107 -0.000 -26.330) 26.330 7.190 ( 18.271 0.000 20.954) 27.801 7.516 ( 0.219 0.000 -1.571) 1.587 7.973 ( -14.588 -0.000 22.650) 26.942 8.179 ( 12.049 0.000 -8.021) 14.475 8.492 ( -4.981 -0.000 7.459) 8.969 8.958 ( 1.750 0.000 0.154) 1.756 8.985 ( -14.752 -0.000 29.941) 33.377 9.102 ( 12.390 0.000 3.847) 12.973 9.307 ( 11.512 0.000 -19.451) 22.602 9.368 ( 4.254 0.000 -17.767) 18.270 10.072 ( 6.043 0.000 -9.105) 10.928 10.259 ( 10.128 0.000 3.439) 10.696 10.362 ( 6.741 0.000 -2.726) 7.271 10.953 ( -13.764 -0.000 -6.117) 15.062 11.216 ( -5.929 -0.000 -3.235) 6.755 11.953 ( 0.689 0.000 16.320) 16.335 12.528 ( 6.552 0.000 1.878) 6.816 12.828 ( -9.520 -0.000 -24.220) 26.024 12.993 ( -0.745 -0.000 16.470) 16.487 13.730 ( -2.923 -0.000 -1.782) 3.423 13.921 ( 8.178 0.000 -24.856) 26.167 14.672 ( 5.609 0.000 9.886) 11.367 14.679 ( 0.152 0.000 8.392) 8.393 15.800 ( -7.414 -0.000 0.528) 7.433 15.884 ( -0.429 -0.000 9.076) 9.086 16.254 ( -25.885 -0.000 7.482) 26.944 16.726 ( -10.362 -0.000 9.977) 14.385 18.853 ( -5.750 -0.000 5.907) 8.243 19.836 ( 2.708 0.000 20.029) 20.211 20.181 ( 1.368 0.000 -31.728) 31.758 20.819 ( 14.491 0.000 -21.060) 25.564 26.032 ( 1.453 0.000 6.606) 6.764 26.189 ( -5.823 -0.000 -12.434) 13.730 26.742 ( -17.546 -0.000 14.142) 22.535 26.966 ( 6.003 0.000 -17.709) 18.699 28.514 ( 0.001 0.000 -2.875) 2.875 28.800 ( -3.462 -0.000 2.692) 4.386 29.497 ( 14.329 0.000 3.371) 14.720 29.644 ( 7.323 0.000 14.292) 16.059 30.280 ( 4.238 0.000 -2.810) 5.085 30.387 ( -13.850 -0.000 5.832) 15.028 30.897 ( -7.360 -0.000 13.027) 14.962 31.555 ( 21.818 0.000 -20.934) 30.237 ======================= Grid point 278 (146/186) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( 9.313 11.993 2.640) 15.413 3.058 ( 6.409 0.295 3.215) 7.176 3.601 ( -2.675 0.390 9.854) 10.218 4.074 ( 4.993 11.257 4.735) 13.194 4.313 ( 6.739 -3.867 -5.050) 9.267 4.512 ( 11.661 16.861 1.508) 20.556 4.782 ( 20.289 1.407 -7.487) 21.672 5.097 ( -13.744 1.881 -13.740) 19.525 5.441 ( 2.290 3.961 -2.559) 5.243 5.800 ( 5.043 -9.827 4.652) 11.985 5.879 ( 1.425 1.072 6.975) 7.199 5.980 ( -10.986 5.346 7.759) 14.473 6.246 ( -1.993 -3.978 1.293) 4.633 6.367 ( 0.764 0.114 17.085) 17.103 6.673 ( 2.346 -0.749 -21.649) 21.789 6.746 ( 8.117 -0.123 0.981) 8.177 6.790 ( 0.544 -4.751 5.814) 7.528 7.524 ( 3.575 -0.520 -1.467) 3.899 7.666 ( 25.954 -9.861 19.103) 33.701 7.898 ( -12.476 -0.331 27.456) 30.159 8.287 ( 9.538 1.292 -5.473) 11.072 8.497 ( -1.130 -4.597 -0.824) 4.805 8.892 ( -13.440 4.540 30.099) 33.275 8.986 ( -1.142 -3.676 -0.469) 3.878 9.197 ( 6.942 4.619 -1.113) 8.412 9.349 ( 9.418 1.271 -20.316) 22.429 9.439 ( 6.892 -3.853 -6.454) 10.198 10.091 ( 7.268 3.397 -5.949) 9.988 10.351 ( 6.786 2.929 1.267) 7.499 10.437 ( 0.010 -1.258 -7.191) 7.300 10.780 ( -5.816 -0.479 -5.374) 7.933 11.111 ( -6.235 1.763 -3.565) 7.395 12.002 ( -0.540 2.269 16.333) 16.499 12.533 ( -7.736 0.250 -9.247) 12.059 12.699 ( 4.210 -0.448 -8.384) 9.393 13.031 ( -3.688 -1.756 10.078) 10.875 13.718 ( -0.899 -2.798 1.682) 3.386 13.964 ( 12.029 -0.816 -21.974) 25.065 14.540 ( -0.993 13.488 11.107) 17.501 14.916 ( 3.970 -8.387 5.349) 10.710 15.729 ( -7.871 -4.211 3.816) 9.708 15.923 ( -1.239 -0.658 5.793) 5.961 15.988 ( -17.227 -0.007 8.115) 19.043 16.623 ( -11.377 -0.635 6.687) 13.212 18.804 ( -6.978 -1.442 6.008) 9.320 19.921 ( 1.916 3.549 19.648) 20.058 20.090 ( 1.071 -3.650 -33.800) 34.013 20.868 ( 11.710 4.570 -21.777) 25.144 26.047 ( 1.551 2.872 0.312) 3.279 26.127 ( -1.320 -2.496 -3.627) 4.597 26.533 ( -16.817 2.976 10.542) 20.070 27.004 ( 4.088 -4.733 -16.516) 17.661 28.512 ( 0.461 -0.076 -1.143) 1.235 28.756 ( -4.136 0.345 2.018) 4.615 29.682 ( 13.340 1.871 2.249) 13.657 29.799 ( 6.764 -0.887 14.022) 15.593 30.244 ( -12.740 -0.873 7.606) 14.863 30.363 ( 6.256 -2.019 3.276) 7.345 30.827 ( -8.084 2.199 9.258) 12.486 31.727 ( 17.158 -0.279 -22.042) 27.934 ======================= Grid point 279 (147/186) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( 13.419 18.669 -0.932) 23.010 3.094 ( 1.527 3.816 3.626) 5.481 3.595 ( -3.628 -0.963 7.882) 8.730 3.935 ( -3.496 14.298 11.997) 18.989 4.358 ( 3.890 13.547 -2.734) 14.357 4.370 ( 2.746 4.195 -12.214) 13.203 4.849 ( 2.740 4.655 1.092) 5.511 4.935 ( 2.286 8.153 -0.955) 8.521 5.402 ( 2.286 4.362 -7.692) 9.133 5.749 ( -11.363 2.199 4.808) 12.532 5.958 ( 3.606 -2.473 6.262) 7.637 6.025 ( 1.820 -0.676 -5.566) 5.895 6.121 ( -5.709 -1.527 -3.459) 6.848 6.565 ( -1.264 2.761 -4.238) 5.214 6.589 ( 2.513 -7.334 10.975) 13.437 6.833 ( 2.830 -0.603 9.692) 10.114 6.931 ( 8.231 -2.159 0.751) 8.543 7.585 ( 5.943 -2.335 -4.032) 7.552 7.891 ( -9.403 -1.252 32.604) 33.956 8.155 ( 16.862 -5.657 19.774) 26.595 8.334 ( 4.698 3.865 -2.207) 6.472 8.546 ( -0.770 -3.183 -1.166) 3.476 8.765 ( -9.346 6.545 23.852) 26.441 9.029 ( -0.887 -4.405 -1.518) 4.743 9.215 ( 4.581 2.737 -0.827) 5.400 9.280 ( 3.911 10.509 -18.874) 21.954 9.542 ( 8.400 -0.543 -3.028) 8.946 10.140 ( 5.157 0.860 -7.749) 9.348 10.315 ( -4.969 -3.036 -9.033) 10.747 10.409 ( 1.236 -0.617 -2.131) 2.540 10.753 ( 1.733 2.328 -4.811) 5.618 11.002 ( -3.808 1.726 -5.293) 6.746 12.022 ( 0.150 2.237 15.213) 15.377 12.393 ( -6.753 0.059 -5.436) 8.669 12.736 ( 2.819 2.142 -3.003) 4.643 13.045 ( -2.435 -4.387 -1.156) 5.149 13.777 ( -2.694 -2.255 7.830) 8.583 14.067 ( 14.150 0.202 -6.675) 15.647 14.408 ( 0.603 5.419 -2.041) 5.822 15.006 ( -1.466 -1.953 -1.817) 3.044 15.753 ( -7.192 -7.880 4.967) 11.768 15.872 ( -2.608 -1.827 10.720) 11.183 15.966 ( -4.513 -3.782 4.400) 7.351 16.528 ( -8.313 -2.150 1.761) 8.766 18.777 ( -8.500 -4.458 11.259) 14.795 19.936 ( -0.367 6.800 18.630) 19.835 20.047 ( 2.423 -6.592 -34.878) 35.578 20.825 ( 9.933 8.146 -23.296) 26.603 26.052 ( 5.491 0.411 -5.172) 7.555 26.131 ( -2.290 0.411 3.433) 4.147 26.366 ( -11.730 -0.260 10.803) 15.949 27.055 ( 1.995 -6.080 -16.169) 17.389 28.509 ( -0.029 1.080 1.556) 1.894 28.714 ( -3.369 -0.861 0.333) 3.493 29.782 ( 9.096 4.876 -1.184) 10.388 29.934 ( 4.910 -0.076 12.701) 13.617 30.144 ( -10.695 -1.484 8.946) 14.022 30.518 ( 8.194 -2.028 10.619) 13.566 30.714 ( -7.301 3.499 4.901) 9.464 31.801 ( 9.886 1.988 -22.517) 24.672 ======================= Grid point 280 (148/186) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 15.025 23.492 -2.108) 27.966 3.012 ( -5.086 6.056 -0.359) 7.916 3.615 ( -2.059 -2.243 10.603) 11.031 3.736 ( -6.551 10.395 13.742) 18.434 4.149 ( -1.063 12.061 -7.496) 14.240 4.319 ( 0.247 0.939 -8.087) 8.146 4.702 ( -0.538 23.883 9.276) 25.627 4.933 ( -0.757 -5.114 6.525) 8.325 5.296 ( 0.384 9.081 -11.941) 15.007 5.618 ( -8.071 0.380 -6.319) 10.258 5.824 ( -3.632 8.490 -3.412) 9.844 6.074 ( 1.601 -4.204 4.507) 6.367 6.197 ( 2.382 -2.611 -5.817) 6.806 6.438 ( -1.763 1.900 -10.748) 11.056 6.777 ( 1.105 -3.571 14.818) 15.282 6.936 ( 1.137 -2.608 19.617) 19.822 7.032 ( 7.146 2.816 2.453) 8.063 7.704 ( 7.326 -4.618 -5.924) 10.492 7.932 ( -8.727 -0.838 35.002) 36.083 8.185 ( 2.602 21.255 9.973) 23.622 8.422 ( -0.006 -7.327 10.375) 12.702 8.533 ( -6.315 2.668 14.426) 15.973 8.720 ( -1.564 -0.326 9.915) 10.043 8.936 ( -4.583 17.267 -12.237) 21.654 9.102 ( 3.056 5.210 -2.420) 6.507 9.282 ( 6.048 -1.555 -2.214) 6.625 9.645 ( 10.361 -0.261 -10.811) 14.976 10.034 ( -4.511 2.200 -20.076) 20.694 10.388 ( 2.282 -7.193 -5.094) 9.104 10.466 ( 0.222 -7.576 -1.944) 7.824 10.707 ( 1.899 2.756 -2.259) 4.038 10.915 ( -1.825 2.773 -5.569) 6.483 12.092 ( 3.613 -0.308 13.847) 14.313 12.297 ( -5.824 3.305 1.957) 6.976 12.661 ( -3.783 5.287 0.095) 6.502 13.097 ( 2.135 -6.358 -10.430) 12.400 13.713 ( -7.252 4.747 13.115) 15.721 14.296 ( 11.580 -7.600 -1.391) 13.921 14.399 ( 9.043 1.942 -11.403) 14.683 14.964 ( -4.004 -1.295 -8.521) 9.504 15.768 ( -3.711 -2.282 4.332) 6.144 15.969 ( -6.642 -6.220 7.232) 11.624 16.022 ( 0.543 -11.479 10.690) 15.695 16.502 ( -2.418 -4.126 -2.817) 5.551 18.807 ( -9.426 -7.504 18.782) 22.314 19.872 ( -3.652 8.812 17.194) 19.663 20.057 ( 5.301 -7.534 -34.405) 35.617 20.726 ( 9.285 9.476 -24.913) 28.226 26.069 ( -6.709 0.416 3.764) 7.704 26.137 ( 9.172 -1.082 -5.622) 10.812 26.347 ( -2.884 -2.932 13.499) 14.111 27.090 ( -0.522 -6.688 -16.206) 17.539 28.499 ( 0.197 1.629 4.338) 4.638 28.700 ( -2.095 -2.196 -1.886) 3.573 29.768 ( 3.930 8.526 0.767) 9.420 29.982 ( -7.345 -0.750 4.356) 8.572 30.119 ( 3.371 1.783 12.234) 12.815 30.556 ( -5.610 5.330 4.045) 8.732 30.723 ( 7.302 -1.909 12.529) 14.626 31.747 ( 2.921 4.112 -22.928) 23.476 ======================= Grid point 281 (149/186) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 10.214 18.978 2.053) 21.650 2.815 ( -6.740 7.399 -7.341) 12.412 3.595 ( -5.965 6.488 17.929) 19.978 3.713 ( 1.285 -4.787 8.741) 10.048 3.956 ( -4.454 5.848 -8.171) 10.991 4.301 ( -1.862 15.133 17.777) 23.420 4.361 ( 1.883 11.635 -8.107) 14.305 4.919 ( -12.709 5.932 -1.070) 14.066 5.144 ( 7.430 3.275 -6.275) 10.262 5.507 ( -1.596 -1.562 -12.991) 13.182 5.764 ( 1.683 2.567 4.153) 5.164 6.058 ( -1.860 3.817 -8.087) 9.133 6.238 ( 0.244 -2.942 2.375) 3.789 6.419 ( 2.720 -0.428 -2.260) 3.562 6.834 ( -2.146 0.269 8.429) 8.702 7.010 ( -2.861 2.314 9.276) 9.980 7.078 ( 4.266 5.684 18.876) 20.169 7.785 ( -1.472 0.693 -2.207) 2.742 7.890 ( 0.689 11.580 3.386) 12.084 8.065 ( 1.951 6.304 34.233) 34.863 8.418 ( -10.988 2.921 12.641) 17.001 8.531 ( -3.817 4.232 6.025) 8.294 8.543 ( -1.294 15.264 1.569) 15.399 8.776 ( 1.657 -2.840 2.152) 3.930 9.043 ( -0.322 4.994 -1.133) 5.131 9.359 ( 3.483 -0.230 -2.322) 4.193 9.725 ( 11.206 1.610 -13.221) 17.406 9.876 ( -4.191 -1.624 -24.931) 25.333 10.399 ( -0.802 6.070 -5.319) 8.111 10.521 ( -0.431 -3.148 -8.450) 9.027 10.821 ( 4.758 -10.529 4.209) 12.297 10.878 ( 0.140 -3.804 -0.406) 3.828 12.074 ( -13.254 7.685 11.375) 19.082 12.248 ( 8.754 1.881 1.581) 9.092 12.588 ( -1.539 0.743 8.699) 8.865 13.172 ( 2.575 -7.408 -17.225) 18.927 13.650 ( -5.050 -0.400 12.176) 13.188 14.340 ( 1.090 2.602 -15.116) 15.377 14.538 ( 9.578 1.931 2.547) 10.098 14.899 ( -0.089 -0.859 -15.573) 15.597 15.752 ( -5.378 -1.175 7.683) 9.451 16.031 ( -4.530 -9.584 1.440) 10.698 16.288 ( 2.269 -16.898 13.529) 21.765 16.543 ( -0.930 -5.989 -3.178) 6.844 18.882 ( -9.728 -7.704 25.225) 28.112 19.747 ( -6.248 8.814 15.358) 18.777 20.118 ( 9.127 -7.331 -32.456) 34.503 20.617 ( 9.525 8.552 -26.175) 29.137 25.999 ( -7.412 -1.120 5.374) 9.224 26.250 ( 8.499 -1.834 -6.651) 10.947 26.468 ( 4.349 -4.535 14.416) 15.726 27.093 ( -3.150 -6.409 -16.226) 17.728 28.524 ( 2.613 -0.343 5.715) 6.294 28.696 ( -2.106 -2.220 -3.343) 4.532 29.668 ( 0.706 11.502 5.650) 12.834 29.831 ( -11.110 5.122 -0.392) 12.240 30.230 ( 8.034 0.956 10.122) 12.958 30.424 ( -5.498 3.992 1.080) 6.879 30.889 ( 7.735 0.223 14.514) 16.448 31.596 ( -1.903 4.985 -22.581) 23.203 ======================= Grid point 282 (150/186) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -3.356 1.954 -2.304) 4.516 2.656 ( 4.527 8.014 -1.727) 9.365 3.490 ( -4.779 8.704 14.017) 17.177 3.813 ( -0.443 -1.121 -1.343) 1.805 3.870 ( -2.914 -6.175 7.553) 10.182 4.004 ( 3.937 22.546 12.791) 26.219 4.405 ( 4.115 2.328 -2.664) 5.427 4.694 ( 4.603 3.144 -11.171) 12.484 5.258 ( 5.704 -5.296 1.709) 7.969 5.513 ( 1.808 -4.461 -11.209) 12.199 5.749 ( -0.976 3.083 4.367) 5.434 5.976 ( 3.289 4.450 -5.177) 7.577 6.239 ( -4.257 1.672 5.283) 6.988 6.477 ( 4.408 -0.785 1.779) 4.818 6.772 ( -8.240 4.249 8.868) 12.830 6.923 ( 0.297 9.811 2.794) 10.205 7.091 ( -4.017 3.325 20.429) 21.084 7.615 ( -2.469 18.185 5.984) 19.303 7.749 ( -3.890 4.200 -12.757) 13.983 8.140 ( -0.180 9.033 21.909) 23.698 8.289 ( -5.879 2.245 8.197) 10.334 8.352 ( 6.302 6.497 8.957) 12.734 8.611 ( 1.547 -2.134 12.982) 13.247 8.842 ( 0.198 -4.080 0.793) 4.161 8.975 ( 0.233 2.903 -0.731) 3.002 9.343 ( -1.667 3.254 0.132) 3.658 9.693 ( -1.334 0.322 -23.596) 23.636 9.872 ( 9.360 -1.942 -12.645) 15.852 10.214 ( -5.513 9.925 -2.645) 11.657 10.489 ( 5.424 5.968 -11.360) 13.932 10.962 ( -3.235 -11.578 3.605) 12.550 11.099 ( 3.990 -13.897 1.919) 14.585 11.844 ( -10.371 6.390 10.730) 16.233 12.322 ( 9.106 4.536 -0.997) 10.222 12.662 ( 1.213 -3.315 15.420) 15.819 13.213 ( 0.029 -6.999 -22.420) 23.487 13.683 ( -2.480 -4.135 10.392) 11.456 14.207 ( -3.232 5.439 -13.282) 14.712 14.532 ( -0.234 5.117 -2.647) 5.766 14.870 ( 5.832 3.310 -12.669) 14.334 15.748 ( -4.968 -2.401 11.230) 12.512 16.086 ( -3.302 -4.863 -2.503) 6.389 16.598 ( -6.083 -17.764 4.812) 19.384 16.607 ( 0.435 -7.816 6.931) 10.455 18.950 ( -9.722 -3.918 27.577) 29.502 19.623 ( -5.484 5.269 14.182) 16.093 20.234 ( 12.231 -7.274 -29.967) 33.174 20.532 ( 10.360 6.535 -26.521) 29.213 25.960 ( -5.712 -2.178 5.494) 8.219 26.349 ( 6.297 -2.565 -7.009) 9.765 26.651 ( 3.205 -4.984 