----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:48:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.059691000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.163979710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.497903680000000 Atomic positions (fractional): *1 C 0.91211771902646 0.25000000000000 0.74026557342570 12.011 2 C 0.08788228097354 0.75000000000000 0.25973442657430 12.011 3 C 0.41211771902646 0.25000000000000 0.75973442657430 12.011 4 C 0.58788228097354 0.75000000000000 0.24026557342570 12.011 *5 O 0.40955878414163 0.46738083958926 0.68311138309627 15.999 6 O 0.59044121585837 0.96738083958926 0.31688861690373 15.999 7 O 0.90955878414163 0.03261916041074 0.81688861690373 15.999 8 O 0.09044121585837 0.53261916041074 0.18311138309627 15.999 *9 O 0.59669978506297 0.75000000000000 0.08781423144918 15.999 10 O 0.40330021493703 0.25000000000000 0.91218576855082 15.999 11 O 0.09669978506297 0.75000000000000 0.41218576855082 15.999 12 O 0.90330021493703 0.25000000000000 0.58781423144918 15.999 13 O 0.59044121585837 0.53261916041074 0.31688861690373 15.999 14 O 0.40955878414163 0.03261916041074 0.68311138309627 15.999 15 O 0.09044121585837 0.96738083958926 0.18311138309627 15.999 16 O 0.90955878414163 0.46738083958926 0.81688861690373 15.999 *17 Pb 0.75414113825744 0.25000000000000 0.08311289615074 207.200 18 Pb 0.24585886174256 0.75000000000000 0.91688710384926 207.200 19 Pb 0.25414113825744 0.25000000000000 0.41688710384926 207.200 20 Pb 0.74585886174256 0.75000000000000 0.58311289615074 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.059691000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.163979710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.497903680000000 Atomic positions (fractional): *1 C 0.91211771902646 0.25000000000000 0.74026557342570 12.011 > 1 2 C 0.08788228097354 0.75000000000000 0.25973442657430 12.011 > 2 3 C 0.41211771902646 0.25000000000000 0.75973442657430 12.011 > 3 4 C 0.58788228097354 0.75000000000000 0.24026557342570 12.011 > 4 *5 O 0.40955878414163 0.46738083958926 0.68311138309627 15.999 > 5 6 O 0.59044121585837 0.96738083958926 0.31688861690373 15.999 > 6 7 O 0.90955878414163 0.03261916041074 0.81688861690373 15.999 > 7 8 O 0.09044121585837 0.53261916041074 0.18311138309627 15.999 > 8 *9 O 0.59669978506297 0.75000000000000 0.08781423144918 15.999 > 9 10 O 0.40330021493703 0.25000000000000 0.91218576855082 15.999 > 10 11 O 0.09669978506297 0.75000000000000 0.41218576855082 15.999 > 11 12 O 0.90330021493703 0.25000000000000 0.58781423144918 15.999 > 12 13 O 0.59044121585837 0.53261916041074 0.31688861690373 15.999 > 13 14 O 0.40955878414163 0.03261916041074 0.68311138309627 15.999 > 14 15 O 0.09044121585837 0.96738083958926 0.18311138309627 15.999 > 15 16 O 0.90955878414163 0.46738083958926 0.81688861690373 15.999 > 16 *17 Pb 0.75414113825744 0.25000000000000 0.08311289615074 207.200 > 17 18 Pb 0.24585886174256 0.75000000000000 0.91688710384926 207.200 > 18 19 Pb 0.25414113825744 0.25000000000000 0.41688710384926 207.200 > 19 20 Pb 0.74585886174256 0.75000000000000 0.58311289615074 207.200 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.119382000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.327959419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.497903680000000 Atomic positions (fractional): *1 C 0.45605885951323 0.12500000000000 0.74026557342570 12.011 > 1 2 C 0.95605885951323 0.12500000000000 0.74026557342570 12.011 > 1 3 C 0.45605885951323 0.62500000000000 0.74026557342570 12.011 > 1 4 C 0.95605885951323 0.62500000000000 0.74026557342570 12.011 > 1 5 C 0.04394114048677 0.37500000000000 0.25973442657430 12.011 > 2 6 C 0.54394114048677 0.37500000000000 0.25973442657430 12.011 > 2 7 C 0.04394114048677 0.87500000000000 0.25973442657430 12.011 > 2 8 C 0.54394114048677 0.87500000000000 0.25973442657430 12.011 > 2 9 C 0.20605885951323 0.12500000000000 0.75973442657430 12.011 > 3 10 C 0.70605885951323 0.12500000000000 0.75973442657430 12.011 > 3 11 C 0.20605885951323 0.62500000000000 0.75973442657430 12.011 > 3 12 C 0.70605885951323 0.62500000000000 0.75973442657430 12.011 > 3 13 C 0.29394114048677 0.37500000000000 0.24026557342570 12.011 > 4 14 C 0.79394114048677 0.37500000000000 0.24026557342570 12.011 > 4 15 C 0.29394114048677 0.87500000000000 0.24026557342570 12.011 > 4 16 C 0.79394114048677 0.87500000000000 0.24026557342570 12.011 > 4 *17 O 0.20477939207081 0.23369041979463 0.68311138309627 15.999 > 5 18 O 0.70477939207081 0.23369041979463 0.68311138309627 15.999 > 5 19 O 0.20477939207081 0.73369041979463 0.68311138309627 15.999 > 5 20 O 0.70477939207081 0.73369041979463 0.68311138309627 15.999 > 5 21 O 0.29522060792919 0.48369041979463 0.31688861690373 15.999 > 6 22 O 0.79522060792919 0.48369041979463 0.31688861690373 15.999 > 6 23 O 0.29522060792919 0.98369041979463 0.31688861690373 15.999 > 6 24 O 0.79522060792919 0.98369041979463 0.31688861690373 15.999 > 6 25 O 0.45477939207081 0.01630958020537 0.81688861690373 15.999 > 7 26 O 0.95477939207081 0.01630958020537 0.81688861690373 15.999 > 7 27 O 0.45477939207081 0.51630958020537 0.81688861690373 15.999 > 7 28 O 0.95477939207081 0.51630958020537 0.81688861690373 15.999 > 7 29 O 0.04522060792919 0.26630958020537 0.18311138309627 15.999 > 8 30 O 0.54522060792919 0.26630958020537 0.18311138309627 15.999 > 8 31 O 0.04522060792919 0.76630958020537 0.18311138309627 15.999 > 8 32 O 0.54522060792919 0.76630958020537 0.18311138309627 15.999 > 8 *33 O 0.29834989253149 0.37500000000000 0.08781423144918 15.999 > 9 34 O 0.79834989253149 0.37500000000000 0.08781423144918 15.999 > 9 35 O 0.29834989253149 0.87500000000000 0.08781423144918 15.999 > 9 36 O 0.79834989253149 0.87500000000000 0.08781423144918 15.999 > 9 37 O 0.20165010746851 0.12500000000000 0.91218576855082 15.999 > 10 38 O 0.70165010746851 0.12500000000000 0.91218576855082 15.999 > 10 39 O 0.20165010746851 0.62500000000000 0.91218576855082 15.999 > 10 40 O 0.70165010746851 0.62500000000000 0.91218576855082 15.999 > 10 41 O 0.04834989253149 0.37500000000000 0.41218576855082 15.999 > 11 42 O 0.54834989253149 0.37500000000000 0.41218576855082 15.999 > 11 43 O 0.04834989253149 0.87500000000000 0.41218576855082 15.999 > 11 44 O 0.54834989253149 0.87500000000000 0.41218576855082 15.999 > 11 45 O 0.45165010746851 0.12500000000000 0.58781423144918 15.999 > 12 46 O 0.95165010746851 0.12500000000000 0.58781423144918 15.999 > 12 47 O 0.45165010746851 0.62500000000000 0.58781423144918 15.999 > 12 48 O 0.95165010746851 0.62500000000000 0.58781423144918 15.999 > 12 49 O 0.29522060792919 0.26630958020537 0.31688861690373 15.999 > 13 50 O 0.79522060792919 0.26630958020537 0.31688861690373 15.999 > 13 51 O 0.29522060792919 0.76630958020537 0.31688861690373 15.999 > 13 52 O 0.79522060792919 0.76630958020537 0.31688861690373 15.999 > 13 53 O 0.20477939207081 0.01630958020537 0.68311138309627 15.999 > 14 54 O 0.70477939207081 0.01630958020537 0.68311138309627 15.999 > 14 55 O 0.20477939207081 0.51630958020537 0.68311138309627 15.999 > 14 56 O 0.70477939207081 0.51630958020537 0.68311138309627 15.999 > 14 57 O 0.04522060792919 0.48369041979463 0.18311138309627 15.999 > 15 58 O 0.54522060792919 0.48369041979463 0.18311138309627 15.999 > 15 59 O 0.04522060792919 0.98369041979463 0.18311138309627 15.999 > 15 60 O 0.54522060792919 0.98369041979463 0.18311138309627 15.999 > 15 61 O 0.45477939207081 0.23369041979463 0.81688861690373 15.999 > 16 62 O 0.95477939207081 0.23369041979463 0.81688861690373 15.999 > 16 63 O 0.45477939207081 0.73369041979463 0.81688861690373 15.999 > 16 64 O 0.95477939207081 0.73369041979463 0.81688861690373 15.999 > 16 *65 Pb 0.37707056912872 0.12500000000000 0.08311289615074 207.200 > 17 66 Pb 0.87707056912872 0.12500000000000 0.08311289615074 207.200 > 17 67 Pb 0.37707056912872 0.62500000000000 0.08311289615074 207.200 > 17 68 Pb 0.87707056912872 0.62500000000000 0.08311289615074 207.200 > 17 69 Pb 0.12292943087128 0.37500000000000 0.91688710384926 207.200 > 18 70 Pb 0.62292943087128 0.37500000000000 0.91688710384926 207.200 > 18 71 Pb 0.12292943087128 0.87500000000000 0.91688710384926 207.200 > 18 72 Pb 0.62292943087128 0.87500000000000 0.91688710384926 207.200 > 18 73 Pb 0.12707056912872 0.12500000000000 0.41688710384926 207.200 > 19 74 Pb 0.62707056912872 0.12500000000000 0.41688710384926 207.200 > 19 75 Pb 0.12707056912872 0.62500000000000 0.41688710384926 207.200 > 19 76 Pb 0.62707056912872 0.62500000000000 0.41688710384926 207.200 > 19 77 Pb 0.37292943087128 0.37500000000000 0.58311289615074 207.200 > 20 78 Pb 0.87292943087128 0.37500000000000 0.58311289615074 207.200 > 20 79 Pb 0.37292943087128 0.87500000000000 0.58311289615074 207.200 > 20 80 Pb 0.87292943087128 0.87500000000000 0.58311289615074 207.200 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3675008 0.0000000 0.0000000 0.0000000 4.6314797 0.0000000 0.0000000 0.0000000 4.6237008 -------------------------- Born effective charges -------------------------- 1 C -0.0775882 0.0000000 -0.1253106 0.0000000 3.1371733 0.0000000 0.0422031 0.0000000 3.1459176 2 C -0.0775882 0.0000000 -0.1253106 0.0000000 3.1371733 0.0000000 0.0422031 0.0000000 3.1459176 3 C -0.0775882 0.0000000 0.1253106 0.0000000 3.1371733 0.0000000 -0.0422031 0.0000000 3.1459176 4 C -0.0775882 0.0000000 0.1253106 0.0000000 3.1371733 0.0000000 -0.0422031 0.0000000 3.1459176 5 O -0.9850115 -0.1672790 0.0913609 -0.2410505 -2.5534314 0.2814148 0.1921064 0.3448011 -2.0869485 6 O -0.9850115 0.1672790 0.0913609 0.2410505 -2.5534314 -0.2814148 0.1921064 -0.3448011 -2.0869485 7 O -0.9850115 0.1672790 -0.0913609 0.2410505 -2.5534314 0.2814148 -0.1921064 0.3448011 -2.0869485 8 O -0.9850115 -0.1672790 -0.0913609 -0.2410505 -2.5534314 -0.2814148 -0.1921064 -0.3448011 -2.0869485 9 O -1.0423324 0.0000000 -0.3689596 0.0000000 -1.7634005 0.0000000 -0.3537450 0.0000000 -2.6900531 10 O -1.0423324 0.0000000 -0.3689596 0.0000000 -1.7634005 0.0000000 -0.3537450 0.0000000 -2.6900531 11 O -1.0423324 0.0000000 0.3689596 0.0000000 -1.7634005 0.0000000 0.3537450 0.0000000 -2.6900531 12 O -1.0423324 0.0000000 0.3689596 0.0000000 -1.7634005 0.0000000 0.3537450 0.0000000 -2.6900531 13 O -0.9850115 -0.1672790 0.0913609 -0.2410505 -2.5534314 0.2814148 0.1921064 0.3448011 -2.0869485 14 O -0.9850115 0.1672790 0.0913609 0.2410505 -2.5534314 -0.2814148 0.1921064 -0.3448011 -2.0869485 15 O -0.9850115 0.1672790 -0.0913609 0.2410505 -2.5534314 0.2814148 -0.1921064 0.3448011 -2.0869485 16 O -0.9850115 -0.1672790 -0.0913609 -0.2410505 -2.5534314 -0.2814148 -0.1921064 -0.3448011 -2.0869485 17 Pb 3.0899436 0.0000000 -0.1743941 0.0000000 3.7330899 0.0000000 -0.0095834 0.0000000 3.7180324 18 Pb 3.0899436 0.0000000 -0.1743941 0.0000000 3.7330899 0.0000000 -0.0095834 0.0000000 3.7180324 19 Pb 3.0899436 0.0000000 0.1743941 0.0000000 3.7330899 0.0000000 0.0095834 0.0000000 3.7180324 20 Pb 3.0899436 0.0000000 0.1743941 0.0000000 3.7330899 0.0000000 0.0095834 0.0000000 3.7180324 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 978 Number of blocks in projector: 978 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (978, 954), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (164, 162), data: True |-- (164, 162), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.882 Solver_block: 200 / 320 - Time: 0.740 Solver_block: 300 / 320 - Time: 0.786 Solver_block: 320 / 320 - Time: 0.260 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.943 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 978 Number of blocks in projector: 978 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (978, 954), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (164, 162), data: True |-- (164, 162), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:49:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:49:08]------------------------- 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.059691000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.163979710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.497903680000000 Atomic positions (fractional): 1 C 0.91211771902646 0.25000000000000 0.74026557342570 12.011 2 C 0.08788228097354 0.75000000000000 0.25973442657430 12.011 3 C 0.41211771902646 0.25000000000000 0.75973442657430 12.011 4 C 0.58788228097354 0.75000000000000 0.24026557342570 12.011 5 O 0.40955878414163 0.46738083958926 0.68311138309627 15.999 6 O 0.59044121585837 0.96738083958926 0.31688861690373 15.999 7 O 0.90955878414163 0.03261916041074 0.81688861690373 15.999 8 O 0.09044121585837 0.53261916041074 0.18311138309627 15.999 9 O 0.59669978506297 0.75000000000000 0.08781423144918 15.999 10 O 0.40330021493703 0.25000000000000 0.91218576855082 15.999 11 O 0.09669978506297 0.75000000000000 0.41218576855082 15.999 12 O 0.90330021493703 0.25000000000000 0.58781423144918 15.999 13 O 0.59044121585837 0.53261916041074 0.31688861690373 15.999 14 O 0.40955878414163 0.03261916041074 0.68311138309627 15.999 15 O 0.09044121585837 0.96738083958926 0.18311138309627 15.999 16 O 0.90955878414163 0.46738083958926 0.81688861690373 15.999 17 Pb 0.75414113825744 0.25000000000000 0.08311289615074 207.200 18 Pb 0.24585886174256 0.75000000000000 0.91688710384926 207.200 19 Pb 0.25414113825744 0.25000000000000 0.41688710384926 207.200 20 Pb 0.74585886174256 0.75000000000000 0.58311289615074 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.119382000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.327959419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.497903680000000 