13.309) 14.568 27.066 ( -2.400 -4.444 -14.944) 15.774 28.623 ( 4.674 -3.467 5.764) 8.191 28.672 ( -3.268 -1.135 -4.291) 5.512 29.534 ( 0.078 11.553 8.391) 14.279 29.594 ( -8.258 9.460 -1.006) 12.598 30.292 ( -1.873 2.262 1.305) 3.214 30.396 ( 5.699 -1.383 5.309) 7.911 31.011 ( 5.124 2.904 13.456) 14.689 31.406 ( -2.053 5.241 -20.595) 21.351 ======================= Grid point 286 (151/186) ======================= q-point: ( 0.38 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( 1.761 0.000 9.825) 9.981 3.184 ( 10.515 0.000 -1.542) 10.627 3.581 ( -5.721 -0.000 8.053) 9.878 4.239 ( 4.038 0.000 -8.675) 9.568 4.321 ( 2.231 0.000 6.032) 6.431 4.761 ( -9.792 -0.000 -9.251) 13.470 4.864 ( -1.447 -0.000 3.306) 3.609 5.064 ( 26.062 0.000 -10.571) 28.124 5.487 ( 0.470 0.000 -0.248) 0.532 5.792 ( -7.307 -0.000 12.342) 14.343 5.837 ( -3.301 -0.000 -1.761) 3.742 5.910 ( -4.019 -0.000 3.797) 5.529 6.181 ( -5.979 -0.000 -4.299) 7.364 6.481 ( 6.351 0.000 24.693) 25.497 6.567 ( -0.478 -0.000 -24.448) 24.453 6.848 ( 3.111 0.000 12.518) 12.899 6.893 ( 14.439 0.000 -4.784) 15.211 7.558 ( 3.359 0.000 -2.900) 4.438 7.855 ( -9.234 -0.000 29.036) 30.469 8.033 ( 20.578 0.000 22.435) 30.444 8.380 ( 5.972 0.000 -6.555) 8.868 8.503 ( 10.749 0.000 -2.346) 11.002 8.875 ( -12.411 -0.000 32.192) 34.501 8.930 ( -2.384 -0.000 -2.518) 3.468 9.343 ( 4.223 0.000 1.465) 4.470 9.371 ( 8.251 0.000 -19.602) 21.267 9.478 ( 11.264 0.000 -6.554) 13.032 10.180 ( 6.512 0.000 -11.053) 12.828 10.343 ( -8.083 -0.000 -7.676) 11.148 10.439 ( -0.709 -0.000 -2.313) 2.419 10.731 ( 3.593 0.000 -0.848) 3.692 11.026 ( -6.923 -0.000 -2.673) 7.422 12.067 ( -2.401 -0.000 17.518) 17.681 12.382 ( -6.855 -0.000 -9.481) 11.700 12.761 ( 8.786 0.000 -5.538) 10.386 12.973 ( -8.450 -0.000 7.193) 11.097 13.700 ( -1.130 -0.000 4.437) 4.579 14.028 ( 15.661 0.000 -26.166) 30.495 14.675 ( -5.200 -0.000 8.244) 9.747 14.936 ( 4.074 0.000 8.785) 9.684 15.549 ( -11.674 -0.000 8.104) 14.211 15.888 ( -5.184 -0.000 8.212) 9.711 15.932 ( -1.124 -0.000 3.729) 3.895 16.479 ( -13.487 -0.000 6.586) 15.009 18.728 ( -6.491 -0.000 4.156) 7.708 19.933 ( 0.951 0.000 -36.022) 36.035 20.040 ( 0.359 0.000 19.126) 19.129 20.949 ( 9.335 0.000 -21.366) 23.316 26.063 ( 3.686 0.000 -9.383) 10.081 26.131 ( -0.109 -0.000 7.238) 7.239 26.369 ( -16.646 -0.000 11.339) 20.141 26.960 ( 4.438 0.000 -18.312) 18.842 28.524 ( 1.859 0.000 -0.555) 1.940 28.705 ( -5.200 -0.000 2.151) 5.627 29.860 ( 11.198 0.000 -2.422) 11.457 29.912 ( 2.327 0.000 11.486) 11.720 30.131 ( -7.552 -0.000 11.498) 13.757 30.477 ( 8.722 0.000 11.945) 14.791 30.768 ( -8.935 -0.000 7.884) 11.916 31.828 ( 12.756 0.000 -24.975) 28.044 ======================= Grid point 287 (152/186) ======================= q-point: (-0.50 -0.62 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( 2.436 3.248 7.666) 8.675 3.235 ( 6.254 8.493 -1.336) 10.632 3.549 ( -5.251 -2.006 8.623) 10.293 4.136 ( -3.529 13.719 6.608) 15.631 4.304 ( -3.483 1.796 -14.418) 14.941 4.513 ( -10.328 1.638 -5.408) 11.773 4.884 ( 4.755 9.272 10.685) 14.925 5.252 ( 14.799 10.418 -2.326) 18.247 5.476 ( 3.362 3.740 -5.730) 7.624 5.611 ( -14.597 -0.604 5.463) 15.598 5.901 ( -4.745 -6.610 2.964) 8.660 5.999 ( 7.687 -8.220 -2.839) 11.607 6.037 ( -9.679 2.999 -1.671) 10.270 6.468 ( -0.709 1.005 -20.947) 20.983 6.697 ( 6.650 -2.011 24.523) 25.488 6.929 ( 4.195 1.353 11.844) 12.638 7.037 ( 9.908 -0.619 -3.249) 10.445 7.590 ( 2.745 -2.266 -6.439) 7.357 7.882 ( -8.625 -2.088 33.977) 35.117 8.251 ( 0.898 -3.619 12.122) 12.682 8.404 ( 1.185 -0.260 -5.628) 5.757 8.637 ( -0.440 2.323 16.879) 17.044 8.840 ( -2.510 4.936 7.081) 8.989 8.995 ( 13.933 -2.572 6.476) 15.579 9.330 ( 2.829 5.101 -0.436) 5.849 9.380 ( 5.874 4.083 -15.209) 16.808 9.653 ( 14.590 -0.852 -4.142) 15.190 10.134 ( -8.747 2.888 -15.733) 18.232 10.203 ( 0.843 -0.872 -5.550) 5.681 10.381 ( -4.752 0.277 -4.097) 6.280 10.786 ( 3.269 0.781 -2.896) 4.436 10.932 ( -5.595 -0.652 -3.131) 6.444 12.092 ( -2.823 0.057 17.185) 17.415 12.323 ( -0.180 -0.291 -1.757) 1.790 12.793 ( -1.283 4.741 -1.001) 5.013 12.941 ( 0.437 -5.401 -4.511) 7.051 13.710 ( -6.186 -3.364 7.487) 10.278 14.168 ( 17.954 -3.373 -23.441) 29.719 14.558 ( -1.917 9.394 8.182) 12.604 14.935 ( -5.904 -0.422 -2.164) 6.302 15.614 ( 2.105 -6.717 15.305) 16.846 15.881 ( -2.022 0.725 6.615) 6.955 15.907 ( -4.585 -0.672 5.248) 7.002 16.375 ( -9.231 -4.338 2.894) 10.602 18.681 ( -6.000 -1.638 7.849) 10.014 19.849 ( 2.886 -5.393 -36.816) 37.320 20.073 ( -2.206 4.363 18.276) 18.918 20.938 ( 7.661 4.549 -21.892) 23.636 26.086 ( -8.376 0.668 3.394) 9.062 26.115 ( 7.505 -0.598 -6.747) 10.110 26.284 ( -4.974 -1.334 13.390) 14.346 26.955 ( 2.655 -2.695 -17.816) 18.213 28.544 ( 1.929 1.287 1.246) 2.632 28.654 ( -4.314 -1.061 1.031) 4.560 29.897 ( -5.598 0.377 4.772) 7.366 29.958 ( 4.900 0.587 -2.124) 5.373 30.173 ( 4.993 1.538 15.707) 16.553 30.656 ( 7.732 -1.125 17.759) 19.402 30.669 ( -8.083 1.541 4.283) 9.276 31.832 ( 5.464 1.789 -26.228) 26.851 ======================= Grid point 288 (153/186) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -7.791 10.146 0.930) 12.826 3.138 ( 8.785 13.214 0.505) 15.875 3.586 ( -1.903 -4.050 10.638) 11.541 3.881 ( -7.645 14.028 13.329) 20.806 4.148 ( -7.380 2.955 -14.210) 16.283 4.384 ( 2.757 6.700 -6.812) 9.945 4.817 ( -7.917 6.607 13.475) 16.968 5.146 ( 1.749 17.910 11.715) 21.473 5.387 ( -1.501 7.304 -8.968) 11.663 5.522 ( 0.165 1.219 -9.586) 9.665 5.860 ( -4.176 3.257 3.154) 6.164 6.007 ( -3.014 -8.415 4.924) 10.205 6.182 ( 6.063 -5.173 -6.010) 9.982 6.355 ( -0.704 0.278 -19.200) 19.215 6.835 ( -0.725 0.814 20.440) 20.469 7.028 ( 4.275 1.231 16.404) 16.997 7.136 ( 6.465 -0.732 -3.421) 7.351 7.643 ( 1.026 -6.264 -10.994) 12.695 7.947 ( -8.118 -2.160 35.912) 36.882 8.313 ( -6.396 -5.034 9.167) 12.259 8.365 ( -3.973 2.930 3.740) 6.193 8.604 ( -9.195 1.362 18.938) 21.096 8.766 ( -0.310 2.704 0.271) 2.735 9.127 ( 3.914 19.852 8.068) 21.783 9.275 ( 9.430 8.827 -4.157) 13.569 9.341 ( 6.382 0.204 -6.280) 8.956 9.802 ( 16.053 3.668 -10.125) 19.331 9.902 ( -8.424 2.507 -23.042) 24.661 10.263 ( 0.100 -8.634 -3.021) 9.148 10.352 ( -1.291 -5.979 -5.568) 8.271 10.757 ( -0.123 3.143 -0.369) 3.167 10.882 ( -2.155 -0.308 -5.091) 5.537 12.136 ( -5.952 -2.214 15.843) 17.069 12.335 ( 4.960 3.139 2.556) 6.402 12.660 ( -7.596 3.505 2.605) 8.762 13.016 ( 4.763 -3.390 -12.778) 14.052 13.658 ( -12.008 -1.440 10.475) 16.000 14.359 ( 17.511 -1.272 -16.783) 24.289 14.543 ( 5.285 0.289 4.199) 6.756 14.857 ( -1.908 -0.413 -8.485) 8.707 15.720 ( -5.200 0.056 9.933) 11.212 15.833 ( -4.397 -3.533 5.022) 7.553 15.984 ( 2.067 -5.026 14.068) 15.081 16.393 ( -0.950 -6.626 -3.559) 7.581 18.697 ( -5.323 -4.587 15.811) 17.302 19.862 ( 5.485 -8.840 -34.629) 36.158 20.011 ( -4.521 7.822 15.993) 18.368 20.856 ( 7.069 7.437 -23.041) 25.222 25.970 ( -10.485 -0.845 5.035) 11.662 26.216 ( 8.880 -0.413 -6.186) 10.830 26.351 ( 2.396 -3.684 11.944) 12.727 26.952 ( 0.729 -3.633 -17.083) 17.480 28.541 ( -0.300 1.451 4.008) 4.273 28.645 ( -0.423 -1.681 -1.542) 2.320 29.819 ( -9.618 -0.131 6.408) 11.558 29.973 ( 4.375 4.996 -1.575) 6.826 30.281 ( 6.896 3.010 14.316) 16.173 30.547 ( -6.823 3.543 1.277) 7.794 30.843 ( 6.018 -2.594 17.961) 19.119 31.713 ( -1.480 3.359 -26.740) 26.991 ======================= Grid point 289 (154/186) ======================= q-point: (-0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -14.927 13.807 -1.997) 20.431 3.052 ( 8.654 15.483 -2.058) 17.856 3.673 ( -4.007 -1.936 17.043) 17.615 3.729 ( 0.002 5.100 11.124) 12.238 3.926 ( -8.499 6.558 -7.589) 13.147 4.370 ( 7.233 0.979 -5.953) 9.419 4.560 ( -15.724 13.148 10.683) 23.114 4.970 ( -2.945 13.380 9.346) 16.584 5.245 ( 1.107 4.522 -4.952) 6.797 5.485 ( 5.570 2.855 -10.984) 12.642 5.839 ( 0.551 2.408 7.058) 7.478 6.059 ( -0.639 -0.585 -2.099) 2.271 6.214 ( 2.799 -0.352 -6.209) 6.819 6.379 ( 2.998 -6.758 -9.756) 12.241 6.842 ( -4.741 2.612 13.766) 14.792 7.049 ( -3.138 4.336 9.486) 10.892 7.213 ( 2.493 -0.121 6.182) 6.667 7.671 ( -3.688 -5.492 -10.951) 12.794 7.996 ( -7.103 1.296 27.105) 28.050 8.279 ( -7.023 1.913 11.538) 13.642 8.331 ( -6.613 -4.351 12.757) 15.013 8.527 ( -8.059 2.832 19.234) 21.045 8.783 ( 5.464 4.386 -7.776) 10.467 8.828 ( -2.161 17.675 9.389) 20.131 9.172 ( 2.711 12.781 -2.803) 13.363 9.430 ( 7.539 2.379 -2.536) 8.302 9.676 ( -6.228 -0.710 -27.158) 27.872 9.914 ( 16.656 4.586 -15.461) 23.184 10.365 ( -2.855 -4.760 -2.433) 6.061 10.430 ( 3.133 -6.738 -3.464) 8.199 10.755 ( -0.339 -3.754 0.934) 3.883 10.844 ( -0.080 -0.488 -4.047) 4.077 12.022 ( -14.846 4.746 9.280) 18.139 12.430 ( 11.340 1.878 5.715) 12.837 12.589 ( -3.807 -1.013 9.244) 10.048 13.044 ( 1.261 -3.772 -16.268) 16.747 13.590 ( -7.939 -2.367 10.269) 13.194 14.420 ( 3.410 9.265 -3.107) 10.350 14.601 ( 3.579 -2.356 -12.764) 13.464 14.888 ( 9.541 -0.939 -9.939) 13.809 15.668 ( -8.369 -3.171 9.970) 13.398 15.896 ( -1.415 -5.404 6.969) 8.931 16.173 ( 2.627 -10.175 11.435) 15.530 16.466 ( 2.223 -4.399 -5.284) 7.226 18.793 ( -4.405 -6.286 23.863) 25.068 19.846 ( -6.533 8.096 11.105) 15.217 19.984 ( 8.744 -8.800 -28.996) 31.538 20.744 ( 7.417 7.985 -24.466) 26.784 25.897 ( -7.630 -2.221 5.130) 9.459 26.288 ( 3.667 -1.285 -1.515) 4.170 26.519 ( 6.439 -4.702 6.526) 10.303 26.947 ( 1.551 -3.751 -15.486) 16.009 28.551 ( -0.372 -1.555 3.803) 4.126 28.660 ( 1.603 -0.037 -1.709) 2.343 29.704 ( -10.419 2.007 5.725) 12.056 29.911 ( 1.975 10.550 3.813) 11.390 30.367 ( 2.747 2.508 9.602) 10.298 30.423 ( -2.328 3.758 0.928) 4.517 31.014 ( 4.189 -2.463 14.638) 15.423 31.521 ( -3.814 3.012 -25.613) 26.070 ======================= Grid point 290 (155/186) ======================= q-point: (-0.12 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -15.378 5.163 -7.617) 17.921 2.941 ( 7.402 13.756 1.463) 15.689 3.619 ( -2.232 8.506 13.450) 16.070 3.728 ( -8.546 -1.971 3.784) 9.552 3.847 ( 2.819 -2.740 7.890) 8.815 4.265 ( -7.422 10.416 9.064) 15.676 4.461 ( 7.559 -1.154 -6.047) 9.749 4.832 ( 5.086 7.188 2.773) 9.231 5.254 ( 1.215 -3.601 -1.921) 4.258 5.501 ( 7.352 1.688 -7.471) 10.617 5.810 ( 0.237 3.921 3.055) 4.976 6.070 ( 5.800 1.942 -0.863) 6.177 6.224 ( -1.270 0.212 0.294) 1.321 6.483 ( 4.046 -5.661 -5.011) 8.575 6.724 ( -10.048 6.354 3.564) 12.411 6.980 ( -5.729 2.064 12.951) 14.312 7.190 ( -4.253 6.433 7.295) 10.616 7.612 ( -6.883 -2.161 -8.248) 10.958 7.919 ( -2.461 12.009 17.445) 21.321 8.200 ( -13.364 -0.043 14.163) 19.473 8.338 ( -3.448 6.482 12.492) 14.490 8.546 ( -0.881 -4.136 16.635) 17.164 8.647 ( 8.323 3.417 -1.758) 9.168 8.818 ( 2.464 4.284 -0.186) 4.945 9.038 ( 0.816 6.343 -0.881) 6.456 9.424 ( 1.414 6.449 0.470) 6.619 9.539 ( -2.929 -2.647 -24.945) 25.255 9.989 ( 12.485 2.665 -14.134) 19.046 10.279 ( -1.633 9.091 -0.302) 9.242 10.552 ( 5.288 -2.410 -5.556) 8.040 10.789 ( -3.447 -5.985 -3.613) 7.795 10.936 ( -0.148 -12.519 -0.556) 12.532 11.832 ( -9.221 3.590 11.291) 15.013 12.519 ( 8.465 5.405 -0.005) 10.044 12.675 ( 1.362 -5.300 13.877) 14.917 13.034 ( -2.291 -5.031 -15.423) 16.384 13.606 ( -3.940 -5.218 8.356) 10.610 14.223 ( -7.466 9.936 -3.896) 13.025 14.584 ( 5.844 6.036 -15.086) 17.268 14.964 ( 7.399 1.245 -7.571) 10.659 15.687 ( -4.076 -3.661 12.430) 13.584 15.975 ( -3.100 -5.844 5.380) 8.527 16.368 ( -1.336 -9.171 0.238) 9.271 16.543 ( 1.655 -5.827 4.119) 7.325 18.919 ( -4.250 -3.782 27.325) 27.911 19.689 ( -6.816 7.223 14.291) 17.404 20.138 ( 11.861 -10.354 -30.997) 34.767 20.642 ( 8.190 6.374 -25.642) 27.662 25.878 ( -4.239 -2.984 5.041) 7.231 26.337 ( 1.199 -2.425 -3.577) 4.484 26.623 ( -3.087 -3.507 3.343) 5.745 27.009 ( 8.710 -3.107 -9.948) 13.582 28.587 ( -1.875 -2.963 -0.366) 3.526 28.683 ( 3.588 0.266 1.650) 3.958 29.559 ( -7.792 4.032 4.189) 9.722 29.774 ( -0.438 13.042 8.609) 15.633 30.297 ( -2.146 2.942 -1.078) 3.798 30.473 ( 3.297 0.028 8.973) 9.559 31.067 ( -6.370 0.133 2.650) 6.900 31.407 ( 6.621 1.488 -15.590) 17.003 ======================= Grid point 295 (156/186) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( -1.213 -0.000 5.752) 5.878 3.377 ( 5.290 0.000 -1.562) 5.515 3.492 ( -5.834 -0.000 12.586) 13.872 4.152 ( -12.656 -0.000 -13.936) 18.825 4.204 ( -10.370 -0.000 5.718) 11.842 4.394 ( -0.099 -0.000 6.540) 6.541 5.121 ( 7.274 0.000 6.302) 9.624 5.421 ( -15.550 -0.000 4.960) 16.322 5.477 ( 2.622 0.000 0.988) 2.802 5.550 ( 13.261 0.000 -10.659) 17.014 5.749 ( -7.104 -0.000 -0.511) 7.123 5.916 ( -11.831 -0.000 2.985) 12.202 6.018 ( 6.399 0.000 -2.404) 6.835 6.408 ( -0.105 -0.000 -15.545) 15.546 6.851 ( 3.166 0.000 20.178) 20.424 7.065 ( 8.518 0.000 12.298) 14.959 7.111 ( 5.221 0.000 -5.104) 7.301 7.542 ( -1.491 -0.000 -10.857) 