Atomic positions (fractional): 1 C 0.45605885951323 0.12500000000000 0.74026557342570 12.011 > 1 2 C 0.95605885951323 0.12500000000000 0.74026557342570 12.011 > 1 3 C 0.45605885951323 0.62500000000000 0.74026557342570 12.011 > 1 4 C 0.95605885951323 0.62500000000000 0.74026557342570 12.011 > 1 5 C 0.04394114048677 0.37500000000000 0.25973442657430 12.011 > 5 6 C 0.54394114048677 0.37500000000000 0.25973442657430 12.011 > 5 7 C 0.04394114048677 0.87500000000000 0.25973442657430 12.011 > 5 8 C 0.54394114048677 0.87500000000000 0.25973442657430 12.011 > 5 9 C 0.20605885951323 0.12500000000000 0.75973442657430 12.011 > 9 10 C 0.70605885951323 0.12500000000000 0.75973442657430 12.011 > 9 11 C 0.20605885951323 0.62500000000000 0.75973442657430 12.011 > 9 12 C 0.70605885951323 0.62500000000000 0.75973442657430 12.011 > 9 13 C 0.29394114048677 0.37500000000000 0.24026557342570 12.011 > 13 14 C 0.79394114048677 0.37500000000000 0.24026557342570 12.011 > 13 15 C 0.29394114048677 0.87500000000000 0.24026557342570 12.011 > 13 16 C 0.79394114048677 0.87500000000000 0.24026557342570 12.011 > 13 17 O 0.20477939207081 0.23369041979463 0.68311138309627 15.999 > 17 18 O 0.70477939207081 0.23369041979463 0.68311138309627 15.999 > 17 19 O 0.20477939207081 0.73369041979463 0.68311138309627 15.999 > 17 20 O 0.70477939207081 0.73369041979463 0.68311138309627 15.999 > 17 21 O 0.29522060792919 0.48369041979463 0.31688861690373 15.999 > 21 22 O 0.79522060792919 0.48369041979463 0.31688861690373 15.999 > 21 23 O 0.29522060792919 0.98369041979463 0.31688861690373 15.999 > 21 24 O 0.79522060792919 0.98369041979463 0.31688861690373 15.999 > 21 25 O 0.45477939207081 0.01630958020537 0.81688861690373 15.999 > 25 26 O 0.95477939207081 0.01630958020537 0.81688861690373 15.999 > 25 27 O 0.45477939207081 0.51630958020537 0.81688861690373 15.999 > 25 28 O 0.95477939207081 0.51630958020537 0.81688861690373 15.999 > 25 29 O 0.04522060792919 0.26630958020537 0.18311138309627 15.999 > 29 30 O 0.54522060792919 0.26630958020537 0.18311138309627 15.999 > 29 31 O 0.04522060792919 0.76630958020537 0.18311138309627 15.999 > 29 32 O 0.54522060792919 0.76630958020537 0.18311138309627 15.999 > 29 33 O 0.29834989253149 0.37500000000000 0.08781423144918 15.999 > 33 34 O 0.79834989253149 0.37500000000000 0.08781423144918 15.999 > 33 35 O 0.29834989253149 0.87500000000000 0.08781423144918 15.999 > 33 36 O 0.79834989253149 0.87500000000000 0.08781423144918 15.999 > 33 37 O 0.20165010746851 0.12500000000000 0.91218576855082 15.999 > 37 38 O 0.70165010746851 0.12500000000000 0.91218576855082 15.999 > 37 39 O 0.20165010746851 0.62500000000000 0.91218576855082 15.999 > 37 40 O 0.70165010746851 0.62500000000000 0.91218576855082 15.999 > 37 41 O 0.04834989253149 0.37500000000000 0.41218576855082 15.999 > 41 42 O 0.54834989253149 0.37500000000000 0.41218576855082 15.999 > 41 43 O 0.04834989253149 0.87500000000000 0.41218576855082 15.999 > 41 44 O 0.54834989253149 0.87500000000000 0.41218576855082 15.999 > 41 45 O 0.45165010746851 0.12500000000000 0.58781423144918 15.999 > 45 46 O 0.95165010746851 0.12500000000000 0.58781423144918 15.999 > 45 47 O 0.45165010746851 0.62500000000000 0.58781423144918 15.999 > 45 48 O 0.95165010746851 0.62500000000000 0.58781423144918 15.999 > 45 49 O 0.29522060792919 0.26630958020537 0.31688861690373 15.999 > 49 50 O 0.79522060792919 0.26630958020537 0.31688861690373 15.999 > 49 51 O 0.29522060792919 0.76630958020537 0.31688861690373 15.999 > 49 52 O 0.79522060792919 0.76630958020537 0.31688861690373 15.999 > 49 53 O 0.20477939207081 0.01630958020537 0.68311138309627 15.999 > 53 54 O 0.70477939207081 0.01630958020537 0.68311138309627 15.999 > 53 55 O 0.20477939207081 0.51630958020537 0.68311138309627 15.999 > 53 56 O 0.70477939207081 0.51630958020537 0.68311138309627 15.999 > 53 57 O 0.04522060792919 0.48369041979463 0.18311138309627 15.999 > 57 58 O 0.54522060792919 0.48369041979463 0.18311138309627 15.999 > 57 59 O 0.04522060792919 0.98369041979463 0.18311138309627 15.999 > 57 60 O 0.54522060792919 0.98369041979463 0.18311138309627 15.999 > 57 61 O 0.45477939207081 0.23369041979463 0.81688861690373 15.999 > 61 62 O 0.95477939207081 0.23369041979463 0.81688861690373 15.999 > 61 63 O 0.45477939207081 0.73369041979463 0.81688861690373 15.999 > 61 64 O 0.95477939207081 0.73369041979463 0.81688861690373 15.999 > 61 65 Pb 0.37707056912872 0.12500000000000 0.08311289615074 207.200 > 65 66 Pb 0.87707056912872 0.12500000000000 0.08311289615074 207.200 > 65 67 Pb 0.37707056912872 0.62500000000000 0.08311289615074 207.200 > 65 68 Pb 0.87707056912872 0.62500000000000 0.08311289615074 207.200 > 65 69 Pb 0.12292943087128 0.37500000000000 0.91688710384926 207.200 > 69 70 Pb 0.62292943087128 0.37500000000000 0.91688710384926 207.200 > 69 71 Pb 0.12292943087128 0.87500000000000 0.91688710384926 207.200 > 69 72 Pb 0.62292943087128 0.87500000000000 0.91688710384926 207.200 > 69 73 Pb 0.12707056912872 0.12500000000000 0.41688710384926 207.200 > 73 74 Pb 0.62707056912872 0.12500000000000 0.41688710384926 207.200 > 73 75 Pb 0.12707056912872 0.62500000000000 0.41688710384926 207.200 > 73 76 Pb 0.62707056912872 0.62500000000000 0.41688710384926 207.200 > 73 77 Pb 0.37292943087128 0.37500000000000 0.58311289615074 207.200 > 77 78 Pb 0.87292943087128 0.37500000000000 0.58311289615074 207.200 > 77 79 Pb 0.37292943087128 0.87500000000000 0.58311289615074 207.200 > 77 80 Pb 0.87292943087128 0.87500000000000 0.58311289615074 207.200 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3675008 0.0000000 0.0000000 0.0000000 4.6314797 0.0000000 0.0000000 0.0000000 4.6237008 -------------------------- Born effective charges -------------------------- 1 C -0.0775882 0.0000000 -0.1253106 0.0000000 3.1371733 0.0000000 0.0422031 0.0000000 3.1459176 2 C -0.0775882 0.0000000 -0.1253106 0.0000000 3.1371733 0.0000000 0.0422031 0.0000000 3.1459176 3 C -0.0775882 0.0000000 0.1253106 0.0000000 3.1371733 0.0000000 -0.0422031 0.0000000 3.1459176 4 C -0.0775882 0.0000000 0.1253106 0.0000000 3.1371733 0.0000000 -0.0422031 0.0000000 3.1459176 5 O -0.9850115 -0.1672790 0.0913609 -0.2410505 -2.5534314 0.2814148 0.1921064 0.3448011 -2.0869485 6 O -0.9850115 0.1672790 0.0913609 0.2410505 -2.5534314 -0.2814148 0.1921064 -0.3448011 -2.0869485 7 O -0.9850115 0.1672790 -0.0913609 0.2410505 -2.5534314 0.2814148 -0.1921064 0.3448011 -2.0869485 8 O -0.9850115 -0.1672790 -0.0913609 -0.2410505 -2.5534314 -0.2814148 -0.1921064 -0.3448011 -2.0869485 9 O -1.0423324 0.0000000 -0.3689596 0.0000000 -1.7634005 0.0000000 -0.3537450 0.0000000 -2.6900531 10 O -1.0423324 0.0000000 -0.3689596 0.0000000 -1.7634005 0.0000000 -0.3537450 0.0000000 -2.6900531 11 O -1.0423324 0.0000000 0.3689596 0.0000000 -1.7634005 0.0000000 0.3537450 0.0000000 -2.6900531 12 O -1.0423324 0.0000000 0.3689596 0.0000000 -1.7634005 0.0000000 0.3537450 0.0000000 -2.6900531 13 O -0.9850115 -0.1672790 0.0913609 -0.2410505 -2.5534314 0.2814148 0.1921064 0.3448011 -2.0869485 14 O -0.9850115 0.1672790 0.0913609 0.2410505 -2.5534314 -0.2814148 0.1921064 -0.3448011 -2.0869485 15 O -0.9850115 0.1672790 -0.0913609 0.2410505 -2.5534314 0.2814148 -0.1921064 0.3448011 -2.0869485 16 O -0.9850115 -0.1672790 -0.0913609 -0.2410505 -2.5534314 -0.2814148 -0.1921064 -0.3448011 -2.0869485 17 Pb 3.0899436 0.0000000 -0.1743941 0.0000000 3.7330899 0.0000000 -0.0095834 0.0000000 3.7180324 18 Pb 3.0899436 0.0000000 -0.1743941 0.0000000 3.7330899 0.0000000 -0.0095834 0.0000000 3.7180324 19 Pb 3.0899436 0.0000000 0.1743941 0.0000000 3.7330899 0.0000000 0.0095834 0.0000000 3.7180324 20 Pb 3.0899436 0.0000000 0.1743941 0.0000000 3.7330899 0.0000000 0.0095834 0.0000000 3.7180324 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000044 (yzy) -0.00000044 (yzy) -0.00000044 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (zy) -0.00000003 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:49:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:49:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.059691000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.163979710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.497903680000000 Atomic positions (fractional): 1 C 0.91211771902646 0.25000000000000 0.74026557342570 12.011 2 C 0.08788228097354 0.75000000000000 0.25973442657430 12.011 3 C 0.41211771902646 0.25000000000000 0.75973442657430 12.011 4 C 0.58788228097354 0.75000000000000 0.24026557342570 12.011 5 O 0.40955878414163 0.46738083958926 0.68311138309627 15.999 6 O 0.59044121585837 0.96738083958926 0.31688861690373 15.999 7 O 0.90955878414163 0.03261916041074 0.81688861690373 15.999 8 O 0.09044121585837 0.53261916041074 0.18311138309627 15.999 9 O 0.59669978506297 0.75000000000000 0.08781423144918 15.999 10 O 0.40330021493703 0.25000000000000 0.91218576855082 15.999 11 O 0.09669978506297 0.75000000000000 0.41218576855082 