10.958 7.899 ( -8.036 -0.000 35.647) 36.542 8.253 ( -4.489 -0.000 13.839) 14.549 8.386 ( 0.511 0.000 -6.611) 6.630 8.607 ( -12.810 -0.000 20.847) 24.468 8.765 ( -7.806 -0.000 -6.466) 10.137 9.334 ( 8.631 0.000 -3.574) 9.341 9.430 ( 5.974 0.000 -12.694) 14.029 9.434 ( 21.349 0.000 12.651) 24.816 9.845 ( 12.358 0.000 -6.509) 13.967 9.953 ( -9.614 -0.000 -9.847) 13.762 10.180 ( 3.278 0.000 -12.950) 13.359 10.273 ( -8.735 -0.000 -3.648) 9.466 10.824 ( -8.289 -0.000 -0.913) 8.340 10.840 ( 4.457 0.000 -2.209) 4.975 12.084 ( -7.599 -0.000 16.460) 18.129 12.373 ( 6.661 0.000 1.380) 6.802 12.732 ( -13.400 -0.000 4.106) 14.015 12.965 ( 11.373 0.000 -8.569) 14.240 13.602 ( -10.016 -0.000 3.454) 10.595 14.280 ( 18.673 0.000 -26.022) 32.029 14.612 ( -1.708 -0.000 7.928) 8.110 14.868 ( -1.036 -0.000 -3.305) 3.463 15.770 ( 13.049 0.000 21.967) 25.550 15.780 ( -13.816 -0.000 3.416) 14.232 15.941 ( 2.288 0.000 8.048) 8.367 16.239 ( -6.928 -0.000 1.545) 7.099 18.643 ( -3.277 -0.000 8.441) 9.054 19.710 ( 5.152 0.000 -37.427) 37.780 20.134 ( -4.491 -0.000 18.121) 18.670 20.968 ( 5.660 0.000 -21.395) 22.131 25.958 ( -12.126 -0.000 5.120) 13.162 26.220 ( 13.116 0.000 -8.424) 15.588 26.289 ( -2.279 -0.000 13.388) 13.581 26.901 ( 2.383 0.000 -17.680) 17.840 28.587 ( -5.178 -0.000 2.029) 5.561 28.600 ( 3.907 0.000 0.751) 3.978 29.806 ( -9.638 -0.000 7.507) 12.216 30.032 ( 6.389 0.000 -5.615) 8.506 30.343 ( 9.064 0.000 15.437) 17.901 30.591 ( -7.749 -0.000 2.007) 8.005 30.803 ( 3.866 0.000 21.249) 21.598 31.764 ( -1.752 -0.000 -28.009) 28.064 ======================= Grid point 296 (157/186) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( -10.238 8.152 2.553) 13.334 3.353 ( 3.295 7.012 0.740) 7.782 3.546 ( -1.608 -4.527 12.660) 13.541 3.897 ( -17.052 2.065 9.110) 19.443 4.112 ( -0.380 6.633 -3.835) 7.672 4.415 ( -0.811 0.198 2.274) 2.422 4.999 ( -5.318 20.206 6.525) 21.889 5.230 ( -13.083 2.834 4.217) 14.034 5.423 ( -1.204 5.984 -8.109) 10.150 5.627 ( 8.375 3.389 -4.352) 10.029 5.800 ( -8.804 -8.443 7.076) 14.102 5.851 ( 2.208 -5.292 4.473) 7.272 6.130 ( 4.581 -7.163 -4.629) 9.681 6.328 ( 0.108 3.007 -12.629) 12.983 6.910 ( -2.457 1.646 15.710) 15.986 7.145 ( 2.237 -2.278 -7.105) 7.789 7.189 ( 4.657 4.282 11.402) 13.040 7.498 ( -2.564 -5.204 -14.150) 15.293 7.952 ( -9.227 -1.840 37.974) 39.122 8.226 ( -9.831 -0.445 17.096) 19.726 8.346 ( -5.056 2.524 4.321) 7.114 8.530 ( -8.374 -0.335 5.969) 10.289 8.691 ( -3.916 -6.580 -4.686) 8.977 9.298 ( -3.846 3.997 -1.830) 5.841 9.407 ( 2.816 5.801 -8.449) 10.629 9.587 ( -8.160 5.217 -12.564) 15.863 9.738 ( 8.556 5.447 0.193) 10.145 10.062 ( 16.972 5.165 -11.422) 21.099 10.193 ( 2.926 -1.717 0.411) 3.417 10.240 ( 3.916 -6.371 -8.824) 11.567 10.729 ( -6.457 -1.422 -0.208) 6.615 10.871 ( 1.936 1.337 -0.879) 2.511 12.042 ( -11.497 -1.857 12.835) 17.331 12.462 ( 6.291 1.066 2.905) 7.011 12.575 ( -11.762 -0.336 7.245) 13.818 13.054 ( 9.328 2.818 -10.568) 14.374 13.510 ( -8.670 -3.204 2.652) 9.616 14.414 ( 8.236 -7.012 -22.236) 24.728 14.654 ( 10.137 5.891 4.653) 12.614 14.887 ( 7.203 0.419 -4.614) 8.564 15.608 ( -14.926 -0.961 7.648) 16.799 15.932 ( 6.590 7.620 11.460) 15.259 16.031 ( 3.992 -1.423 12.714) 13.402 16.274 ( 1.977 -9.785 -0.127) 9.984 18.671 ( -1.140 -1.995 14.195) 14.379 19.695 ( 8.113 -6.570 -36.183) 37.659 20.099 ( -6.591 5.086 17.670) 19.532 20.919 ( 4.564 3.713 -21.929) 22.704 25.849 ( -8.930 -1.001 5.213) 10.388 26.292 ( 1.050 1.500 5.968) 6.242 26.394 ( 9.619 -3.873 -1.363) 10.459 26.875 ( 3.121 -1.375 -16.584) 16.931 28.533 ( -4.090 -0.056 2.337) 4.711 28.658 ( 4.126 -0.138 0.560) 4.166 29.719 ( -9.240 -0.091 7.628) 11.982 30.075 ( 5.059 1.872 -3.476) 6.417 30.472 ( 0.332 3.785 7.428) 8.343 30.515 ( 2.055 1.951 6.348) 6.952 30.925 ( 0.282 -2.685 20.306) 20.485 31.574 ( -8.466 0.900 -28.385) 29.634 ======================= Grid point 297 (158/186) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -18.545 16.773 2.087) 25.091 3.281 ( 1.982 8.440 -2.146) 8.931 3.623 ( -6.099 -3.400 16.412) 17.836 3.792 ( -5.910 -2.182 12.545) 14.038 3.955 ( -2.504 12.421 2.963) 13.013 4.411 ( 0.723 -0.691 -6.831) 6.904 4.624 ( -10.842 17.256 6.961) 21.535 5.057 ( -8.080 5.287 6.189) 11.469 5.281 ( -1.688 5.215 -9.207) 10.715 5.645 ( 8.473 7.799 1.953) 11.680 5.830 ( -7.580 -5.245 11.686) 14.884 6.010 ( 4.136 -7.007 1.601) 8.293 6.256 ( 3.295 1.937 -7.388) 8.318 6.267 ( 3.008 -7.080 -9.215) 12.004 6.878 ( -5.439 3.774 10.142) 12.111 7.112 ( -3.003 6.612 0.763) 7.301 7.198 ( -1.921 -3.954 -1.354) 4.599 7.486 ( -4.867 -5.824 -12.145) 14.322 7.999 ( -11.513 -1.665 38.669) 40.380 8.177 ( -6.074 -0.086 0.120) 6.075 8.245 ( -15.765 -1.531 33.327) 36.899 8.476 ( -3.636 -3.118 -1.720) 5.089 8.788 ( 3.440 -8.167 -7.523) 11.624 9.052 ( -9.419 16.097 2.043) 18.761 9.298 ( -2.907 4.817 -7.698) 9.535 9.439 ( -1.090 -2.937 -23.538) 23.746 9.678 ( 3.025 12.412 4.276) 13.472 10.107 ( 12.514 5.445 -15.361) 20.548 10.320 ( 3.670 -8.036 1.860) 9.028 10.382 ( 10.343 -1.441 -6.663) 12.387 10.703 ( -2.154 -2.405 -1.136) 3.423 10.840 ( -1.272 3.257 0.116) 3.498 11.924 ( -12.566 1.889 10.381) 16.409 12.510 ( -7.183 -5.394 16.471) 18.761 12.574 ( 5.091 -1.581 -2.294) 5.804 13.034 ( 5.566 6.001 -10.961) 13.680 13.498 ( -3.122 -3.599 3.005) 5.633 14.420 ( -6.872 -0.527 -10.747) 12.767 14.738 ( 18.805 7.090 -11.482) 23.146 14.957 ( 4.714 -0.128 -5.300) 7.095 15.559 ( -4.971 -5.183 12.859) 14.729 15.919 ( 0.242 4.150 9.717) 10.569 16.159 ( 5.096 -4.459 4.839) 8.323 16.446 ( 6.352 -3.971 1.037) 7.563 18.784 ( 0.264 -4.465 22.268) 22.713 19.791 ( 8.587 -8.857 -29.742) 32.199 19.981 ( -5.988 7.177 12.453) 15.570 20.819 ( 4.414 5.543 -23.349) 24.401 25.805 ( -4.766 -2.113 5.312) 7.443 26.303 ( -0.863 0.162 4.939) 5.016 26.527 ( 2.141 -3.585 -2.921) 5.096 26.921 ( 10.598 -2.671 -12.945) 16.942 28.510 ( -2.916 -1.930 2.003) 4.030 28.708 ( 4.181 0.825 0.548) 4.297 29.628 ( -8.533 1.245 6.883) 11.034 30.063 ( 1.179 6.171 1.235) 6.402 30.381 ( -4.303 2.565 -0.889) 5.088 30.556 ( 4.001 6.493 12.679) 14.796 31.022 ( -4.810 -3.017 8.543) 10.258 31.374 ( -4.479 -3.258 -21.096) 21.811 ======================= Grid point 298 (159/186) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -19.799 13.318 -1.271) 23.895 3.165 ( 0.939 9.445 -0.677) 9.515 3.615 ( -9.842 -2.340 16.412) 19.280 3.757 ( -3.221 8.061 6.567) 10.885 3.884 ( 2.715 -0.893 11.268) 11.625 4.268 ( -10.259 4.841 3.386) 11.838 4.514 ( 5.116 -0.322 -6.697) 8.434 4.957 ( 0.578 4.277 4.567) 6.284 5.193 ( -2.066 -0.650 -5.233) 5.664 5.663 ( 7.679 5.592 3.949) 10.288 5.826 ( -4.207 -0.662 6.986) 8.182 6.148 ( 4.530 -2.585 0.357) 5.228 6.228 ( 0.992 0.520 -4.840) 4.968 6.401 ( 4.509 -8.245 -4.317) 10.342 6.709 ( -10.153 8.093 -2.638) 13.249 7.001 ( -6.800 4.166 17.122) 18.888 7.186 ( -4.579 -0.547 -6.098) 7.645 7.439 ( -5.190 -4.539 -9.731) 11.926 8.007 ( -12.853 0.211 35.686) 37.930 8.073 ( -11.007 -1.800 8.806) 14.211 8.284 ( -7.888 -5.389 24.534) 26.328 8.531 ( 1.965 -6.026 -2.044) 6.660 8.751 ( -5.727 11.071 -0.033) 12.465 8.887 ( 2.427 -5.439 -11.800) 13.218 9.145 ( -1.797 7.223 -5.733) 9.395 9.400 ( 2.958 -1.578 -23.298) 23.538 9.563 ( 0.387 11.370 11.653) 16.286 10.122 ( 9.559 4.758 -12.341) 16.319 10.415 ( 3.842 2.867 -6.531) 8.101 10.520 ( 6.978 -6.828 -2.357) 10.043 10.692 ( -2.679 -0.504 -7.235) 7.732 10.799 ( -1.747 -2.940 3.512) 4.902 11.824 ( -4.806 2.328 13.622) 14.632 12.562 ( -5.210 -5.450 7.620) 10.720 12.659 ( 0.511 -4.740 -1.296) 4.941 12.993 ( 5.870 4.518 -3.871) 8.357 13.540 ( 0.107 -3.395 3.043) 4.560 14.224 ( -8.024 7.535 -7.514) 13.328 14.754 ( 9.934 10.274 -16.161) 21.573 14.994 ( 3.092 -2.275 -5.525) 6.728 15.668 ( 1.156 -3.694 13.866) 14.396 15.925 ( -0.959 -0.171 9.108) 9.160 16.297 ( 4.254 -4.135 -3.234) 6.757 16.542 ( 3.380 -0.640 4.527) 5.686 18.947 ( -0.352 -3.489 26.692) 26.921 19.755 ( -7.472 7.231 11.975) 15.859 20.022 ( 11.741 -10.284 -28.274) 32.296 20.704 ( 4.835 5.252 -25.215) 26.206 25.825 ( -0.728 -2.641 5.317) 5.981 26.297 ( -2.451 -0.632 -0.790) 2.652 26.528 ( -5.563 -2.524 -0.077) 6.109 27.089 ( 14.675 -2.047 -9.040) 17.357 28.519 ( -2.729 -2.941 1.108) 4.163 28.745 ( 3.479 1.226 0.865) 3.789 29.538 ( -4.796 1.981 5.670) 7.686 29.929 ( -5.335 9.643 4.844) 12.038 30.324 ( 0.652 2.528 1.831) 3.189 30.556 ( 0.041 3.439 10.231) 10.794 30.901 ( -14.179 -2.155 -9.760) 17.348 31.442 ( 8.493 -5.545 -6.440) 12.015 ======================= Grid point 304 (160/186) ======================= q-point: (-0.38 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -15.023 -0.000 4.084) 15.568 3.403 ( -1.955 -0.000 -5.518) 5.854 3.562 ( -0.307 -0.000 18.541) 18.544 3.742 ( -14.178 -0.000 18.194) 23.066 4.161 ( 1.584 0.000 -4.110) 4.404 4.426 ( -3.462 -0.000 12.023) 12.511 4.938 ( -23.547 -0.000 -7.423) 24.689 5.236 ( -4.329 -0.000 11.870) 12.635 5.384 ( -2.963 -0.000 -16.462) 16.726 5.539 ( -5.837 -0.000 6.943) 9.070 5.836 ( 3.849 0.000 8.375) 9.217 5.891 ( 8.759 0.000 2.645) 9.150 6.107 ( 2.912 0.000 -3.342) 4.433 6.301 ( -0.751 -0.000 -7.078) 7.118 6.928 ( -4.404 -0.000 9.269) 10.262 7.099 ( -1.005 -0.000 -9.176) 9.231 7.288 ( -4.599 -0.000 9.671) 10.709 7.342 ( -3.158 -0.000 -19.055) 19.315 7.970 ( -12.170 -0.000 44.648) 46.277 8.169 ( -11.718 -0.000 28.301) 30.631 8.366 ( 1.850 0.000 -4.355) 4.732 8.467 ( -10.686 -0.000 -7.565) 13.093 8.486 ( -4.755 -0.000 -1.042) 4.867 9.271 ( -3.488 -0.000 -1.129) 3.667 9.287 ( -18.085 -0.000 -22.848) 29.139 9.449 ( 3.091 0.000 -10.585) 11.027 9.871 ( -5.583 -0.000 5.058) 7.533 10.228 ( 7.092 0.000 -12.318) 14.213 10.255 ( 12.119 0.000 -0.636) 12.135 10.333 ( 15.884 0.000 -5.354) 16.762 10.633 ( -4.886 -0.000 1.890) 5.239 10.912 ( 1.805 0.000 1.744) 2.510 11.932 ( -10.639 -0.000 12.403) 16.341 12.437 ( -13.640 -0.000 14.530) 19.929 12.536 ( 3.991 0.000 -3.788) 5.502 13.203 ( 12.915 0.000 -7.502) 14.936 13.398 ( -4.244 -0.000 -1.556) 4.520 14.338 ( 2.561 0.000 -21.318) 21.472 14.876 ( 11.693 0.000 -0.035) 11.693 14.969 ( 8.259 0.000 -4.957) 9.632 15.468 ( -8.563 -0.000 12.648) 15.275 16.091 ( 6.569 0.000 2.070) 6.888 16.103 ( -3.869 -0.000 -2.693) 4.714 16.316 ( 14.998 0.000 20.965) 25.777 18.722 ( 1.909 0.000 16.382) 16.493 19.624 ( 10.779 0.000 -35.362) 36.968 20.114 ( -8.073 -0.000 18.180) 19.892 20.903 ( 2.797 0.000 -21.962) 22.139 25.774 ( -4.983 -0.000 5.616) 7.508 26.322 ( -3.753 -0.000 13.870) 14.368 26.458 ( 6.548 0.000 -10.778) 12.611 26.882 ( 10.550 0.000 -14.423) 17.870 28.485 ( -4.149 -0.000 2.186) 4.689 28.719 ( 4.678 0.000 1.024) 4.788 29.643 ( -7.805 -0.000 7.637) 10.919 30.130 ( 3.608 0.000 -3.387) 4.949 30.419 ( -5.232 -0.000 -1.649) 5.486 30.719 ( 10.741 0.000 11.476) 15.718 30.940 ( -6.382 -0.000 20.944) 21.894 31.307 ( -15.244 -0.000 -28.166) 32.026 ======================= Grid point 305 (161/186) ======================= q-point: (-0.25 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -20.713 13.084 6.256) 25.286 3.309 ( -6.877 1.684 -2.287) 7.441 3.604 ( -5.591 1.467 21.570) 22.331 3.732 ( -4.701 -3.847 18.863) 19.817 4.100 ( -1.998 8.264 2.756) 8.938 4.377 ( -6.455 3.591 -0.101) 7.387 4.589 ( -18.585 0.536 -3.809) 18.978 5.131 ( -2.136 9.714 12.353) 15.860 5.258 ( -2.558 2.975 -15.532) 16.020 5.613 ( -6.484 -12.124 9.429) 16.672 5.892 ( 4.501 6.784 9.727) 12.684 5.965 ( 0.081 -2.115 1.118) 2.394 6.205 ( 4.134 -7.913 -1.205) 9.009 6.287 ( 3.842 1.173 -4.714) 6.193 6.850 ( -9.116 2.331 -3.341) 9.985 7.045 ( -7.645 -4.836 -10.778) 14.071 7.153 ( -6.397 4.948 7.535) 11.053 7.318 ( -1.513 -4.592 -9.824) 10.950 7.973 ( -15.932 -0.531 44.455) 47.227 8.173 ( -2.330 2.533 9.809) 10.395 8.185 ( -13.533 6.089 16.608) 22.272 8.365 ( -4.585 -3.541 -1.707) 6.039 8.581 ( -2.129 -14.613 -12.375) 19.267 8.992 ( -11.913 1.904 -19.281) 22.744 9.218 ( -4.781 0.234 -2.194) 5.266 9.422 ( 3.395 2.906 -11.127) 11.991 9.791 ( -5.088 2.190 6.539) 8.570 10.241 ( 6.383 2.277 -10.766) 12.721 10.344 ( 7.025 3.019 -2.487) 8.041 10.475 ( 8.312 -1.415 -9.813) 12.937 10.629 ( -2.056 -3.340 -0.151) 3.925 10.916 ( 2.076 4.867 4.585) 7.001 11.886 ( -3.716 1.363 15.061) 15.572 12.373 ( -11.469 -4.778 17.125) 21.157 12.556 ( 0.462 -2.290 -7.099) 7.474 13.225 ( 8.664 9.934 -6.133) 14.539 13.444 ( 3.762 -5.006 -2.052) 6.590 14.285 ( -1.071 -1.643 -21.464) 21.554 14.933 ( -2.759 -1.195 -1.311) 3.280 14.998 ( 9.151 5.910 -9.164) 14.235 15.552 ( 5.584 -3.470 15.219) 16.579 16.024 ( 0.423 4.681 2.774) 5.457 16.202 ( 7.645 -1.992 -1.580) 8.056 16.571 ( 12.432 1.265 12.505) 17.678 18.849 ( 3.431 -2.305 22.010) 22.395 19.686 ( 12.440 -6.439 -32.856) 35.717 20.037 ( -8.892 5.232 16.903) 19.803 20.824 ( 2.132 2.628 -23.149) 23.395 25.771 ( -0.502 -1.147 6.190) 6.316 26.313 ( -3.682 1.393 9.528) 10.310 26.453 ( -3.242 -2.509 -7.708) 8.730 27.034 ( 18.746 -1.328 -11.539) 22.053 28.454 ( -3.607 -1.340 2.405) 4.537 28.776 ( 4.290 0.679 0.760) 4.409 29.576 ( -6.314 0.725 6.543) 9.122 30.111 ( -3.054 3.013 -3.432) 5.494 30.369 ( -0.228 0.710 0.541) 0.921 30.752 ( -1.363 8.532 11.414) 14.315 30.855 ( -18.182 1.069 -6.460) 19.325 31.186 ( 1.785 -11.722 -4.226) 12.588 ======================= Grid point 306 (162/186) ======================= q-point: (-0.12 -0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -21.975 18.479 7.046) 29.563 3.197 ( -7.066 0.763 0.335) 7.115 3.573 ( -8.769 2.079 24.116) 25.744 3.772 ( -6.115 -0.796 11.396) 12.958 3.986 ( -0.862 4.399 7.833) 9.025 4.183 ( -8.884 3.319 -9.277) 13.267 4.478 ( -5.275 -2.863 -1.505) 6.188 5.069 ( 2.658 7.011 6.645) 10.019 5.152 ( -1.254 -0.296 -5.973) 6.110 5.705 ( -3.798 -2.508 8.485) 9.629 5.895 ( -1.254 -0.997 13.397) 13.493 6.011 ( -1.246 -8.312 -4.112) 9.357 6.227 ( -1.448 3.780 -8.171) 9.119 6.408 ( 6.924 -5.587 3.787) 9.669 6.633 ( -11.717 3.286 -8.624) 14.915 6.954 ( -10.592 -5.022 -12.561) 17.181 7.066 ( -7.950 3.588 19.543) 21.401 7.374 ( 8.275 -2.659 -9.018) 12.525 7.945 ( -16.186 -1.845 37.208) 40.618 7.970 ( -10.563 3.559 6.754) 13.033 8.241 ( -5.061 -6.185 19.326) 20.913 8.404 ( -2.560 -8.590 1.544) 9.095 8.677 ( -3.067 -11.077 -13.261) 17.549 8.768 ( -6.994 5.327 -9.951) 13.278 9.138 ( -3.983 1.245 -2.671) 4.955 9.383 ( 3.997 2.360 -13.499) 14.275 9.748 ( -1.001 3.665 8.578) 9.381 10.235 ( 4.495 4.076 -11.953) 13.405 10.389 ( 5.744 -2.957 -6.037) 8.842 10.511 ( 1.461 -2.563 -13.381) 13.702 10.636 ( -1.123 -0.152 0.180) 1.148 10.886 ( 3.422 7.006 7.521) 10.834 11.910 ( 2.149 3.585 17.091) 17.595 12.383 ( -10.795 -7.637 10.527) 16.902 12.564 ( -2.507 -4.432 -4.429) 6.748 13.182 ( 8.455 8.333 -3.512) 12.379 13.547 ( 5.961 -1.817 -1.382) 6.383 14.175 ( -2.413 2.274 -17.545) 17.855 14.849 ( -4.889 2.650 -6.239) 8.357 15.017 ( 7.553 2.047 -11.367) 13.801 15.703 ( 1.449 -2.482 12.457) 12.784 16.038 ( 7.472 4.548 9.665) 13.036 16.309 ( 6.219 -1.754 -5.929) 8.770 16.674 ( 7.337 7.039 7.981) 12.926 19.020 ( 1.839 -2.379 25.711) 25.886 19.775 ( -0.438 1.061 -4.879) 5.013 19.953 ( 4.246 -3.128 -10.530) 11.777 20.712 ( 2.453 3.671 -25.130) 25.514 25.835 ( 3.360 -1.678 6.390) 7.412 26.256 ( -4.515 1.549 -0.914) 4.860 26.423 ( -5.652 -2.991 3.490) 7.286 27.246 ( 18.057 0.342 -10.361) 20.821 28.446 ( -3.731 -2.590 2.669) 5.268 28.808 ( 2.818 1.744 0.292) 3.327 29.532 ( -2.175 -0.020 4.188) 4.719 29.940 ( -10.015 5.994 -1.228) 11.736 30.397 ( 3.692 1.163 5.222) 6.500 30.581 ( -18.005 -3.608 -11.290) 21.556 30.651 ( -5.828 4.885 10.224) 12.742 31.413 ( 7.966 -10.260 -3.381) 13.422 ======================= Grid point 313 (163/186) ======================= q-point: (-0.25 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -20.766 -0.000 10.145) 23.112 3.174 ( -15.485 -0.000 5.149) 16.319 3.637 ( -6.436 -0.000 17.839) 18.965 3.731 ( -6.152 -0.000 22.522) 23.347 4.096 ( -12.276 -0.000 5.713) 13.541 4.260 ( -8.375 -0.000 -19.163) 20.913 4.387 ( -7.724 -0.000 12.499) 14.693 5.163 ( -5.042 -0.000 -13.239) 14.167 5.244 ( -2.037 -0.000 12.756) 12.917 5.478 ( -3.501 -0.000 3.316) 4.822 5.938 ( -7.358 -0.000 10.919) 13.167 6.071 ( 6.618 0.000 6.638) 9.373 6.139 ( 1.420 0.000 -1.739) 2.245 6.335 ( 1.508 0.000 -2.682) 3.077 6.666 ( -17.093 -0.000 -12.749) 21.324 6.856 ( -4.524 -0.000 -14.036) 14.747 7.128 ( -9.912 -0.000 22.765) 24.829 7.317 ( 11.836 0.000 -13.701) 18.106 7.939 ( -16.029 -0.000 41.638) 44.616 8.128 ( -7.330 -0.000 -19.617) 20.941 8.143 ( -16.654 -0.000 23.173) 28.537 8.290 ( -3.555 -0.000 3.839) 5.232 8.415 ( 2.903 0.000 0.968) 3.060 8.795 ( -5.540 -0.000 -22.152) 22.834 9.149 ( -6.746 -0.000 0.397) 6.757 9.446 ( 3.487 0.000 -9.563) 10.179 9.738 ( -6.782 -0.000 6.647) 9.496 10.270 ( 1.893 0.000 -6.967) 7.220 10.418 ( -0.388 -0.000 -4.852) 4.868 10.482 ( 3.624 0.000 -19.681) 20.012 10.612 ( 4.306 0.000 7.709) 8.830 11.017 ( 4.096 0.000 5.746) 7.056 11.969 ( 2.544 0.000 18.447) 18.621 12.265 ( -10.222 -0.000 17.963) 20.668 12.492 ( -1.965 -0.000 -10.126) 10.315 13.369 ( 2.748 0.000 -2.527) 3.733 13.484 ( 12.688 0.000 -6.645) 14.323 14.179 ( 0.601 0.000 -25.678) 25.685 14.849 ( -7.148 -0.000 -0.051) 7.148 15.073 ( 3.593 0.000 -10.049) 10.671 15.668 ( 4.265 0.000 10.757) 11.572 16.110 ( 7.767 0.000 6.867) 10.368 16.279 ( 8.291 0.000 -5.858) 10.152 16.819 ( 14.143 0.000 11.015) 17.926 18.976 ( 4.427 0.000 23.816) 24.224 19.686 ( 15.102 0.000 -32.461) 35.802 20.017 ( -11.086 -0.000 17.161) 20.431 20.769 ( 1.185 0.000 -23.909) 23.939 25.809 ( 3.487 0.000 7.412) 8.191 26.325 ( -4.499 -0.000 14.427) 15.112 26.333 ( -5.397 -0.000 -10.385) 11.704 27.248 ( 22.553 0.000 -11.375) 25.259 28.407 ( -3.932 -0.000 3.112) 5.015 28.837 ( 3.841 0.000 0.469) 3.870 29.530 ( -5.244 -0.000 3.795) 6.473 30.042 ( -8.009 -0.000 -6.832) 10.527 30.406 ( 3.628 0.000 3.731) 5.205 30.486 ( -24.645 -0.000 -14.759) 28.726 30.836 ( -12.474 -0.000 16.688) 20.835 31.169 ( 11.874 0.000 -0.260) 11.877 ======================= Grid point 314 (164/186) ======================= q-point: (-0.12 -0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -19.159 16.572 14.092) 28.988 3.027 ( -16.597 -6.248 10.088) 20.402 3.588 ( -9.587 1.968 19.553) 21.866 3.634 ( -17.478 -3.890 3.988) 18.344 4.035 ( 1.791 3.860 11.194) 11.975 4.138 ( -0.253 3.749 -14.833) 15.302 4.348 ( -8.307 -2.815 6.122) 10.696 5.056 ( -8.183 -3.904 -5.142) 10.423 5.232 ( 1.992 6.221 6.931) 9.524 5.560 ( -5.056 -16.709 6.703) 18.700 5.796 ( -5.545 8.788 7.459) 12.791 6.085 ( -2.085 6.721 0.295) 7.043 6.205 ( -2.581 -3.149 -0.087) 4.072 6.336 ( -2.337 -8.724 -1.983) 9.247 6.418 ( -14.776 -1.456 -7.574) 16.668 6.834 ( 6.223 0.273 -10.072) 11.843 7.102 ( -6.775 1.920 22.306) 23.391 7.459 ( 14.921 -1.900 -9.991) 18.058 7.873 ( -14.854 1.848 22.453) 26.985 7.922 ( -9.699 2.654 9.558) 13.873 8.057 ( -8.751 -6.944 -5.529) 12.464 8.323 ( -5.900 -4.195 20.234) 21.490 8.505 ( -0.345 -6.483 1.935) 6.774 8.690 ( 0.336 -0.335 -17.078) 17.085 9.064 ( -7.395 -0.964 1.734) 7.656 9.435 ( 4.315 3.320 -8.706) 10.268 9.709 ( -5.032 -3.457 5.055) 7.926 10.245 ( -1.807 1.713 -8.192) 8.562 10.365 ( -1.141 -3.575 -8.863) 9.624 10.417 ( -1.087 -0.732 -21.102) 21.143 10.745 ( 10.568 3.224 11.593) 16.014 11.051 ( 3.474 5.410 6.394) 9.067 12.040 ( -2.791 -0.007 17.166) 17.392 12.250 ( -3.879 0.344 12.661) 13.246 12.449 ( -3.004 -3.992 -5.610) 7.512 13.365 ( 6.310 5.878 -2.800) 9.067 13.613 ( 9.367 -0.997 -7.472) 12.023 14.100 ( 2.148 -0.622 -22.503) 22.614 14.758 ( -7.250 -0.200 -2.613) 7.709 15.052 ( 1.976 0.521 -13.764) 13.915 15.720 ( -1.291 -0.854 8.441) 8.581 16.270 ( 11.939 2.844 13.867) 18.518 16.344 ( 5.584 -0.227 -9.071) 10.654 16.952 ( 11.002 9.417 5.926) 15.647 19.125 ( 1.587 -0.610 25.182) 25.240 19.775 ( 8.345 -0.124 -18.141) 19.969 19.917 ( -5.489 -0.666 2.697) 6.152 20.674 ( 1.546 1.805 -25.420) 25.531 25.908 ( 5.775 -0.841 7.896) 9.819 26.217 ( -3.825 2.123 -4.708) 6.427 26.350 ( -3.819 -2.358 11.785) 12.611 27.465 ( 19.314 2.709 -12.425) 23.125 28.382 ( -3.652 -1.501 4.156) 5.733 28.866 ( 2.222 1.839 -0.108) 2.886 29.486 ( -4.037 -2.578 -1.921) 5.160 29.860 ( -10.732 3.338 -4.313) 12.038 30.201 ( -18.769 -5.979 -6.861) 20.859 30.482 ( 3.862 -1.000 6.296) 7.454 30.690 ( -10.031 6.170 13.385) 17.828 31.366 ( 8.335 -8.067 -4.048) 12.286 ======================= Grid point 322 (165/186) ======================= q-point: (-0.12 -0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -11.232 -0.000 18.066) 21.273 2.756 ( -20.220 -0.000 20.257) 28.622 3.370 ( -14.589 -0.000 -9.144) 17.217 3.531 ( -10.996 -0.000 14.082) 17.866 4.087 ( -1.224 -0.000 -7.535) 7.634 4.233 ( -7.369 -0.000 0.494) 7.385 4.276 ( 12.413 0.000 13.390) 18.259 4.791 ( -20.790 -0.000 -2.648) 20.958 5.323 ( 0.075 0.000 12.243) 12.243 5.426 ( 0.292 0.000 0.167) 0.337 5.887 ( -4.179 -0.000 9.457) 10.339 5.959 ( -15.470 -0.000 -3.643) 15.893 6.134 ( -6.498 -0.000 -5.374) 8.433 6.182 ( 0.972 0.000 -2.239) 2.441 6.360 ( 2.337 0.000 3.098) 3.881 6.921 ( 9.965 0.000 -8.639) 13.188 7.108 ( -8.070 -0.000 20.347) 21.889 7.584 ( 12.045 0.000 -12.930) 17.671 7.770 ( -13.944 -0.000 12.758) 18.900 7.864 ( 4.328 0.000 -23.295) 23.693 7.912 ( -13.612 -0.000 30.912) 33.776 8.296 ( -7.558 -0.000 25.577) 26.670 8.459 ( -2.405 -0.000 2.778) 3.674 8.680 ( 8.040 0.000 -13.353) 15.587 8.965 ( -8.512 -0.000 6.402) 10.650 9.503 ( 6.939 0.000 -7.720) 10.380 9.626 ( -6.329 -0.000 4.955) 8.038 10.209 ( -3.455 -0.000 -3.923) 5.227 10.239 ( -4.688 -0.000 -7.639) 8.963 10.304 ( -0.685 -0.000 -28.556) 28.564 10.979 ( 12.442 0.000 14.409) 19.037 11.157 ( 3.126 0.000 6.393) 7.116 11.967 ( -12.062 -0.000 12.115) 17.095 12.333 ( -3.482 -0.000 -10.101) 10.685 12.382 ( 5.058 0.000 19.911) 20.544 13.481 ( 6.386 0.000 0.620) 6.416 13.666 ( 7.101 0.000 -18.080) 19.425 14.061 ( 6.208 0.000 -18.282) 19.307 14.652 ( -7.329 -0.000 -4.131) 8.413 14.992 ( -1.825 -0.000 -14.533) 14.647 15.727 ( -1.596 -0.000 8.686) 8.831 16.358 ( 2.728 0.000 -11.240) 11.566 16.493 ( 9.496 0.000 17.313) 19.747 17.175 ( 9.789 0.000 -0.126) 9.790 19.223 ( -2.501 -0.000 25.511) 25.634 19.777 ( -17.915 -0.000 14.143) 22.825 19.873 ( 19.218 0.000 -29.991) 35.620 20.605 ( 1.921 0.000 -26.121) 26.191 26.000 ( 3.699 0.000 8.563) 9.328 26.193 ( 1.363 0.000 -5.002) 5.185 26.367 ( 0.428 0.000 15.896) 15.902 27.644 ( 10.727 0.000 -16.379) 19.579 28.371 ( 1.749 0.000 6.325) 6.562 28.903 ( 0.913 0.000 -0.655) 1.124 29.356 ( -7.554 -0.000 -7.880) 10.916 29.701 ( -13.298 -0.000 -7.309) 15.174 29.999 ( -5.749 -0.000 7.219) 9.229 30.502 ( -4.105 -0.000 5.865) 7.159 30.691 ( -3.044 -0.000 12.314) 12.685 31.379 ( 5.161 0.000 -6.324) 8.162 ======================= Grid point 323 (166/186) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -5.657 -0.000 -12.870) 14.058 2.662 ( 5.657 0.000 12.870) 14.058 3.239 ( -10.195 -0.000 -10.807) 14.857 3.239 ( 10.195 0.000 10.807) 14.857 3.950 ( -4.325 -0.000 -2.838) 5.173 3.950 ( 4.325 0.000 2.838) 5.173 4.549 ( 12.914 0.000 -16.589) 21.023 4.549 ( -12.914 -0.000 16.589) 21.023 5.621 ( -2.373 -0.000 -5.059) 5.588 5.621 ( 2.373 0.000 5.059) 5.588 5.666 ( -3.927 -0.000 -6.605) 7.684 5.666 ( 3.927 0.000 6.605) 7.684 6.165 ( -0.502 -0.000 -0.768) 0.917 6.165 ( 0.502 0.000 0.768) 0.917 6.693 ( -0.825 -0.000 -15.334) 15.356 6.693 ( 0.825 0.000 15.334) 15.356 7.247 ( 12.934 0.000 -15.940) 20.527 7.247 ( -12.934 -0.000 15.940) 20.527 7.817 ( 9.201 0.000 -11.125) 14.437 7.817 ( -9.201 -0.000 11.125) 14.437 8.255 ( 6.066 0.000 -14.675) 15.880 8.255 ( -6.066 -0.000 14.675) 15.880 8.876 ( -7.036 -0.000 -2.253) 7.388 8.876 ( 7.036 0.000 2.253) 7.388 9.151 ( 6.680 0.000 -41.548) 42.082 9.151 ( -6.680 -0.000 41.548) 42.082 9.690 ( 8.850 0.000 -13.084) 15.796 9.690 ( -8.850 -0.000 13.084) 15.796 10.029 ( 2.925 0.000 -2.329) 3.739 10.029 ( -2.925 -0.000 2.329) 3.739 11.411 ( 0.399 0.000 -3.526) 3.548 11.411 ( -0.399 -0.000 3.526) 3.548 11.999 ( 6.058 0.000 -14.690) 15.890 11.999 ( -6.058 -0.000 14.690) 15.890 13.008 ( -2.676 -0.000 -21.919) 22.082 13.008 ( 2.676 0.000 21.919) 22.082 13.861 ( -1.599 -0.000 -14.074) 14.165 13.861 ( 1.599 0.000 14.074) 14.165 14.553 ( -2.122 -0.000 -8.754) 9.007 14.553 ( 2.122 0.000 8.754) 9.007 16.016 ( -0.732 -0.000 -12.528) 12.549 16.016 ( 0.732 0.000 12.528) 12.549 17.067 ( -1.509 -0.000 -12.576) 12.666 17.067 ( 1.509 0.000 12.576) 12.666 19.666 ( 24.026 0.000 -26.811) 36.001 19.666 ( -24.026 -0.000 26.811) 36.001 19.937 ( 3.730 0.000 -25.178) 25.453 19.937 ( -3.730 -0.000 25.178) 25.453 26.178 ( 6.287 0.000 -7.276) 9.616 26.178 ( -6.287 -0.000 7.276) 9.616 27.025 ( -10.049 -0.000 -19.794) 22.199 27.025 ( 10.049 0.000 19.794) 22.199 28.754 ( -8.407 -0.000 -4.914) 9.737 28.754 ( 8.407 0.000 4.914) 9.737 29.253 ( -5.977 -0.000 -3.259) 6.808 29.253 ( 5.977 0.000 3.259) 6.808 30.311 ( -9.655 -0.000 -3.771) 10.366 30.311 ( 9.655 0.000 3.771) 10.366 31.093 ( -3.008 -0.000 -13.019) 13.362 31.093 ( 3.008 0.000 13.019) 13.362 ======================= Grid point 325 (167/186) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -3.105 10.502 -15.208) 18.741 2.769 ( 8.700 2.973 10.923) 14.277 3.292 ( 3.116 -16.504 -4.208) 17.314 3.536 ( 15.087 -11.304 2.135) 18.972 3.906 ( -1.946 1.044 1.948) 2.945 4.050 ( 9.708 -0.279 1.123) 9.777 4.375 ( -8.118 10.540 4.639) 14.090 4.648 ( 17.503 4.065 -4.812) 18.602 5.492 ( -2.488 6.572 -7.922) 10.590 5.630 ( 4.924 6.890 7.719) 11.458 5.687 ( -1.061 -7.625 -5.770) 9.621 5.832 ( 6.228 -5.419 7.272) 11.002 6.139 ( -5.344 -3.962 -4.434) 7.995 6.304 ( 