15.999 12 O 0.90330021493703 0.25000000000000 0.58781423144918 15.999 13 O 0.59044121585837 0.53261916041074 0.31688861690373 15.999 14 O 0.40955878414163 0.03261916041074 0.68311138309627 15.999 15 O 0.09044121585837 0.96738083958926 0.18311138309627 15.999 16 O 0.90955878414163 0.46738083958926 0.81688861690373 15.999 17 Pb 0.75414113825744 0.25000000000000 0.08311289615074 207.200 18 Pb 0.24585886174256 0.75000000000000 0.91688710384926 207.200 19 Pb 0.25414113825744 0.25000000000000 0.41688710384926 207.200 20 Pb 0.74585886174256 0.75000000000000 0.58311289615074 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.119382000000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.327959419999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.497903680000000 Atomic positions (fractional): 1 C 0.45605885951323 0.12500000000000 0.74026557342570 12.011 > 1 2 C 0.95605885951323 0.12500000000000 0.74026557342570 12.011 > 1 3 C 0.45605885951323 0.62500000000000 0.74026557342570 12.011 > 1 4 C 0.95605885951323 0.62500000000000 0.74026557342570 12.011 > 1 5 C 0.04394114048677 0.37500000000000 0.25973442657430 12.011 > 5 6 C 0.54394114048677 0.37500000000000 0.25973442657430 12.011 > 5 7 C 0.04394114048677 0.87500000000000 0.25973442657430 12.011 > 5 8 C 0.54394114048677 0.87500000000000 0.25973442657430 12.011 > 5 9 C 0.20605885951323 0.12500000000000 0.75973442657430 12.011 > 9 10 C 0.70605885951323 0.12500000000000 0.75973442657430 12.011 > 9 11 C 0.20605885951323 0.62500000000000 0.75973442657430 12.011 > 9 12 C 0.70605885951323 0.62500000000000 0.75973442657430 12.011 > 9 13 C 0.29394114048677 0.37500000000000 0.24026557342570 12.011 > 13 14 C 0.79394114048677 0.37500000000000 0.24026557342570 12.011 > 13 15 C 0.29394114048677 0.87500000000000 0.24026557342570 12.011 > 13 16 C 0.79394114048677 0.87500000000000 0.24026557342570 12.011 > 13 17 O 0.20477939207081 0.23369041979463 0.68311138309627 15.999 > 17 18 O 0.70477939207081 0.23369041979463 0.68311138309627 15.999 > 17 19 O 0.20477939207081 0.73369041979463 0.68311138309627 15.999 > 17 20 O 0.70477939207081 0.73369041979463 0.68311138309627 15.999 > 17 21 O 0.29522060792919 0.48369041979463 0.31688861690373 15.999 > 21 22 O 0.79522060792919 0.48369041979463 0.31688861690373 15.999 > 21 23 O 0.29522060792919 0.98369041979463 0.31688861690373 15.999 > 21 24 O 0.79522060792919 0.98369041979463 0.31688861690373 15.999 > 21 25 O 0.45477939207081 0.01630958020537 0.81688861690373 15.999 > 25 26 O 0.95477939207081 0.01630958020537 0.81688861690373 15.999 > 25 27 O 0.45477939207081 0.51630958020537 0.81688861690373 15.999 > 25 28 O 0.95477939207081 0.51630958020537 0.81688861690373 15.999 > 25 29 O 0.04522060792919 0.26630958020537 0.18311138309627 15.999 > 29 30 O 0.54522060792919 0.26630958020537 0.18311138309627 15.999 > 29 31 O 0.04522060792919 0.76630958020537 0.18311138309627 15.999 > 29 32 O 0.54522060792919 0.76630958020537 0.18311138309627 15.999 > 29 33 O 0.29834989253149 0.37500000000000 0.08781423144918 15.999 > 33 34 O 0.79834989253149 0.37500000000000 0.08781423144918 15.999 > 33 35 O 0.29834989253149 0.87500000000000 0.08781423144918 15.999 > 33 36 O 0.79834989253149 0.87500000000000 0.08781423144918 15.999 > 33 37 O 0.20165010746851 0.12500000000000 0.91218576855082 15.999 > 37 38 O 0.70165010746851 0.12500000000000 0.91218576855082 15.999 > 37 39 O 0.20165010746851 0.62500000000000 0.91218576855082 15.999 > 37 40 O 0.70165010746851 0.62500000000000 0.91218576855082 15.999 > 37 41 O 0.04834989253149 0.37500000000000 0.41218576855082 15.999 > 41 42 O 0.54834989253149 0.37500000000000 0.41218576855082 15.999 > 41 43 O 0.04834989253149 0.87500000000000 0.41218576855082 15.999 > 41 44 O 0.54834989253149 0.87500000000000 0.41218576855082 15.999 > 41 45 O 0.45165010746851 0.12500000000000 0.58781423144918 15.999 > 45 46 O 0.95165010746851 0.12500000000000 0.58781423144918 15.999 > 45 47 O 0.45165010746851 0.62500000000000 0.58781423144918 15.999 > 45 48 O 0.95165010746851 0.62500000000000 0.58781423144918 15.999 > 45 49 O 0.29522060792919 0.26630958020537 0.31688861690373 15.999 > 49 50 O 0.79522060792919 0.26630958020537 0.31688861690373 15.999 > 49 51 O 0.29522060792919 0.76630958020537 0.31688861690373 15.999 > 49 52 O 0.79522060792919 0.76630958020537 0.31688861690373 15.999 > 49 53 O 0.20477939207081 0.01630958020537 0.68311138309627 15.999 > 53 54 O 0.70477939207081 0.01630958020537 0.68311138309627 15.999 > 53 55 O 0.20477939207081 0.51630958020537 0.68311138309627 15.999 > 53 56 O 0.70477939207081 0.51630958020537 0.68311138309627 15.999 > 53 57 O 0.04522060792919 0.48369041979463 0.18311138309627 15.999 > 57 58 O 0.54522060792919 0.48369041979463 0.18311138309627 15.999 > 57 59 O 0.04522060792919 0.98369041979463 0.18311138309627 15.999 > 57 60 O 0.54522060792919 0.98369041979463 0.18311138309627 15.999 > 57 61 O 0.45477939207081 0.23369041979463 0.81688861690373 15.999 > 61 62 O 0.95477939207081 0.23369041979463 0.81688861690373 15.999 > 61 63 O 0.45477939207081 0.73369041979463 0.81688861690373 15.999 > 61 64 O 0.95477939207081 0.73369041979463 0.81688861690373 15.999 > 61 65 Pb 0.37707056912872 0.12500000000000 0.08311289615074 207.200 > 65 66 Pb 0.87707056912872 0.12500000000000 0.08311289615074 207.200 > 65 67 Pb 0.37707056912872 0.62500000000000 0.08311289615074 207.200 > 65 68 Pb 0.87707056912872 0.62500000000000 0.08311289615074 207.200 > 65 69 Pb 0.12292943087128 0.37500000000000 0.91688710384926 207.200 > 69 70 Pb 0.62292943087128 0.37500000000000 0.91688710384926 207.200 > 69 71 Pb 0.12292943087128 0.87500000000000 0.91688710384926 207.200 > 69 72 Pb 0.62292943087128 0.87500000000000 0.91688710384926 207.200 > 69 73 Pb 0.12707056912872 0.12500000000000 0.41688710384926 207.200 > 73 74 Pb 0.62707056912872 0.12500000000000 0.41688710384926 207.200 > 73 75 Pb 0.12707056912872 0.62500000000000 0.41688710384926 207.200 > 73 76 Pb 0.62707056912872 0.62500000000000 0.41688710384926 207.200 > 73 77 Pb 0.37292943087128 0.37500000000000 0.58311289615074 207.200 > 77 78 Pb 0.87292943087128 0.37500000000000 0.58311289615074 207.200 > 77 79 Pb 0.37292943087128 0.87500000000000 0.58311289615074 207.200 > 77 80 Pb 0.87292943087128 0.87500000000000 0.58311289615074 207.200 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3675008 0.0000000 0.0000000 0.0000000 4.6314797 0.0000000 0.0000000 0.0000000 4.6237008 -------------------------- Born effective charges -------------------------- 1 C -0.0775882 0.0000000 -0.1253106 0.0000000 3.1371733 0.0000000 0.0422031 0.0000000 3.1459176 2 C -0.0775882 0.0000000 -0.1253106 0.0000000 3.1371733 0.0000000 0.0422031 0.0000000 3.1459176 3 C -0.0775882 0.0000000 0.1253106 0.0000000 3.1371733 0.0000000 -0.0422031 0.0000000 3.1459176 4 C -0.0775882 0.0000000 0.1253106 0.0000000 3.1371733 0.0000000 -0.0422031 0.0000000 3.1459176 5 O -0.9850115 -0.1672790 0.0913609 -0.2410505 -2.5534314 0.2814148 0.1921064 0.3448011 -2.0869485 6 O -0.9850115 0.1672790 0.0913609 0.2410505 -2.5534314 -0.2814148 0.1921064 -0.3448011 -2.0869485 7 O -0.9850115 0.1672790 -0.0913609 0.2410505 -2.5534314 0.2814148 -0.1921064 0.3448011 -2.0869485 8 O -0.9850115 -0.1672790 -0.0913609 -0.2410505 -2.5534314 -0.2814148 -0.1921064 -0.3448011 -2.0869485 9 O -1.0423324 0.0000000 -0.3689596 0.0000000 -1.7634005 0.0000000 -0.3537450 0.0000000 -2.6900531 10 O -1.0423324 0.0000000 -0.3689596 0.0000000 -1.7634005 0.0000000 -0.3537450 0.0000000 -2.6900531 11 O -1.0423324 0.0000000 0.3689596 0.0000000 -1.7634005 0.0000000 0.3537450 0.0000000 -2.6900531 12 O -1.0423324 0.0000000 0.3689596 0.0000000 -1.7634005 0.0000000 0.3537450 0.0000000 -2.6900531 13 O -0.9850115 -0.1672790 0.0913609 -0.2410505 -2.5534314 0.2814148 0.1921064 0.3448011 -2.0869485 14 O -0.9850115 0.1672790 0.0913609 0.2410505 -2.5534314 -0.2814148 0.1921064 -0.3448011 -2.0869485 15 O -0.9850115 0.1672790 -0.0913609 0.2410505 -2.5534314 0.2814148 -0.1921064 0.3448011 -2.0869485 16 O -0.9850115 -0.1672790 -0.0913609 -0.2410505 -2.5534314 -0.2814148 -0.1921064 -0.3448011 -2.0869485 17 Pb 3.0899436 0.0000000 -0.1743941 0.0000000 3.7330899 0.0000000 -0.0095834 0.0000000 3.7180324 18 Pb 3.0899436 0.0000000 -0.1743941 0.0000000 3.7330899 0.0000000 -0.0095834 0.0000000 3.7180324 19 Pb 3.0899436 0.0000000 0.1743941 0.0000000 3.7330899 0.0000000 0.0095834 0.0000000 3.7180324 20 Pb 3.0899436 0.0000000 0.1743941 0.0000000 3.7330899 0.0000000 0.0095834 0.0000000 3.7180324 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000044 (yzy) -0.00000044 (yzy) -0.00000044 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 10 6 ] 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: 0.65, Number of G-points: 311, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.837 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.756 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 6.833 ( 0.000 0.000 0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 7.291 ( 0.000 