6.272 -11.235 -2.634) 13.134 6.621 ( -2.270 -0.731 -16.945) 17.112 6.781 ( -0.810 -4.126 11.697) 12.430 7.195 ( -8.621 -5.993 19.850) 22.455 7.341 ( 8.908 0.087 -10.629) 13.868 7.699 ( -16.702 -0.829 14.858) 22.370 7.858 ( 3.124 -2.303 -7.686) 8.610 8.311 ( 0.740 -3.522 8.917) 9.616 8.351 ( 14.695 -1.914 -18.701) 23.861 8.793 ( -4.899 -2.272 -6.288) 8.288 8.969 ( 5.806 -0.484 0.498) 5.848 9.056 ( 3.777 -0.162 -36.334) 36.530 9.204 ( -8.602 0.046 34.507) 35.564 9.626 ( -7.474 2.836 19.975) 21.516 9.743 ( 8.298 1.024 -10.587) 13.490 10.039 ( -0.400 -1.929 2.731) 3.367 10.137 ( 6.132 -7.021 1.217) 9.401 11.303 ( -7.344 7.661 -3.155) 11.071 11.331 ( -3.291 5.142 -5.593) 8.280 12.021 ( -0.766 0.171 13.139) 13.162 12.102 ( 12.753 -4.073 -9.361) 16.336 12.864 ( -4.361 2.292 -19.825) 20.428 13.104 ( 1.726 2.453 21.043) 21.256 13.773 ( -4.248 -1.639 -15.140) 15.810 13.917 ( -3.008 -2.399 10.367) 11.058 14.519 ( -0.269 1.033 -0.975) 1.446 14.660 ( 5.726 -3.199 8.119) 10.438 15.951 ( -2.050 0.303 -9.277) 9.505 16.065 ( -0.534 0.271 13.142) 13.156 16.912 ( -7.907 6.938 -10.316) 14.734 17.049 ( -2.849 7.216 9.525) 12.285 19.495 ( -20.517 -2.062 26.603) 33.658 19.797 ( 13.247 3.210 -30.781) 33.664 19.946 ( 14.237 -1.181 -20.543) 25.022 19.992 ( -2.751 1.164 26.018) 26.189 26.119 ( -5.620 1.089 5.589) 8.001 26.211 ( 4.013 0.403 -9.051) 9.909 26.813 ( -8.054 1.987 -17.525) 19.389 27.178 ( 5.072 4.249 19.882) 20.954 28.601 ( -8.331 1.153 -6.199) 10.448 28.821 ( 3.708 3.209 3.350) 5.939 29.273 ( 0.001 -8.335 -0.468) 8.348 29.419 ( 8.515 -5.911 6.794) 12.394 30.202 ( -4.910 -0.583 -6.285) 7.997 30.462 ( 11.616 -0.184 0.421) 11.625 31.000 ( -4.370 -0.486 -13.313) 14.020 31.191 ( 1.115 -3.367 13.301) 13.765 ======================= Grid point 326 (168/186) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -0.557 12.356 -14.632) 19.159 2.896 ( 8.566 0.457 8.981) 12.419 3.588 ( 5.900 -11.317 8.649) 15.417 3.837 ( 11.015 -2.778 -9.839) 15.029 3.890 ( 0.988 -4.090 -0.173) 4.211 4.177 ( -1.082 3.407 -5.354) 6.438 4.206 ( 9.437 -0.881 3.109) 9.975 4.858 ( 18.351 1.259 5.647) 19.241 5.326 ( -2.840 6.973 -8.111) 11.067 5.632 ( 7.025 8.137 11.499) 15.741 5.743 ( 2.611 0.180 -3.982) 4.765 6.016 ( 4.041 -9.040 4.528) 10.888 6.157 ( -1.492 -6.791 -0.928) 7.015 6.467 ( 4.408 1.212 -10.549) 11.498 6.542 ( -3.728 -7.923 -9.305) 12.777 6.814 ( -7.452 -5.126 1.459) 9.162 7.356 ( 2.535 2.363 -6.932) 7.750 7.407 ( -5.659 -13.388 15.192) 21.025 7.632 ( -6.201 -12.952 17.946) 22.984 7.936 ( 7.053 -4.265 -7.843) 11.378 8.367 ( -2.801 -1.978 4.034) 5.294 8.486 ( 12.426 -1.617 -14.159) 18.908 8.766 ( -0.798 -3.244 -11.991) 12.448 8.980 ( 2.843 0.564 -18.946) 19.166 9.041 ( 3.252 -2.186 -6.301) 7.420 9.187 ( -7.943 2.977 17.698) 19.625 9.633 ( -2.749 0.428 32.028) 32.149 9.798 ( 8.764 1.125 -7.640) 11.681 10.090 ( 0.534 -3.751 3.952) 5.475 10.333 ( 5.049 -8.468 1.542) 9.979 11.021 ( -10.699 12.212 -6.522) 17.497 11.176 ( -2.537 7.863 -7.061) 10.869 12.056 ( -0.011 1.739 12.619) 12.738 12.317 ( 13.302 -6.305 -8.333) 16.915 12.693 ( -5.102 2.738 -15.570) 16.612 13.149 ( 1.118 3.965 15.143) 15.693 13.703 ( -2.811 -3.231 -12.367) 13.088 13.937 ( -6.779 -4.863 6.671) 10.682 14.490 ( -0.233 4.871 7.315) 8.792 14.823 ( 6.453 -4.557 3.860) 8.793 15.894 ( -1.777 -0.032 -4.378) 4.725 16.101 ( -1.224 0.109 11.871) 11.934 16.620 ( -12.061 10.627 -6.676) 17.406 16.898 ( -3.730 10.856 3.154) 11.904 19.428 ( -15.548 -5.958 27.038) 31.754 19.744 ( 7.955 3.937 -30.745) 32.001 20.032 ( -0.282 2.741 19.533) 19.726 20.075 ( 13.106 0.634 -14.840) 19.809 26.052 ( -4.053 2.589 4.312) 6.459 26.196 ( -0.103 -0.332 -9.038) 9.045 26.660 ( -1.796 1.859 -13.750) 13.991 27.191 ( -1.887 5.920 15.796) 16.974 28.510 ( -2.332 -1.245 -5.432) 6.041 28.812 ( 1.144 3.438 2.214) 4.247 29.419 ( 2.430 -7.980 1.910) 8.558 29.648 ( 5.855 -8.145 9.215) 13.621 30.164 ( 1.198 -1.629 -5.609) 5.962 30.582 ( 6.111 0.038 0.280) 6.118 30.885 ( -3.771 1.798 -14.500) 15.090 31.323 ( 1.573 -6.098 10.370) 12.133 ======================= Grid point 327 (169/186) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 0.535 8.283 -9.166) 12.365 3.024 ( 5.438 -1.019 5.867) 8.064 3.713 ( -0.556 1.636 7.505) 7.702 3.891 ( 3.144 -0.661 3.336) 4.631 3.991 ( 8.840 -3.128 -17.766) 20.089 4.143 ( -1.619 0.662 7.846) 8.038 4.410 ( 8.766 -7.623 -5.455) 12.834 4.967 ( 0.991 5.581 0.897) 5.739 5.243 ( 3.332 1.352 -0.452) 3.624 5.705 ( 7.794 1.664 9.313) 12.258 5.736 ( 3.956 2.089 -1.552) 4.735 6.121 ( -7.044 0.273 -1.797) 7.275 6.262 ( 8.198 -5.387 -1.310) 9.897 6.405 ( 1.647 1.118 -3.881) 4.362 6.631 ( -0.219 -1.421 7.183) 7.325 6.825 ( -4.583 -13.065 -10.311) 17.263 7.284 ( -3.978 3.185 -0.801) 5.159 7.385 ( -7.029 -0.913 1.000) 7.158 8.035 ( 6.412 -16.871 -3.154) 18.322 8.124 ( 6.345 -16.942 13.818) 22.765 8.348 ( -4.443 0.085 7.216) 8.475 8.565 ( 10.476 4.112 -15.464) 19.126 8.763 ( 0.374 -3.583 -8.127) 8.890 8.919 ( 1.113 3.780 -18.257) 18.677 9.065 ( -1.481 1.480 4.876) 5.307 9.079 ( -5.848 3.158 6.452) 9.263 9.749 ( -0.886 -1.515 24.829) 24.891 9.868 ( 8.471 2.039 -4.808) 9.952 10.206 ( 2.274 -7.897 5.008) 9.624 10.479 ( 0.380 -6.193 0.820) 6.259 10.699 ( -7.445 11.281 -7.031) 15.235 11.009 ( -1.757 7.934 -5.765) 9.963 12.066 ( -0.282 2.787 9.218) 9.634 12.457 ( 2.521 -1.760 -14.159) 14.488 12.607 ( 1.585 -1.817 -1.056) 2.632 13.152 ( 0.774 2.786 6.390) 7.014 13.699 ( 0.457 -3.406 -7.478) 8.230 13.939 ( -6.654 -5.001 3.478) 9.021 14.439 ( -0.172 6.200 9.075) 10.992 14.949 ( 3.636 -2.531 0.542) 4.463 15.884 ( 0.915 -0.939 -0.751) 1.511 16.104 ( -4.559 2.281 9.013) 10.355 16.329 ( -7.278 6.356 -5.093) 10.923 16.724 ( -2.298 7.999 -0.819) 8.363 19.467 ( -12.070 -8.408 28.405) 31.988 19.661 ( 8.544 5.682 -30.844) 32.506 20.057 ( -0.284 2.698 14.320) 14.574 20.137 ( 6.995 0.860 -11.608) 13.580 25.985 ( -2.582 2.396 2.057) 4.079 26.166 ( -0.941 -0.838 -5.291) 5.439 26.598 ( 1.218 1.115 -7.776) 7.950 27.133 ( -3.233 3.402 8.592) 9.790 28.511 ( 0.660 -1.735 -3.082) 3.598 28.785 ( 0.156 2.288 1.296) 2.634 29.534 ( 1.543 -3.419 2.607) 4.568 29.813 ( 0.705 -4.934 4.038) 6.414 30.264 ( 8.815 -4.315 2.433) 10.111 30.610 ( -4.853 -2.039 0.416) 5.280 30.749 ( -0.035 5.541 -12.755) 13.906 31.456 ( 1.920 -4.482 4.962) 6.957 ======================= Grid point 328 (170/186) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.000 -0.000 -0.000) 0.000 3.081 ( 0.000 -0.000 -0.000) 0.000 3.703 ( 0.000 -0.000 -0.000) 0.000 3.913 ( 0.000 -0.000 -0.000) 0.000 4.070 ( -0.000 -0.000 0.000) 0.000 4.130 ( 0.000 -0.000 -0.000) 0.000 4.517 ( 0.000 -0.000 -0.000) 0.000 4.899 ( -0.000 -0.000 -0.000) 0.000 5.266 ( 0.000 -0.000 0.000) 0.000 5.719 ( -0.000 -0.000 -0.000) 0.000 5.887 ( -0.000 -0.000 -0.000) 0.000 5.950 ( 0.000 -0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.402 ( -0.000 -0.000 -0.000) 0.000 6.624 ( 0.000 -0.000 0.000) 0.000 6.914 ( -0.000 -0.000 -0.000) 0.000 7.211 ( -0.000 -0.000 0.000) 0.000 7.344 ( 0.000 -0.000 -0.000) 0.000 8.186 ( -0.000 0.000 0.000) 0.000 8.311 ( 0.000 -0.000 -0.000) 0.000 8.402 ( -0.000 -0.000 -0.000) 0.000 8.630 ( -0.000 0.000 -0.000) 0.000 8.740 ( 0.000 -0.000 0.000) 0.000 8.791 ( -0.000 -0.000 -0.000) 0.000 9.013 ( 0.000 -0.000 -0.000) 0.000 9.071 ( -0.000 -0.000 -0.000) 0.000 9.810 ( 0.000 0.000 -0.000) 0.000 9.894 ( 0.000 -0.000 -0.000) 0.000 10.327 ( 0.000 -0.000 -0.000) 0.000 10.491 ( 0.000 -0.000 -0.000) 0.000 10.565 ( 0.000 -0.000 -0.000) 0.000 10.915 ( 0.000 -0.000 -0.000) 0.000 12.058 ( 0.000 -0.000 0.000) 0.000 12.431 ( -0.000 -0.000 -0.000) 0.000 12.653 ( 0.000 -0.000 -0.000) 0.000 13.151 ( -0.000 -0.000 -0.000) 0.000 13.718 ( 0.000 -0.000 -0.000) 0.000 13.938 ( 0.000 -0.000 -0.000) 0.000 14.409 ( -0.000 -0.000 -0.000) 0.000 14.989 ( -0.000 -0.000 -0.000) 0.000 15.921 ( -0.000 -0.000 -0.000) 0.000 16.019 ( 0.000 -0.000 -0.000) 0.000 16.257 ( -0.000 -0.000 -0.000) 0.000 16.647 ( 0.000 -0.000 -0.000) 0.000 19.555 ( 0.000 0.000 -0.000) 0.000 19.567 ( -0.000 -0.000 0.000) 0.000 20.065 ( 0.000 -0.000 -0.000) 0.000 20.150 ( -0.000 -0.000 0.000) 0.000 25.954 ( 0.000 -0.000 -0.000) 0.000 26.156 ( 0.000 -0.000 -0.000) 0.000 26.584 ( -0.000 -0.000 -0.000) 0.000 27.104 ( 0.000 -0.000 -0.000) 0.000 28.525 ( 0.000 -0.000 -0.000) 0.000 28.771 ( -0.000 -0.000 -0.000) 0.000 29.572 ( -0.000 -0.000 -0.000) 0.000 29.853 ( 0.000 -0.000 -0.000) 0.000 30.442 ( 0.000 -0.000 0.000) 0.000 30.511 ( -0.000 0.000 -0.000) 0.000 30.688 ( 0.000 -0.000 -0.000) 0.000 31.512 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 334 (171/186) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 6.819 0.000 -13.642) 15.251 2.908 ( 6.870 0.000 5.773) 8.974 3.297 ( 19.915 0.000 -1.661) 19.984 3.667 ( 14.941 0.000 1.089) 14.980 3.923 ( 1.129 0.000 0.652) 1.304 4.203 ( 12.493 0.000 2.172) 12.681 4.398 ( -6.943 -0.000 5.357) 8.769 4.872 ( 20.695 0.000 -11.421) 23.638 5.514 ( -2.296 -0.000 -7.440) 7.786 5.518 ( -2.395 -0.000 -6.519) 6.945 5.854 ( 11.287 0.000 8.735) 14.272 5.899 ( 10.352 0.000 7.345) 12.693 6.151 ( 1.081 0.000 -4.700) 4.823 6.182 ( 1.859 0.000 -4.266) 4.654 6.541 ( -1.056 -0.000 -16.939) 16.972 6.756 ( -5.787 -0.000 7.611) 9.562 7.140 ( -6.313 -0.000 26.889) 27.620 7.405 ( 6.362 0.000 -11.472) 13.118 7.528 ( -17.233 -0.000 17.180) 24.334 7.854 ( 5.192 0.000 -3.642) 6.342 8.329 ( -1.361 -0.000 10.523) 10.610 8.489 ( 19.341 0.000 -23.597) 30.511 8.681 ( -4.516 -0.000 -8.599) 9.713 8.950 ( 3.777 0.000 -31.800) 32.024 9.044 ( 5.381 0.000 -4.735) 7.168 9.210 ( -8.780 -0.000 27.591) 28.955 9.660 ( -6.611 -0.000 31.739) 32.420 9.788 ( 6.602 0.000 -11.701) 13.436 10.105 ( 5.729 0.000 6.173) 8.422 10.162 ( 6.861 0.000 0.474) 6.877 11.214 ( -12.152 -0.000 -7.788) 14.433 11.283 ( -4.287 -0.000 -6.043) 7.409 12.098 ( 1.833 0.000 14.603) 14.718 12.210 ( 15.078 0.000 -10.531) 18.392 12.739 ( -5.707 -0.000 -19.603) 20.416 13.221 ( 0.081 0.000 22.601) 22.601 13.642 ( -4.278 -0.000 -15.554) 16.132 13.865 ( -6.335 -0.000 5.600) 8.455 14.580 ( 6.037 0.000 2.241) 6.439 14.732 ( 3.741 0.000 11.707) 12.290 15.889 ( -2.465 -0.000 -7.544) 7.937 16.099 ( -2.834 -0.000 14.469) 14.743 16.777 ( -13.939 -0.000 -10.479) 17.438 17.071 ( -7.447 -0.000 9.530) 12.094 19.331 ( -17.809 -0.000 24.692) 30.444 19.777 ( 3.200 0.000 -29.832) 30.004 20.083 ( -0.995 -0.000 26.254) 26.273 20.117 ( 21.000 0.000 -20.401) 29.278 26.097 ( -2.360 -0.000 4.983) 5.514 26.186 ( -2.245 -0.000 -10.627) 10.862 26.688 ( -1.952 -0.000 -16.894) 17.006 27.286 ( -6.439 -0.000 19.707) 20.732 28.492 ( -4.390 -0.000 -6.084) 7.503 28.876 ( -0.118 -0.000 2.130) 2.134 29.254 ( 6.450 0.000 2.541) 6.933 29.547 ( 11.212 0.000 8.607) 14.134 30.144 ( 0.624 0.000 -7.006) 7.033 30.580 ( 5.045 0.000 -1.872) 5.381 30.940 ( 4.523 0.000 -13.309) 14.056 31.195 ( -3.539 -0.000 12.218) 12.720 ======================= Grid point 335 (172/186) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 13.353 17.069 -12.779) 25.159 3.024 ( 6.270 -0.243 7.527) 9.799 3.656 ( 19.303 -5.333 8.770) 21.862 3.874 ( 12.011 -5.371 -7.613) 15.201 3.922 ( 3.139 1.932 -3.059) 4.791 4.255 ( 1.500 8.503 -6.969) 11.096 4.365 ( 10.498 2.193 3.067) 11.155 5.065 ( 10.234 -0.362 -5.872) 11.804 5.353 ( -1.911 7.226 -6.193) 9.707 5.671 ( 3.641 -16.873 -3.397) 17.593 5.931 ( 11.984 9.965 11.505) 19.372 5.946 ( -0.472 10.323 -4.661) 11.336 6.201 ( 11.701 -5.476 5.200) 13.926 6.374 ( 0.986 -11.187 -7.320) 13.405 6.464 ( 2.770 -1.221 -13.792) 14.120 6.680 ( -10.059 -0.629 5.237) 11.358 7.196 ( -13.044 -6.528 17.615) 22.870 7.410 ( 4.163 1.259 -9.640) 10.575 7.518 ( 1.387 -7.915 23.494) 24.831 7.969 ( 10.015 -2.738 -2.288) 10.631 8.339 ( -4.493 -0.296 12.799) 13.567 8.573 ( 6.397 0.332 -13.007) 14.498 8.664 ( 6.146 -3.885 -20.189) 21.458 8.904 ( 5.073 -2.334 -27.995) 28.547 9.080 ( 3.205 1.421 0.184) 3.511 9.213 ( -3.373 1.380 14.044) 14.510 9.713 ( -6.499 -0.402 37.530) 38.090 9.838 ( 6.330 -1.430 -8.448) 10.652 10.181 ( 7.706 3.367 4.772) 9.669 10.305 ( 5.492 -5.403 1.217) 7.800 10.967 ( -13.137 5.866 -9.607) 17.300 11.182 ( -3.978 3.640 -6.425) 8.388 12.158 ( 1.703 2.794 13.296) 13.693 12.369 ( 10.992 -2.936 -12.867) 17.175 12.589 ( -4.622 -0.206 -14.024) 14.767 13.257 ( -2.460 4.331 14.944) 15.752 13.579 ( -0.754 -4.390 -12.314) 13.095 13.825 ( -5.425 -2.529 5.903) 8.407 14.635 ( 4.587 6.148 9.675) 12.347 14.850 ( 3.973 -3.898 6.291) 8.399 15.844 ( -1.857 -1.340 -4.088) 4.685 16.113 ( -4.024 -0.416 13.033) 13.647 16.503 ( -17.630 4.117 -7.676) 19.665 16.949 ( -9.011 5.813 4.910) 11.794 19.254 ( -14.745 -4.813 24.044) 28.613 19.688 ( 1.347 -1.002 -30.863) 30.909 20.163 ( -0.165 2.568 25.554) 25.683 20.250 ( 16.787 4.254 -20.683) 26.976 26.058 ( -3.862 2.692 -3.233) 5.711 26.132 ( -0.830 -1.821 -1.554) 2.534 26.630 ( 2.924 0.930 -14.981) 15.292 27.194 ( -14.931 1.069 14.829) 21.071 28.462 ( 0.795 -1.228 -4.130) 4.381 28.852 ( -1.744 1.926 1.339) 2.924 29.415 ( 9.247 -3.952 3.968) 10.810 29.729 ( 9.571 -1.203 9.251) 13.366 30.176 ( 6.924 -1.549 -2.729) 7.603 30.561 ( -6.515 -1.201 -1.361) 6.763 30.943 ( 8.486 8.138 -10.933) 16.055 31.258 ( -0.409 -8.704 5.193) 10.144 ======================= Grid point 336 (173/186) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 17.270 22.825 -9.378) 30.119 3.115 ( 3.792 1.226 7.256) 8.278 3.779 ( -2.582 4.157 10.031) 11.161 3.984 ( 9.063 -0.851 -1.111) 9.171 4.023 ( 9.373 2.935 -14.806) 17.767 4.205 ( 6.663 3.800 -2.978) 8.228 4.476 ( 10.868 0.655 -3.275) 11.369 5.026 ( -4.136 5.322 -1.824) 6.983 5.276 ( 1.554 2.005 -6.803) 7.261 5.824 ( 5.035 6.449 -3.114) 8.755 5.922 ( 5.128 -2.951 6.129) 8.519 6.013 ( 1.835 -1.181 8.267) 8.550 6.193 ( -2.862 2.428 -13.711) 14.216 6.526 ( -5.998 -7.915 -6.785) 12.027 6.568 ( 9.290 0.230 -1.526) 9.417 6.664 ( 7.201 -7.746 13.414) 17.082 7.149 ( -12.344 -4.956 10.293) 16.819 7.392 ( 3.991 2.101 -9.513) 10.528 7.906 ( 11.661 -16.043 14.653) 24.659 8.131 ( 9.547 -4.002 1.963) 10.536 8.347 ( -2.858 -0.329 15.289) 15.557 8.639 ( -0.146 -7.575 1.521) 7.728 8.706 ( 12.656 1.745 -26.863) 29.746 8.888 ( 3.995 -0.919 -25.741) 26.065 9.089 ( 1.076 2.367 3.136) 4.074 9.151 ( -3.273 8.496 10.424) 13.840 9.783 ( -7.398 -1.315 29.079) 30.034 9.925 ( 5.513 -2.783 -5.660) 8.377 10.248 ( 6.249 2.247 4.149) 7.830 10.401 ( -0.981 -3.648 -0.301) 3.789 10.715 ( -5.435 5.896 -6.254) 10.169 11.037 ( -3.962 5.639 -7.315) 10.050 12.144 ( -1.179 5.130 2.979) 6.048 12.397 ( 0.412 -2.231 -8.679) 8.971 12.613 ( 4.839 -3.051 -1.785) 5.993 13.179 ( -4.858 3.308 1.685) 6.114 13.621 ( 2.796 -5.266 -11.403) 12.867 13.874 ( 1.182 -4.402 10.422) 11.375 14.590 ( -1.726 10.456 15.166) 18.501 14.954 ( 2.830 -2.433 -0.357) 3.750 15.856 ( 0.161 -3.566 -2.195) 4.190 16.089 ( -7.378 2.101 7.174) 10.503 16.233 ( -11.754 0.116 -1.699) 11.877 16.755 ( -8.014 6.349 -0.592) 10.241 19.277 ( -13.092 -9.533 25.661) 30.344 19.606 ( 1.446 -2.851 -32.345) 32.503 20.200 ( 0.640 5.909 19.184) 20.084 20.268 ( 11.153 7.164 -16.187) 20.923 25.963 ( -3.110 0.590 -5.889) 6.686 26.162 ( 2.102 0.268 3.702) 4.266 26.600 ( 1.719 1.211 -8.594) 8.847 27.061 ( -13.011 -2.677 6.827) 14.935 28.490 ( 1.553 -1.814 -1.988) 3.107 28.803 ( -2.389 1.743 0.788) 3.060 29.561 ( 6.437 -0.605 0.939) 6.533 29.874 ( 7.848 0.808 6.328) 10.114 30.355 ( 12.448 -4.148 7.330) 15.029 30.471 ( -9.654 -1.689 -0.754) 9.829 30.845 ( 1.586 9.037 -6.429) 11.203 31.407 ( 3.374 -7.301 -3.406) 8.734 ======================= Grid point 337 (174/186) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 18.019 21.322 -3.304) 28.111 3.119 ( -0.980 4.732 3.558) 6.001 3.727 ( -0.709 2.835 3.172) 4.313 3.972 ( 2.362 6.457 -2.103) 7.190 4.077 ( 4.793 -1.797 -15.152) 15.994 4.162 ( -2.872 6.631 8.395) 11.077 4.569 ( 8.432 2.788 -6.745) 11.152 4.938 ( 1.058 3.533 3.839) 5.324 5.224 ( -2.209 0.507 -7.902) 8.220 5.801 ( 1.441 6.261 -5.045) 8.169 5.837 ( -9.464 8.763 0.325) 12.902 6.037 ( 6.804 -1.189 7.413) 10.132 6.220 ( -4.855 -6.715 -1.549) 8.430 6.437 ( -8.151 -2.549 -7.343) 11.263 6.668 ( 11.237 3.930 0.344) 11.909 6.976 ( 7.787 -6.240 13.918) 17.126 7.129 ( -4.653 -4.937 6.779) 9.591 7.407 ( 7.470 0.476 -8.176) 11.085 8.186 ( 8.156 -5.182 -5.161) 10.955 8.348 ( 3.207 -1.011 14.325) 14.715 8.397 ( -0.492 -2.385 14.484) 14.687 8.712 ( 3.927 10.707 -20.984) 23.883 8.731 ( -2.140 -6.088 3.202) 7.204 8.824 ( 9.982 2.677 -9.668) 14.152 9.032 ( -0.890 2.503 4.559) 5.277 9.096 ( 1.547 2.699 3.556) 4.725 9.765 ( -9.951 0.157 14.206) 17.346 9.903 ( -1.844 4.861 -11.522) 12.640 10.321 ( 1.243 -2.899 1.899) 3.682 10.454 ( 0.243 -6.290 3.393) 7.151 10.618 ( 1.811 5.032 -1.112) 5.462 10.903 ( -2.126 2.418 -5.966) 6.780 12.061 ( 0.332 2.654 -6.891) 7.392 12.444 ( 1.029 -2.106 8.255) 8.581 12.665 ( 0.782 1.089 -0.334) 1.382 13.088 ( -5.502 -1.349 -6.055) 8.292 13.695 ( 5.665 -3.767 -10.578) 12.576 14.037 ( 9.895 -1.764 9.161) 13.599 14.432 ( -8.957 8.852 12.160) 17.506 14.980 ( -0.691 -0.033 -1.974) 2.092 15.880 ( -3.304 -1.970 -4.319) 5.784 16.006 ( 0.704 -2.039 -0.232) 2.170 16.196 ( -4.784 -4.440 5.165) 8.323 16.608 ( -5.731 0.369 -1.831) 6.028 19.376 ( -12.429 -12.180 28.350) 33.265 19.549 ( 3.385 -3.234 -33.231) 33.559 20.155 ( 5.122 8.970 -5.556) 11.729 20.236 ( 1.580 6.559 6.963) 9.696 25.932 ( 0.892 -1.394 -5.344) 5.594 26.194 ( 1.519 1.326 5.658) 6.007 26.578 ( -1.199 -0.119 1.341) 1.803 27.003 ( -7.231 -5.926 -2.833) 9.769 28.523 ( 0.701 -1.013 0.489) 1.325 28.756 ( -2.700 0.369 -0.241) 2.736 29.612 ( 4.818 2.560 -2.003) 5.812 29.955 ( 7.149 4.187 3.024) 8.820 30.349 ( -9.098 0.942 -1.257) 9.232 30.620 ( 11.840 -3.608 14.651) 19.179 30.711 ( -2.338 5.905 -4.277) 7.657 31.483 ( 0.863 -2.500 -7.718) 8.158 ======================= Grid point 338 (175/186) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 16.542 13.772 4.312) 21.952 2.981 ( -7.313 7.247 -2.555) 10.608 3.709 ( 1.564 1.727 -1.015) 2.541 3.892 ( -0.490 4.986 -5.403) 7.369 4.026 ( -4.829 3.589 12.361) 13.747 4.117 ( 1.071 -0.677 -10.071) 10.151 4.522 ( 1.635 12.672 2.676) 13.054 4.917 ( -0.788 5.846 -6.781) 8.988 5.172 ( -3.342 -2.989 2.142) 4.969 5.537 ( -12.112 3.609 -10.244) 16.268 5.768 ( 0.857 4.384 4.750) 6.521 6.138 ( -9.989 0.778 -5.419) 11.391 6.185 ( 6.013 -3.770 3.958) 8.126 6.399 ( -3.177 -3.550 0.725) 4.819 6.742 ( 10.551 5.584 0.472) 11.947 7.032 ( 0.897 4.748 4.346) 6.499 7.281 ( 4.096 -4.634 13.900) 15.213 7.495 ( 10.126 -1.093 -9.671) 14.045 8.161 ( -5.838 12.990 12.643) 19.044 8.316 ( -7.448 22.548 -13.525) 27.328 8.394 ( 6.429 -0.487 -5.829) 8.692 8.499 ( -0.152 0.738 9.559) 9.588 8.800 ( -1.388 -1.234 12.481) 12.619 8.932 ( 4.445 -1.601 -1.914) 5.098 9.077 ( 3.623 -1.271 4.471) 5.894 9.120 ( 6.541 0.515 -3.311) 7.349 9.657 ( -7.290 1.100 -8.416) 11.188 9.736 ( -10.159 0.856 -4.199) 11.026 10.302 ( 1.263 6.320 -2.799) 7.027 10.515 ( -2.967 1.355 -2.344) 4.016 10.682 ( 7.857 -7.883 6.275) 12.777 10.916 ( -0.185 -7.672 1.211) 7.770 12.040 ( 4.471 1.084 -8.430) 9.604 12.476 ( -6.932 2.832 9.250) 11.901 12.643 ( 2.284 0.548 5.755) 6.216 13.034 ( -4.303 -4.233 -10.036) 11.712 13.770 ( 5.921 0.364 -1.367) 6.087 14.134 ( 5.492 10.314 0.931) 11.722 14.344 ( -0.074 -5.842 4.281) 7.243 14.921 ( -5.428 2.039 -2.063) 6.154 15.867 ( -0.020 -2.256 -1.262) 2.585 16.064 ( -0.051 -3.124 -7.660) 8.273 16.294 ( 3.228 -10.228 7.188) 12.912 16.603 ( -3.303 -8.296 -0.656) 8.954 19.505 ( -11.006 -10.781 26.521) 30.671 19.522 ( 5.950 -3.195 -29.043) 29.818 20.068 ( 5.882 7.285 -14.583) 17.330 20.169 ( -4.674 6.764 14.696) 16.840 25.978 ( 4.811 -2.584 -5.106) 7.477 26.206 ( -1.543 0.643 7.037) 7.233 26.602 ( 0.156 -2.012 9.211) 9.429 27.002 ( -4.358 -7.475 -10.232) 13.401 28.540 ( 0.651 0.397 3.441) 3.524 28.728 ( -2.744 -1.963 -2.156) 4.004 29.606 ( 4.303 5.810 -1.196) 7.328 29.927 ( 1.835 9.284 -5.571) 10.981 30.234 ( -3.274 2.918 4.233) 6.095 30.595 ( -5.715 1.986 -2.334) 6.485 30.853 ( 9.787 -1.127 16.419) 19.148 31.438 ( -2.563 1.663 -11.059) 11.473 ======================= Grid point 339 (176/186) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 14.198 4.031 10.705) 18.233 2.751 ( -11.706 4.205 -8.139) 14.865 3.681 ( 3.174 6.258 -5.101) 8.675 3.791 ( -4.957 3.414 0.011) 6.019 3.989 ( -0.480 5.733 12.241) 13.526 4.104 ( -0.027 -1.324 -12.457) 12.527 4.319 ( -0.529 16.438 14.445) 21.890 4.638 ( -13.722 8.971 -14.895) 22.150 5.271 ( 0.443 -8.259 8.755) 12.044 5.406 ( -5.738 -6.571 -9.855) 13.161 5.773 ( 3.537 1.773 3.489) 5.275 5.965 ( -8.601 3.334 -4.545) 10.283 6.298 ( 6.482 -0.058 -1.511) 6.656 6.414 ( -4.581 -2.495 4.794) 7.085 6.789 ( 9.936 7.992 5.469) 13.875 6.967 ( 0.367 7.077 -0.595) 7.112 7.380 ( 1.103 4.298 14.932) 15.578 7.549 ( 3.020 5.833 -15.023) 16.396 7.858 ( 3.929 19.998 -16.783) 26.402 7.956 ( -8.882 8.059 14.406) 18.745 8.426 ( 2.161 3.179 -1.744) 4.221 8.461 ( -4.779 4.393 6.694) 9.324 8.850 ( 0.584 0.753 12.622) 12.658 8.951 ( -0.777 -0.969 -4.950) 5.103 9.125 ( -2.751 3.452 25.518) 25.897 9.201 ( 10.295 -0.190 -22.210) 24.481 9.530 ( 1.232 -2.099 -22.173) 22.306 9.637 ( -12.211 -5.338 8.023) 15.556 10.222 ( 5.167 9.157 -1.498) 10.621 10.378 ( -5.616 8.116 -1.821) 10.036 10.969 ( 7.612 -14.117 2.902) 16.299 11.069 ( -0.938 -12.233 4.272) 12.991 12.054 ( 6.813 2.727 -9.211) 11.777 12.275 ( -13.147 7.536 5.626) 16.164 12.771 ( 4.854 -3.678 14.886) 16.083 13.000 ( -3.708 -4.566 -14.203) 15.373 13.834 ( 5.052 2.299 9.569) 11.062 14.021 ( -1.014 4.827 -9.641) 10.830 14.489 ( 8.866 -1.270 2.046) 9.187 14.773 ( -9.062 3.850 -3.333) 10.394 15.922 ( 2.606 -2.113 3.362) 4.750 16.042 ( -2.353 -1.769 -8.079) 8.598 16.578 ( 7.173 -15.104 4.851) 17.410 16.725 ( -2.137 -13.824 -1.965) 14.125 19.539 ( 12.416 -1.411 -30.741) 33.184 19.621 ( -12.824 -9.285 30.552) 34.411 19.997 ( 5.246 4.282 -16.517) 17.852 20.051 ( -8.234 6.435 15.423) 18.630 26.069 ( 6.913 -2.329 -5.620) 9.209 26.193 ( -5.200 -0.749 7.662) 9.290 26.722 ( 5.077 -4.010 14.036) 15.455 26.999 ( -5.477 -7.637 -14.960) 17.667 28.577 ( 3.285 -0.409 5.301) 6.250 28.716 ( -3.676 -3.459 -3.833) 6.338 29.549 ( 3.406 9.848 2.565) 10.731 29.712 ( -4.221 12.871 -9.245) 16.399 30.239 ( 5.153 2.185 6.036) 8.232 30.476 ( -9.024 1.010 -1.830) 9.263 31.027 ( 7.504 1.034 16.242) 17.921 31.303 ( -4.306 3.508 -14.059) 15.116 ======================= Grid point 340 (177/186) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -11.286 -2.804 -13.691) 17.963 2.540 ( 11.286 -2.804 13.691) 17.963 3.583 ( 5.686 15.185 -5.609) 17.158 3.583 ( -5.686 15.185 5.609) 17.158 3.971 ( 4.699 3.999 -4.381) 7.568 3.971 ( -4.699 3.999 4.381) 7.568 4.383 ( -2.507 -4.181 -15.171) 15.935 4.383 ( 2.507 -4.181 15.171) 15.935 5.442 ( -1.410 -8.944 -9.672) 13.249 5.442 ( 1.410 -8.944 9.672) 13.249 5.810 ( -2.760 3.649 -6.523) 7.967 5.810 ( 2.760 3.649 6.523) 7.967 6.340 ( 4.210 5.748 -2.976) 7.721 6.340 ( -4.210 5.748 2.976) 7.721 6.803 ( -4.262 9.006 -13.783) 17.007 6.803 ( 4.262 9.006 13.783) 17.007 7.325 ( 3.949 8.226 -18.321) 20.467 7.325 ( -3.949 8.226 18.321) 20.467 7.832 ( 11.119 1.361 -13.740) 17.727 7.832 ( -11.119 1.361 13.740) 17.727 8.358 ( 4.028 6.119 -11.671) 13.779 8.358 ( -4.028 6.119 11.671) 13.779 8.899 ( -3.724 0.956 -5.798) 6.957 8.899 ( 3.724 0.956 5.798) 6.957 9.156 ( 6.250 1.598 -37.448) 38.000 9.156 ( -6.250 1.598 37.448) 38.000 9.615 ( 9.255 -5.488 -12.376) 16.399 9.615 ( -9.255 -5.488 12.376) 16.399 10.168 ( -0.601 8.909 -6.100) 10.814 10.168 ( 0.601 8.909 6.100) 10.814 11.230 ( 2.388 -11.901 -2.517) 12.396 11.230 ( -2.388 -11.901 2.517) 12.396 12.065 ( 8.555 4.589 -10.563) 14.347 12.065 ( -8.555 4.589 10.563) 14.347 12.947 ( -2.588 -3.827 -19.869) 20.399 12.947 ( 2.588 -3.827 19.869) 20.399 13.903 ( -1.512 2.426 -15.661) 15.920 13.903 ( 1.512 2.426 15.661) 15.920 14.595 ( -2.543 2.624 -9.642) 10.311 14.595 ( 2.543 2.624 9.642) 10.311 16.001 ( -0.017 -1.183 -12.048) 12.106 16.001 ( 0.017 -1.183 12.048) 12.106 16.872 ( -2.514 -13.091 -7.302) 15.199 16.872 ( 2.514 -13.091 7.302) 15.199 19.642 ( 18.112 -2.856 -30.208) 35.337 19.642 ( -18.112 -2.856 30.208) 35.337 19.950 ( 6.868 2.483 -23.740) 24.838 19.950 ( -6.868 2.483 23.740) 24.838 26.159 ( 6.757 -1.329 -7.072) 9.871 26.159 ( -6.757 -1.329 7.072) 9.871 26.940 ( -7.523 -5.432 -18.231) 20.457 26.940 ( 7.523 -5.432 18.231) 20.457 28.686 ( -6.079 -3.248 -5.168) 8.615 28.686 ( 6.079 -3.248 5.168) 8.615 29.453 ( -3.457 11.785 -6.073) 13.701 29.453 ( 3.457 11.785 6.073) 13.701 30.328 ( -8.256 1.215 -4.411) 9.439 30.328 ( 8.256 1.215 4.411) 9.439 31.141 ( -4.693 2.763 -15.150) 16.099 31.141 ( 4.693 2.763 15.150) 16.099 ======================= Grid point 344 (178/186) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 15.749 0.000 -9.972) 18.641 3.121 ( 4.840 0.000 8.144) 9.473 3.854 ( -4.008 -0.000 15.674) 16.178 3.940 ( 9.280 0.000 -10.674) 14.144 4.074 ( 31.104 0.000 -8.875) 32.345 4.313 ( 3.547 0.000 -10.720) 11.292 4.536 ( 12.708 0.000 -2.281) 12.911 5.066 ( -3.621 -0.000 -5.546) 6.624 5.439 ( 0.299 0.000 -6.452) 6.459 5.531 ( 8.520 0.000 -2.909) 9.003 6.079 ( -3.873 -0.000 5.500) 6.727 6.140 ( 2.712 0.000 -7.712) 8.175 6.262 ( 3.478 0.000 6.054) 6.982 6.303 ( 3.463 0.000 -15.056) 15.449 6.469 ( 14.400 0.000 1.033) 14.437 6.601 ( -3.073 -0.000 11.909) 12.299 7.050 ( -12.519 -0.000 14.145) 18.889 7.425 ( 3.720 0.000 -8.862) 9.611 7.674 ( 15.118 0.000 25.320) 29.490 8.094 ( 11.944 0.000 -0.100) 11.945 8.340 ( -4.615 -0.000 17.878) 18.464 8.510 ( -4.320 -0.000 -1.539) 4.585 8.705 ( 14.429 0.000 -28.888) 32.291 8.845 ( 5.386 0.000 -28.331) 28.838 9.155 ( 6.740 0.000 -2.027) 7.038 9.240 ( -1.377 -0.000 11.194) 11.279 9.755 ( -10.069 -0.000 38.399) 39.697 9.883 ( 7.374 0.000 -8.881) 11.543 10.333 ( 6.236 0.000 3.920) 7.365 10.339 ( 5.819 0.000 0.653) 5.856 10.795 ( -11.856 -0.000 -9.617) 15.266 11.130 ( -4.783 -0.000 -5.377) 7.196 12.258 ( 1.517 0.000 14.152) 14.233 12.347 ( -3.097 -0.000 -20.334) 20.569 12.533 ( 6.527 0.000 -7.716) 10.106 13.299 ( -7.569 -0.000 13.433) 15.419 13.488 ( 2.994 0.000 -15.975) 16.253 13.796 ( -1.167 -0.000 10.779) 10.842 14.815 ( 9.077 0.000 4.428) 10.099 14.866 ( -0.940 -0.000 10.523) 10.565 15.787 ( -3.141 -0.000 -2.384) 3.943 16.100 ( -4.912 -0.000 11.392) 12.406 16.260 ( -18.930 -0.000 -5.976) 19.851 16.871 ( -12.138 -0.000 3.845) 12.732 19.134 ( -13.172 -0.000 22.610) 26.167 19.547 ( -1.610 -0.000 -32.417) 32.457 20.284 ( 0.268 0.000 24.876) 24.878 20.397 ( 13.977 0.000 -21.302) 25.478 25.974 ( -4.590 -0.000 -9.620) 10.659 26.165 ( 3.169 0.000 7.316) 7.973 26.629 ( 5.023 0.000 -16.573) 17.318 27.008 ( -21.320 -0.000 13.106) 25.027 28.461 ( 2.140 0.000 -2.615) 3.379 28.833 ( -3.581 -0.000 0.855) 3.682 29.550 ( 11.756 0.000 1.448) 11.845 29.882 ( 8.731 0.000 9.962) 13.247 30.291 ( 13.104 0.000 4.698) 13.921 30.444 ( -9.099 -0.000 0.214) 9.101 31.101 ( -9.648 -0.000 7.260) 12.074 31.174 ( 17.175 0.000 -18.176) 25.007 ======================= Grid point 345 (179/186) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 17.042 14.227 -7.346) 23.384 3.200 ( 2.530 0.801 8.039) 8.466 3.800 ( -6.180 1.562 8.740) 10.817 3.995 ( 5.349 -2.213 -16.222) 17.224 4.221 ( 4.559 9.086 -3.247) 10.671 4.436 ( 20.771 9.162 -8.038) 24.083 4.635 ( 12.329 1.905 -7.254) 14.431 5.003 ( -4.150 -0.244 6.692) 7.879 5.341 ( 2.528 8.194 -8.144) 11.826 5.764 ( 5.483 -14.193 -5.243) 16.093 5.972 ( 2.255 3.596 0.532) 4.278 6.095 ( -12.995 6.348 -3.939) 14.989 6.194 ( -1.164 1.660 2.262) 3.037 6.287 ( -4.269 -5.500 -12.195) 14.043 6.688 ( 13.251 -1.700 8.554) 15.864 6.788 ( 11.602 -3.536 14.188) 18.666 7.003 ( -6.363 -3.550 10.698) 12.943 7.434 ( 4.571 1.435 -7.771) 9.129 8.023 ( 17.442 -3.942 12.223) 21.660 8.236 ( 9.580 -1.537 2.654) 10.059 8.373 ( -1.376 -2.375 14.439) 14.698 8.538 ( -0.006 -4.435 11.817) 12.622 8.790 ( 13.554 -1.956 -22.746) 26.550 8.804 ( 5.235 -1.255 -29.867) 30.348 9.190 ( 3.855 5.064 2.651) 6.894 9.264 ( 1.607 3.462 5.148) 6.408 9.760 ( -12.346 -0.763 31.398) 33.747 9.942 ( 5.677 -0.752 -8.006) 9.844 10.327 ( -4.565 3.782 -0.953) 6.005 10.391 ( 2.155 0.645 0.882) 2.416 10.685 ( -0.336 -0.472 -4.302) 4.341 11.019 ( -4.901 3.591 -5.500) 8.196 12.176 ( -2.054 4.607 -11.206) 12.289 12.360 ( 0.686 -3.455 8.112) 8.844 12.626 ( 6.557 -2.845 -5.597) 9.079 13.160 ( -9.707 5.975 2.938) 11.771 13.547 ( 6.966 -6.123 -15.148) 17.761 13.887 ( 1.935 -4.917 15.682) 16.549 14.779 ( -3.118 11.077 12.290) 16.836 14.958 ( 2.998 -1.657 -0.688) 3.494 15.752 ( -5.664 -4.906 -3.753) 8.381 16.034 ( -7.946 2.092 1.604) 8.372 16.097 ( -6.060 -2.315 6.876) 9.453 16.691 ( -12.513 3.336 -0.381) 12.956 19.106 ( -12.063 -5.813 24.172) 27.633 19.419 ( -1.480 -3.833 -33.640) 33.890 20.354 ( -0.535 3.722 22.876) 23.183 20.432 ( 11.123 5.424 -21.086) 24.449 25.908 ( -0.317 -0.391 -7.933) 7.949 26.230 ( 2.423 0.904 7.840) 8.255 26.606 ( 1.506 2.098 -10.095) 10.420 26.832 ( -16.231 -5.350 6.251) 18.197 28.488 ( 2.233 -0.884 -1.344) 2.752 28.780 ( -4.206 0.747 0.478) 4.299 29.671 ( 8.965 1.338 -2.977) 9.541 30.011 ( 6.109 0.299 7.509) 9.684 30.346 ( -7.400 -0.320 2.959) 7.976 30.537 ( 16.149 -1.895 14.147) 21.553 30.928 ( -6.963 7.652 -0.287) 10.350 31.348 ( 9.412 -5.771 -15.867) 19.330 ======================= Grid point 346 (180/186) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 17.134 20.317 -4.476) 26.952 3.196 ( -1.733 5.754 5.487) 8.138 3.764 ( -1.823 0.843 8.054) 8.300 4.007 ( 1.710 -3.282 -19.588) 19.935 4.114 ( 1.931 10.098 -1.661) 10.414 4.294 ( -3.802 14.543 0.703) 15.048 4.783 ( 19.411 7.121 -9.623) 22.806 5.026 ( 1.869 1.060 11.673) 11.869 5.230 ( 1.925 6.749 -8.776) 11.237 5.760 ( -13.327 8.522 -6.604) 17.142 5.957 ( 4.142 2.603 1.422) 5.095 6.046 ( 0.847 -6.741 -1.241) 6.906 6.120 ( -5.361 0.614 5.431) 7.656 6.243 ( -5.326 -4.847 -10.328) 12.590 6.882 ( 11.358 2.904 2.887) 12.073 7.008 ( 2.727 -4.939 10.764) 12.153 7.077 ( 3.644 -6.428 14.165) 15.977 7.451 ( 4.729 -0.610 -8.338) 9.605 8.216 ( 7.871 -3.042 -3.581) 9.167 8.390 ( 1.284 -2.886 9.883) 10.376 8.486 ( 1.448 -2.728 8.566) 9.106 8.627 ( 1.266 -0.176 -7.064) 7.179 8.849 ( 13.432 0.077 1.211) 13.487 8.918 ( 12.986 -1.916 -15.611) 20.396 9.123 ( -2.160 8.995 7.453) 11.879 9.231 ( 6.140 7.413 1.729) 9.780 9.692 ( -13.571 1.295 19.108) 23.472 9.893 ( -4.449 7.096 -12.009) 14.642 10.270 ( -1.949 -4.962 1.897) 5.659 10.377 ( -3.569 -2.217 -1.338) 4.409 10.695 ( 2.895 1.564 -0.926) 3.418 10.895 ( -2.432 3.530 -5.016) 6.598 12.108 ( 5.774 3.066 -7.174) 9.706 12.445 ( -1.266 -3.235 10.327) 10.896 12.695 ( 2.948 0.237 -2.246) 3.714 12.973 ( -8.457 2.214 -4.561) 9.860 13.688 ( 11.643 -5.680 -15.739) 20.385 14.090 ( 2.006 -10.307 16.186) 19.293 14.553 ( -7.296 16.238 10.438) 20.636 14.949 ( -3.976 0.437 -2.959) 4.975 15.761 ( -1.319 -5.710 -5.668) 8.153 15.987 ( -1.211 -0.427 1.527) 1.995 16.108 ( -2.648 -4.023 7.767) 9.139 16.503 ( -10.099 0.441 -3.387) 10.661 19.176 ( -11.117 -10.405 27.828) 31.722 19.359 ( 1.111 -7.266 -33.976) 34.762 20.336 ( 2.151 8.731 5.904) 10.757 20.382 ( 4.433 7.771 -5.286) 10.391 25.920 ( 4.648 -1.467 -6.538) 8.155 26.241 ( -2.608 1.788 6.365) 7.107 26.564 ( -2.419 -0.325 5.618) 6.126 26.789 ( -6.410 -7.582 -6.870) 12.073 28.526 ( 2.071 -0.911 0.158) 2.268 28.716 ( -4.294 0.566 -0.177) 4.335 29.731 ( 8.119 3.054 -3.809) 9.473 30.066 ( -0.479 0.816 1.649) 1.901 30.300 ( -0.686 1.891 6.922) 7.209 30.729 ( -6.586 6.444 -3.998) 10.044 30.819 ( 13.443 -0.700 18.780) 23.106 31.419 ( 2.500 -2.469 -16.013) 16.394 ======================= Grid point 347 (181/186) ======================= q-point: (-0.38 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 16.284 19.350 -0.733) 25.301 3.016 ( -8.798 12.404 1.095) 15.246 3.782 ( 2.353 2.368 7.192) 7.929 3.940 ( -3.062 4.918 -11.171) 12.584 4.026 ( 3.226 1.925 -5.987) 7.069 4.104 ( -5.741 4.555 6.272) 9.646 4.816 ( 14.431 14.380 -5.685) 21.151 5.070 ( 1.166 15.068 -4.061) 15.649 5.114 ( -0.715 -2.436 9.112) 9.459 5.422 ( -13.728 8.511 -8.211) 18.119 5.889 ( 0.866 7.461 6.485) 9.924 6.028 ( -5.282 1.422 -7.006) 8.888 6.188 ( 2.537 -6.243 2.665) 7.247 6.266 ( -2.958 -8.208 -2.341) 9.033 6.949 ( 7.585 4.706 2.562) 9.286 7.054 ( -0.910 0.306 0.719) 1.200 7.331 ( 5.403 -7.583 17.740) 20.035 7.503 ( 3.305 -4.394 -12.167) 13.352 8.315 ( 3.496 3.023 1.333) 4.810 8.395 ( -2.377 5.993 -1.962) 6.739 8.480 ( -1.996 5.750 11.346) 12.875 8.550 ( -0.467 2.729 -12.492) 12.796 8.921 ( 5.566 10.237 10.347) 15.584 8.980 ( 5.437 3.933 -8.921) 11.163 9.153 ( 5.784 -1.655 18.616) 19.564 9.251 ( 12.111 4.640 -8.331) 15.415 9.545 ( -13.912 2.272 9.088) 16.772 9.604 ( -12.252 6.011 -15.226) 20.447 10.337 ( 1.522 -3.621 -0.239) 3.935 10.421 ( -2.735 -7.316 -1.922) 8.044 10.723 ( 4.146 -0.553 3.151) 5.236 10.835 ( -1.966 -1.414 -2.627) 3.573 12.156 ( 11.275 3.840 -3.979) 12.558 12.435 ( -9.630 2.207 5.218) 11.173 12.710 ( 3.077 0.325 6.413) 7.120 12.877 ( -4.805 -3.403 -9.270) 10.982 13.853 ( 13.401 -2.114 -11.489) 17.778 14.162 ( -16.820 0.923 12.107) 20.745 14.455 ( 15.241 2.585 5.739) 16.489 14.836 ( -10.012 0.930 -3.467) 10.637 15.828 ( 3.427 -4.140 -2.106) 5.772 15.965 ( -4.951 -2.664 -2.665) 6.222 16.235 ( 4.240 -8.220 6.813) 11.488 16.424 ( -6.814 -6.508 -3.316) 9.989 19.316 ( -10.192 -11.780 31.156) 34.834 19.377 ( 5.223 -8.829 -33.739) 35.264 20.236 ( 6.317 10.881 -10.977) 16.698 20.282 ( -3.752 9.296 11.155) 14.998 26.005 ( 8.170 -2.056 -5.958) 10.319 26.182 ( -7.359 0.160 6.109) 9.565 26.618 ( 1.173 -3.234 12.042) 12.523 26.791 ( -4.235 -7.128 -12.131) 14.693 28.566 ( 2.122 -0.523 2.226) 3.119 28.660 ( -3.670 -0.509 -1.840) 4.137 29.768 ( 8.135 5.297 -1.052) 9.764 29.977 ( -6.530 4.698 -2.984) 8.580 30.326 ( 5.506 3.832 7.757) 10.255 30.548 ( -6.878 4.623 -4.787) 9.571 31.044 ( 9.772 0.351 18.697) 21.100 31.358 ( -3.578 0.542 -16.396) 16.790 ======================= Grid point 348 (182/186) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -12.326 12.764 -5.786) 18.663 2.676 ( 12.326 12.764 5.786) 18.663 3.793 ( -2.006 4.814 -6.801) 8.571 3.793 ( 2.006 4.814 6.801) 8.571 4.052 ( 4.300 -1.047 -18.791) 19.305 4.052 ( -4.300 -1.047 18.791) 19.305 4.699 ( -1.876 22.296 -17.874) 28.638 4.699 ( 1.876 22.296 17.874) 28.638 5.232 ( -1.926 -3.871 -12.160) 12.905 5.232 ( 1.926 -3.871 12.160) 12.905 5.891 ( -3.719 3.101 -7.708) 9.103 5.891 ( 3.719 3.101 7.708) 9.103 6.317 ( 0.529 -5.228 -5.076) 7.306 6.317 ( -0.529 -5.228 5.076) 7.306 6.985 ( -2.488 3.622 -4.919) 6.596 6.985 ( 2.488 3.622 4.919) 6.596 7.518 ( 0.156 -2.264 -19.570) 19.701 7.518 ( -0.156 -2.264 19.570) 19.701 8.136 ( 3.849 21.245 -16.459) 27.149 8.136 ( -3.849 21.245 16.459) 27.149 8.486 ( 0.965 1.722 -3.600) 4.106 8.486 ( -0.965 1.722 3.600) 4.106 8.919 ( 0.043 2.087 -12.178) 12.355 8.919 ( -0.043 2.087 12.178) 12.355 9.248 ( 5.758 4.661 -29.608) 30.521 9.248 ( -5.758 4.661 29.608) 30.521 9.460 ( 7.936 -4.140 -11.561) 14.621 9.460 ( -7.936 -4.140 11.561) 14.621 10.388 ( -2.449 3.697 -3.445) 5.616 10.388 ( 2.449 3.697 3.445) 5.616 10.873 ( -4.275 -10.533 -0.949) 11.407 10.873 ( 4.275 -10.533 0.949) 11.407 12.226 ( -2.803 6.204 -0.175) 6.810 12.226 ( 2.803 6.204 0.175) 6.810 12.831 ( -1.929 -3.984 -16.051) 16.651 12.831 ( 1.929 -3.984 16.051) 16.651 13.976 ( 4.241 2.529 -19.305) 19.927 13.976 ( -4.241 2.529 19.305) 19.927 14.655 ( -8.617 1.025 -8.328) 12.027 14.655 ( 8.617 1.025 8.328) 12.027 15.937 ( 0.273 -3.572 -8.998) 9.684 15.937 ( -0.273 -3.572 8.998) 9.684 16.471 ( -4.101 -12.912 -5.248) 14.528 16.471 ( 4.101 -12.912 5.248) 14.528 19.467 ( 9.982 -9.298 -33.015) 35.723 19.467 ( -9.982 -9.298 33.015) 35.723 20.127 ( 8.870 9.603 -22.987) 26.444 20.127 ( -8.870 9.603 22.987) 26.444 26.115 ( 7.653 -1.575 -6.505) 10.167 26.115 ( -7.653 -1.575 6.505) 10.167 26.773 ( -3.279 -6.020 -16.239) 17.626 26.773 ( 3.279 -6.020 16.239) 17.626 28.621 ( -2.783 -1.343 -4.330) 5.320 28.621 ( 2.783 -1.343 4.330) 5.320 29.771 ( -6.552 9.374 -4.717) 12.371 29.771 ( 6.552 9.374 4.717) 12.371 30.385 ( -7.473 3.150 -5.126) 9.594 30.385 ( 7.473 3.150 5.126) 9.594 31.206 ( -6.117 1.590 -17.825) 18.912 31.206 ( 6.117 1.590 17.825) 18.912 ======================= Grid point 354 (183/186) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( 13.331 0.000 -6.081) 14.652 3.262 ( 0.929 0.000 8.687) 8.737 3.765 ( -5.298 -0.000 9.552) 10.923 3.950 ( 1.476 0.000 -19.593) 19.648 4.311 ( 4.501 0.000 -9.576) 10.580 4.610 ( -5.861 -0.000 -6.914) 9.064 4.883 ( 28.302 0.000 -4.320) 28.630 5.046 ( 4.113 0.000 14.540) 15.110 5.426 ( 1.993 0.000 -6.602) 6.896 5.702 ( 6.208 0.000 -8.229) 10.308 5.937 ( -7.015 -0.000 -0.189) 7.017 5.937 ( -14.200 -0.000 -0.401) 14.206 6.184 ( 1.320 0.000 -13.956) 14.018 6.190 ( -3.181 -0.000 4.872) 5.818 6.916 ( 10.987 0.000 5.002) 12.072 6.920 ( 8.419 0.000 18.438) 20.269 6.987 ( 1.279 0.000 8.225) 8.323 7.468 ( 2.367 0.000 -7.122) 7.505 8.235 ( 6.803 0.000 11.334) 13.219 8.291 ( 2.658 0.000 -1.447) 3.026 8.349 ( 0.559 0.000 4.916) 4.948 8.700 ( 1.581 0.000 -25.576) 25.625 8.739 ( 18.192 0.000 28.457) 33.775 8.896 ( 17.826 0.000 -26.167) 31.662 9.283 ( -1.289 -0.000 9.143) 9.233 9.343 ( 9.747 0.000 -7.546) 12.327 9.704 ( -15.610 -0.000 31.673) 35.311 9.968 ( 3.824 0.000 -7.275) 8.219 10.264 ( -10.020 -0.000 -1.747) 10.171 10.385 ( -2.979 -0.000 -3.227) 4.392 10.688 ( 3.639 0.000 -3.147) 4.811 10.964 ( -4.951 -0.000 -3.312) 5.957 12.165 ( 4.503 0.000 -11.777) 12.608 12.377 ( -1.426 -0.000 12.755) 12.834 12.669 ( 7.222 0.000 -6.945) 10.019 13.083 ( -12.759 -0.000 5.091) 13.737 13.553 ( 12.759 0.000 -18.595) 22.551 13.913 ( -2.193 -0.000 17.695) 17.831 14.836 ( -6.572 -0.000 7.976) 10.335 14.953 ( -4.247 -0.000 -4.132) 5.925 15.642 ( 0.950 0.000 -2.454) 2.631 16.011 ( -0.313 -0.000 5.833) 5.841 16.043 ( -5.097 -0.000 5.695) 7.643 16.533 ( -14.496 -0.000 -2.500) 14.710 19.018 ( -10.353 -0.000 24.744) 26.822 19.237 ( -0.854 -0.000 -33.589) 33.600 20.456 ( -2.026 -0.000 22.907) 22.997 20.515 ( 9.422 0.000 -22.231) 24.145 25.900 ( 4.526 0.000 -7.377) 8.655 26.275 ( -3.017 -0.000 8.075) 8.620 26.611 ( -14.251 -0.000 13.271) 19.473 26.618 ( 4.112 0.000 -16.484) 16.989 28.512 ( 3.095 0.000 -0.817) 3.201 28.728 ( -4.843 -0.000 0.264) 4.851 29.772 ( 8.256 0.000 -5.716) 10.041 30.058 ( -2.750 -0.000 4.587) 5.348 30.328 ( 1.611 0.000 7.811) 7.975 30.784 ( 9.247 0.000 12.860) 15.840 30.873 ( -5.283 -0.000 7.927) 9.526 31.364 ( 9.279 0.000 -22.614) 24.444 ======================= Grid point 355 (184/186) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 10.411 9.745 -4.601) 14.984 3.266 ( -2.380 4.310 6.255) 7.960 3.771 ( -2.050 -1.542 13.100) 13.349 3.893 ( -0.188 -2.408 -20.058) 20.203 4.274 ( 4.716 8.569 -6.123) 11.540 4.412 ( -7.646 11.188 -0.633) 13.565 5.117 ( 18.428 6.796 -6.187) 20.593 5.140 ( 3.952 4.462 13.964) 15.183 5.350 ( 3.876 7.126 -6.793) 10.580 5.644 ( -15.323 3.324 -1.894) 15.793 5.907 ( 4.094 -10.191 -4.427) 11.841 5.950 ( -2.362 -8.720 -0.508) 9.049 6.123 ( -5.333 5.701 9.145) 12.024 6.146 ( 0.252 1.075 -10.803) 10.859 7.025 ( 5.822 0.164 0.788) 5.877 7.034 ( 2.281 -0.290 5.038) 5.538 7.142 ( 7.908 -3.943 17.469) 19.576 7.427 ( -2.867 -0.388 -9.613) 10.039 8.261 ( 3.818 -0.218 -1.163) 3.997 8.350 ( -3.928 -4.557 0.867) 6.079 8.453 ( 1.664 -3.303 17.190) 17.584 8.619 ( 1.758 0.400 -22.886) 22.956 9.019 ( 15.617 0.228 -21.384) 26.481 9.085 ( 9.045 -1.969 21.098) 23.040 9.287 ( 10.020 7.903 9.343) 15.816 9.409 ( 9.175 3.791 -6.881) 12.079 9.613 ( -14.182 1.316 22.330) 26.486 9.895 ( -8.991 9.095 -9.232) 15.773 10.156 ( -3.922 -5.312 0.991) 6.677 10.288 ( -6.494 0.427 -5.398) 8.455 10.742 ( 5.140 -0.168 -1.468) 5.348 10.879 ( -4.450 1.814 -1.822) 5.140 12.222 ( 10.525 0.869 -5.519) 11.916 12.402 ( -5.208 -2.331 8.999) 10.655 12.735 ( 6.469 0.258 -5.914) 8.769 12.907 ( -10.213 4.436 2.698) 11.457 13.714 ( 16.542 -5.928 -18.571) 25.567 13.970 ( -10.172 -7.640 18.834) 22.728 14.705 ( -2.917 9.129 4.696) 10.672 14.847 ( -8.782 -0.498 -4.055) 9.685 15.740 ( 10.005 -1.626 -2.756) 10.505 15.967 ( -6.347 2.046 3.203) 7.398 16.089 ( 2.848 -3.225 8.560) 9.581 16.342 ( -11.781 -0.676 -5.932) 13.208 19.046 ( -8.327 -6.081 28.038) 29.874 19.151 ( 2.212 -5.544 -32.591) 33.133 20.474 ( -3.025 4.797 18.784) 19.622 20.499 ( 6.687 5.059 -18.666) 20.463 25.965 ( 9.057 -0.765 -6.703) 11.294 26.199 ( -10.898 0.722 6.476) 12.698 26.558 ( -2.796 -0.887 12.803) 13.135 26.629 ( 0.699 -3.881 -13.481) 14.046 28.555 ( 3.642 -0.179 -0.155) 3.650 28.664 ( -4.756 0.310 0.012) 4.766 29.845 ( 8.152 0.924 -5.388) 9.815 30.009 ( -7.196 -0.485 3.462) 8.000 30.410 ( 6.805 1.706 8.144) 10.748 30.676 ( -9.542 3.072 -4.137) 10.844 31.060 ( 10.263 0.691 22.859) 25.067 31.354 ( 1.679 -0.397 -22.430) 22.496 ======================= Grid point 356 (185/186) ======================= q-point: (-0.38 -0.62 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 5.394 13.283 -2.303) 14.521 3.092 ( -5.394 13.283 2.303) 14.521 3.852 ( -1.126 -2.238 -15.318) 15.521 3.852 ( 1.126 -2.238 15.318) 15.521 4.169 ( 4.741 11.507 -14.100) 18.807 4.169 ( -4.741 11.507 14.100) 18.807 5.110 ( 6.996 7.307 -15.935) 18.875 5.110 ( -6.996 7.307 15.935) 18.875 5.353 ( -8.611 9.340 -8.221) 15.132 5.353 ( 8.611 9.340 8.221) 15.132 6.009 ( 3.150 3.333 -11.023) 11.939 6.009 ( -3.150 3.333 11.023) 11.939 6.108 ( 1.515 -7.645 -6.241) 9.984 6.108 ( -1.515 -7.645 6.241) 9.984 7.053 ( 1.250 1.188 -4.769) 5.071 7.053 ( -1.250 1.188 4.769) 5.071 7.365 ( -3.410 -5.488 -16.995) 18.182 7.365 ( 3.410 -5.488 16.995) 18.182 8.352 ( 2.740 -3.843 -1.658) 5.002 8.352 ( -2.740 -3.843 1.658) 5.002 8.544 ( 2.658 1.354 -21.505) 21.711 8.544 ( -2.658 1.354 21.505) 21.711 9.081 ( 8.624 4.409 -13.604) 16.699 9.081 ( -8.624 4.409 13.604) 16.699 9.430 ( 6.723 2.328 -11.412) 13.448 9.430 ( -6.723 2.328 11.412) 13.448 9.490 ( -9.117 13.409 -13.999) 21.422 9.490 ( 9.117 13.409 13.999) 21.422 10.266 ( -2.065 -7.908 -2.964) 8.694 10.266 ( 2.065 -7.908 2.964) 8.694 10.793 ( -2.545 1.507 -3.495) 4.579 10.793 ( 2.545 1.507 3.495) 4.579 12.338 ( -1.979 0.954 -1.262) 2.534 12.338 ( 1.979 0.954 1.262) 2.534 12.777 ( 1.753 0.962 -10.264) 10.457 12.777 ( -1.753 0.962 10.264) 10.457 13.954 ( 16.593 -5.687 -19.429) 26.175 13.954 ( -16.593 -5.687 19.429) 26.175 14.691 ( -7.169 2.995 -7.881) 11.067 14.691 ( 7.169 2.995 7.881) 11.067 15.861 ( -2.486 -0.486 -2.577) 3.614 15.861 ( 2.486 -0.486 2.577) 3.614 16.239 ( -2.939 -4.714 -11.007) 12.330 16.239 ( 2.939 -4.714 11.007) 12.330 19.185 ( 6.409 -9.654 -32.046) 34.076 19.185 ( -6.409 -9.654 32.046) 34.076 20.402 ( 6.994 8.698 -22.539) 25.151 20.402 ( -6.994 8.698 22.539) 25.151 26.082 ( 9.823 -0.785 -6.280) 11.685 26.082 ( -9.823 -0.785 6.280) 11.685 26.631 ( 0.599 -3.948 -15.637) 16.139 26.631 ( -0.599 -3.948 15.637) 16.139 28.605 ( -1.955 -0.037 -2.349) 3.056 28.605 ( 1.955 -0.037 2.349) 3.056 29.917 ( -0.244 1.670 -2.601) 3.101 29.917 ( 0.244 1.670 2.601) 3.101 30.495 ( -7.576 3.945 -6.851) 10.950 30.495 ( 7.576 3.945 6.851) 10.950 31.236 ( -4.829 0.835 -22.176) 22.711 31.236 ( 4.829 0.835 22.176) 22.711 ======================= Grid point 365 (186/186) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 4.799 0.000 -6.265) 7.892 3.284 ( -4.799 -0.000 6.265) 7.892 3.800 ( 0.713 0.000 -18.077) 18.091 3.800 ( -0.713 -0.000 18.077) 18.091 4.397 ( 8.430 0.000 -7.064) 10.999 4.397 ( -8.430 -0.000 7.064) 10.999 5.278 ( -0.856 -0.000 -11.633) 11.665 5.278 ( 0.856 0.000 11.633) 11.665 5.474 ( -13.502 -0.000 1.258) 13.561 5.474 ( 13.502 0.000 -1.258) 13.561 5.846 ( 2.888 0.000 -7.285) 7.837 5.846 ( -2.888 -0.000 7.285) 7.837 6.147 ( 3.993 0.000 -12.181) 12.819 6.147 ( -3.993 -0.000 12.181) 12.819 7.060 ( 0.527 0.000 -2.236) 2.298 7.060 ( -0.527 -0.000 2.236) 2.298 7.294 ( -8.851 -0.000 -14.087) 16.636 7.294 ( 8.851 0.000 14.087) 16.636 8.285 ( 0.537 0.000 -3.947) 3.983 8.285 ( -0.537 -0.000 3.947) 3.983 8.531 ( -1.503 -0.000 -19.655) 19.712 8.531 ( 1.503 0.000 19.655) 19.712 9.115 ( 10.712 0.000 -19.582) 22.320 9.115 ( -10.712 -0.000 19.582) 22.320 9.495 ( 10.408 0.000 -21.383) 23.781 9.495 ( -10.408 -0.000 21.383) 23.781 9.699 ( -20.898 -0.000 -14.196) 25.263 9.699 ( 20.898 0.000 14.196) 25.263 10.172 ( -7.749 -0.000 -5.736) 9.641 10.172 ( 7.749 0.000 5.736) 9.641 10.816 ( -6.417 -0.000 0.275) 6.423 10.816 ( 6.417 0.000 -0.275) 6.423 12.328 ( 9.093 0.000 -7.142) 11.562 12.328 ( -9.093 -0.000 7.142) 11.562 12.825 ( 9.968 0.000 -5.800) 11.533 12.825 ( -9.968 -0.000 5.800) 11.533 13.812 ( 16.926 0.000 -18.762) 25.269 13.812 ( -16.926 -0.000 18.762) 25.269 14.760 ( 0.689 0.000 -6.946) 6.980 14.760 ( -0.689 -0.000 6.946) 6.980 15.881 ( -12.139 -0.000 4.044) 12.795 15.881 ( 12.139 0.000 -4.044) 12.795 16.170 ( -8.046 -0.000 -9.370) 12.351 16.170 ( 8.046 0.000 9.370) 12.351 19.032 ( 5.016 0.000 -29.792) 30.211 19.032 ( -5.016 -0.000 29.792) 30.211 20.533 ( 5.888 0.000 -22.176) 22.944 20.533 ( -5.888 -0.000 22.176) 22.944 26.072 ( 12.408 0.000 -6.691) 14.097 26.072 ( -12.408 -0.000 6.691) 14.097 26.573 ( 2.646 0.000 -15.739) 15.960 26.573 ( -2.646 -0.000 15.739) 15.960 28.607 ( -4.560 -0.000 0.160) 4.563 28.607 ( 4.560 0.000 -0.160) 4.563 29.928 ( 7.843 0.000 -5.336) 9.486 29.928 ( -7.843 -0.000 5.336) 9.486 30.555 ( -9.165 -0.000 -6.172) 11.050 30.555 ( 9.165 0.000 6.172) 11.050 31.250 ( -3.742 -0.000 -24.561) 24.844 31.250 ( 3.742 0.000 24.561) 24.844 =================== 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 3/38400 10.0 3067.165 2789.592 3799.613 0.000 2230.711 0.000 3/38400 20.0 409.974 316.104 370.583 0.000 144.901 0.000 3/38400 30.0 120.984 93.069 117.706 0.000 29.669 0.000 3/38400 40.0 56.326 44.137 59.114 0.000 10.992 0.000 3/38400 50.0 33.545 26.684 37.761 0.000 5.243 0.000 3/38400 60.0 23.075 18.527 27.531 0.000 2.863 0.000 3/38400 70.0 17.367 14.018 21.715 0.000 1.693 0.000 3/38400 80.0 13.876 11.231 18.023 0.000 1.044 0.000 3/38400 90.0 11.560 9.369 15.492 0.000 0.653 0.000 3/38400 100.0 9.927 8.050 13.656 0.000 0.402 0.000 3/38400 110.0 8.719 7.072 12.264 0.000 0.234 0.000 3/38400 120.0 7.793 6.321 11.171 0.000 0.116 0.000 3/38400 130.0 7.060 5.726 10.289 0.000 0.031 0.000 3/38400 140.0 6.467 5.243 9.560 0.000 -0.031 0.000 3/38400 150.0 5.975 4.843 8.946 0.000 -0.077 0.000 3/38400 160.0 5.561 4.506 8.421 0.000 -0.112 0.000 3/38400 170.0 5.208 4.218 7.966 0.000 -0.139 0.000 3/38400 180.0 4.902 3.967 7.567 0.000 -0.160 0.000 3/38400 190.0 4.634 3.748 7.214 0.000 -0.177 0.000 3/38400 200.0 4.398 3.555 6.898 0.000 -0.189 0.000 3/38400 210.0 4.187 3.382 6.614 0.000 -0.199 0.000 3/38400 220.0 3.999 3.226 6.356 0.000 -0.207 0.000 3/38400 230.0 3.828 3.086 6.121 0.000 -0.213 0.000 3/38400 240.0 3.674 2.958 5.906 0.000 -0.218 0.000 3/38400 250.0 3.533 2.842 5.708 0.000 -0.222 0.000 3/38400 260.0 3.403 2.735 5.525 0.000 -0.224 0.000 3/38400 270.0 3.284 2.636 5.356 0.000 -0.226 0.000 3/38400 280.0 3.174 2.545 5.197 0.000 -0.227 0.000 3/38400 290.0 3.072 2.460 5.049 0.000 -0.228 0.000 3/38400 300.0 2.977 2.381 4.911 0.000 -0.228 0.000 3/38400 310.0 2.889 2.307 4.780 0.000 -0.228 0.000 3/38400 320.0 2.806 2.239 4.658 0.000 -0.227 0.000 3/38400 330.0 2.728 2.174 4.541 0.000 -0.226 0.000 3/38400 340.0 2.655 2.113 4.432 0.000 -0.225 0.000 3/38400 350.0 2.586 2.056 4.327 0.000 -0.224 0.000 3/38400 360.0 2.521 2.001 4.228 0.000 -0.222 0.000 3/38400 370.0 2.459 1.950 4.134 -0.000 -0.221 0.000 3/38400 380.0 2.400 1.902 4.044 -0.000 -0.219 0.000 3/38400 390.0 2.345 1.855 3.958 -0.000 -0.217 0.000 3/38400 400.0 2.292 1.812 3.876 -0.000 -0.215 0.000 3/38400 410.0 2.241 1.770 3.797 -0.000 -0.213 0.000 3/38400 420.0 2.193 1.730 3.722 -0.000 -0.211 0.000 3/38400 430.0 2.147 1.692 3.649 -0.000 -0.209 0.000 3/38400 440.0 2.103 1.656 3.580 -0.000 -0.207 0.000 3/38400 450.0 2.061 1.621 3.513 -0.000 -0.205 0.000 3/38400 460.0 2.020 1.588 3.449 -0.000 -0.203 0.000 3/38400 470.0 1.981 1.556 3.386 -0.000 -0.201 0.000 3/38400 480.0 1.944 1.525 3.327 -0.000 -0.199 0.000 3/38400 490.0 1.908 1.496 3.269 -0.000 -0.197 0.000 3/38400 500.0 1.873 1.467 3.213 -0.000 -0.195 0.000 3/38400 510.0 1.840 1.440 3.159 -0.000 -0.193 0.000 3/38400 520.0 1.808 1.414 3.107 -0.000 -0.191 0.000 3/38400 530.0 1.777 1.389 3.056 -0.000 -0.189 0.000 3/38400 540.0 1.747 1.364 3.008 -0.000 -0.187 0.000 3/38400 550.0 1.718 1.341 2.960 -0.000 -0.184 0.000 3/38400 560.0 1.690 1.318 2.914 -0.000 -0.182 0.000 3/38400 570.0 1.663 1.296 2.870 -0.000 -0.181 0.000 3/38400 580.0 1.636 1.275 2.827 -0.000 -0.179 0.000 3/38400 590.0 1.611 1.254 2.785 -0.000 -0.177 0.000 3/38400 600.0 1.586 1.235 2.744 -0.000 -0.175 0.000 3/38400 610.0 1.562 1.215 2.704 -0.000 -0.173 0.000 3/38400 620.0 1.539 1.197 2.666 -0.000 -0.171 0.000 3/38400 630.0 1.517 1.178 2.628 -0.000 -0.169 0.000 3/38400 640.0 1.495 1.161 2.592 -0.000 -0.167 0.000 3/38400 650.0 1.473 1.144 2.556 -0.000 -0.166 0.000 3/38400 660.0 1.453 1.127 2.522 -0.000 -0.164 0.000 3/38400 670.0 1.433 1.111 2.488 -0.000 -0.162 0.000 3/38400 680.0 1.413 1.096 2.455 -0.000 -0.160 0.000 3/38400 690.0 1.394 1.080 2.423 -0.000 -0.159 0.000 3/38400 700.0 1.376 1.066 2.392 -0.000 -0.157 0.000 3/38400 710.0 1.357 1.051 2.362 -0.000 -0.155 0.000 3/38400 720.0 1.340 1.037 2.332 -0.000 -0.154 0.000 3/38400 730.0 1.323 1.024 2.303 -0.000 -0.152 0.000 3/38400 740.0 1.306 1.010 2.275 -0.000 -0.151 0.000 3/38400 750.0 1.290 0.997 2.248 -0.000 -0.149 0.000 3/38400 760.0 1.274 0.985 2.221 -0.000 -0.148 0.000 3/38400 770.0 1.258 0.972 2.194 -0.000 -0.146 0.000 3/38400 780.0 1.243 0.960 2.169 -0.000 -0.145 0.000 3/38400 790.0 1.228 0.949 2.144 -0.000 -0.143 0.000 3/38400 800.0 1.214 0.937 2.119 -0.000 -0.142 0.000 3/38400 810.0 1.200 0.926 2.095 -0.000 -0.140 0.000 3/38400 820.0 1.186 0.915 2.071 -0.000 -0.139 0.000 3/38400 830.0 1.172 0.905 2.048 -0.000 -0.138 0.000 3/38400 840.0 1.159 0.894 2.026 -0.000 -0.136 0.000 3/38400 850.0 1.146 0.884 2.004 -0.000 -0.135 0.000 3/38400 860.0 1.134 0.874 1.982 -0.000 -0.134 0.000 3/38400 870.0 1.121 0.864 1.961 -0.000 -0.133 0.000 3/38400 880.0 1.109 0.855 1.941 -0.000 -0.131 0.000 3/38400 890.0 1.098 0.845 1.920 -0.000 -0.130 0.000 3/38400 900.0 1.086 0.836 1.900 -0.000 -0.129 0.000 3/38400 910.0 1.075 0.827 1.881 -0.000 -0.128 0.000 3/38400 920.0 1.063 0.819 1.862 -0.000 -0.127 0.000 3/38400 930.0 1.053 0.810 1.843 -0.000 -0.126 0.000 3/38400 940.0 1.042 0.802 1.825 -0.000 -0.124 0.000 3/38400 950.0 1.031 0.794 1.807 -0.000 -0.123 0.000 3/38400 960.0 1.021 0.786 1.789 -0.000 -0.122 0.000 3/38400 970.0 1.011 0.778 1.772 -0.000 -0.121 0.000 3/38400 980.0 1.001 0.770 1.755 -0.000 -0.120 0.000 3/38400 990.0 0.992 0.762 1.738 -0.000 -0.119 0.000 3/38400 1000.0 0.982 0.755 1.722 -0.000 -0.118 0.000 3/38400 Thermal conductivity related properties were written into "kappa-m8810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:18:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|