0.000 0.000) 0.000 7.394 ( 0.000 0.000 0.000) 0.000 19.236 ( 0.000 0.000 0.000) 0.000 19.412 ( 0.000 0.000 0.000) 0.000 19.415 ( 0.000 0.000 0.000) 0.000 19.494 ( 0.000 0.000 0.000) 0.000 19.548 ( 0.000 0.000 0.000) 0.000 19.608 ( 0.000 0.000 0.000) 0.000 20.015 ( 0.000 0.000 0.000) 0.000 20.105 ( 0.000 0.000 0.000) 0.000 24.028 ( 0.000 0.000 0.000) 0.000 24.056 ( 0.000 0.000 0.000) 0.000 24.823 ( 0.000 0.000 0.000) 0.000 24.860 ( 0.000 0.000 0.000) 0.000 31.422 ( 0.000 0.000 0.000) 0.000 31.443 ( 0.000 0.000 0.000) 0.000 31.491 ( 0.000 0.000 0.000) 0.000 31.538 ( 0.000 0.000 0.000) 0.000 40.740 ( 0.000 0.000 0.000) 0.000 41.273 ( 0.000 0.000 0.000) 0.000 41.309 ( 0.000 0.000 0.000) 0.000 41.555 ( 0.000 0.000 0.000) 0.000 41.706 ( 0.000 0.000 0.000) 0.000 41.812 ( 0.000 0.000 0.000) 0.000 41.968 ( 0.000 0.000 0.000) 0.000 44.308 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( 16.249 0.000 0.000) 16.249 0.418 ( 19.766 0.000 0.000) 19.766 0.649 ( 31.053 0.000 0.000) 31.053 0.873 ( 3.330 0.000 0.000) 3.330 1.612 ( -6.882 0.000 0.000) 6.882 1.688 ( -2.390 0.000 0.000) 2.390 1.690 ( -2.468 0.000 0.000) 2.468 1.794 ( -2.776 0.000 0.000) 2.776 2.034 ( -3.791 0.000 0.000) 3.791 2.101 ( 10.488 0.000 0.000) 10.488 2.419 ( 0.912 0.000 0.000) 0.912 2.519 ( 5.394 0.000 0.000) 5.394 2.797 ( -0.869 0.000 0.000) 0.869 3.050 ( -9.619 0.000 0.000) 9.619 3.225 ( -4.621 0.000 0.000) 4.621 3.295 ( -1.026 0.000 0.000) 1.026 3.466 ( -2.206 0.000 0.000) 2.206 3.482 ( -2.935 0.000 0.000) 2.935 3.994 ( 8.725 0.000 0.000) 8.725 4.204 ( -2.391 0.000 0.000) 2.391 4.266 ( -1.380 0.000 0.000) 1.380 4.479 ( -5.926 0.000 0.000) 5.926 4.649 ( 5.452 0.000 0.000) 5.452 4.769 ( 1.177 0.000 0.000) 1.177 4.775 ( 7.900 0.000 0.000) 7.900 4.788 ( 6.994 0.000 0.000) 6.994 5.243 ( -0.740 0.000 0.000) 0.740 5.371 ( 0.333 0.000 0.000) 0.333 5.517 ( 2.178 0.000 0.000) 2.178 5.968 ( -2.061 0.000 0.000) 2.061 6.413 ( -6.926 0.000 0.000) 6.926 6.770 ( -6.125 0.000 0.000) 6.125 6.890 ( 2.828 0.000 0.000) 2.828 7.061 ( 0.234 0.000 0.000) 0.234 7.377 ( -1.597 0.000 0.000) 1.597 7.393 ( -0.249 0.000 0.000) 0.249 19.247 ( 1.055 0.000 0.000) 1.055 19.420 ( 0.795 0.000 0.000) 0.795 19.422 ( 0.712 0.000 0.000) 0.712 19.500 ( 0.504 0.000 0.000) 0.504 19.534 ( -1.256 0.000 0.000) 1.256 19.602 ( -0.644 0.000 0.000) 0.644 20.009 ( -0.453 0.000 0.000) 0.453 20.097 ( -0.830 0.000 0.000) 0.830 24.092 ( 3.419 0.000 0.000) 3.419 24.206 ( 2.644 0.000 0.000) 2.644 24.802 ( -2.053 0.000 0.000) 2.053 24.834 ( -2.478 0.000 0.000) 2.478 31.426 ( 0.368 0.000 0.000) 0.368 31.479 ( -0.192 0.000 0.000) 0.192 31.491 ( -0.000 0.000 0.000) 0.000 31.535 ( -0.289 0.000 0.000) 0.289 40.773 ( 3.186 0.000 0.000) 3.186 41.302 ( 2.744 0.000 0.000) 2.744 41.361 ( 4.396 0.000 0.000) 4.396 41.614 ( 5.833 0.000 0.000) 5.833 41.663 ( -4.095 0.000 0.000) 4.095 41.798 ( -1.358 0.000 0.000) 1.358 41.947 ( -2.082 0.000 0.000) 2.082 44.178 ( -12.358 0.000 0.000) 12.358 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 15.101 0.000 0.000) 15.101 0.806 ( 17.584 0.000 0.000) 17.584 0.967 ( 5.515 0.000 0.000) 5.515 1.269 ( 28.616 0.000 0.000) 28.616 1.497 ( -3.629 0.000 0.000) 3.629 1.614 ( -4.714 0.000 0.000) 4.714 1.615 ( -4.769 0.000 0.000) 4.769 1.708 ( -5.433 0.000 0.000) 5.433 1.924 ( -6.400 0.000 0.000) 6.400 2.337 ( 11.934 0.000 0.000) 11.934 2.448 ( 1.998 0.000 0.000) 1.998 2.672 ( 8.819 0.000 0.000) 8.819 2.792 ( 0.625 0.000 0.000) 0.625 2.852 ( -8.426 0.000 0.000) 8.426 3.081 ( -9.308 0.000 0.000) 9.308 3.259 ( -2.474 0.000 0.000) 2.474 3.381 ( -6.283 0.000 0.000) 6.283 3.388 ( -6.269 0.000 0.000) 6.269 4.141 ( 4.611 0.000 0.000) 4.611 4.159 ( -1.417 0.000 0.000) 1.417 4.230 ( -1.918 0.000 0.000) 1.918 4.358 ( -5.532 0.000 0.000) 5.532 4.781 ( 6.788 0.000 0.000) 6.788 4.801 ( 1.853 0.000 0.000) 1.853 4.934 ( 6.836 0.000 0.000) 6.836 5.021 ( 14.767 0.000 0.000) 14.767 5.221 ( -1.348 0.000 0.000) 1.348 5.405 ( 3.959 0.000 0.000) 3.959 5.585 ( 4.421 0.000 0.000) 4.421 5.899 ( -4.718 0.000 0.000) 4.718 6.239 ( -9.402 0.000 0.000) 9.402 6.584 ( -11.743 0.000 0.000) 11.743 6.955 ( 3.374 0.000 0.000) 3.374 7.074 ( 1.022 0.000 0.000) 1.022 7.332 ( -2.701 0.000 0.000) 2.701 7.377 ( -1.471 0.000 0.000) 1.471 19.279 ( 1.978 0.000 0.000) 1.978 19.443 ( 1.366 0.000 0.000) 1.366 19.444 ( 1.322 0.000 0.000) 1.322 19.498 ( -2.229 0.000 0.000) 2.229 19.511 ( 0.475 0.000 0.000) 0.475 19.582 ( -1.260 0.000 0.000) 1.260 20.000 ( -0.389 0.000 0.000) 0.389 20.073 ( -1.410 0.000 0.000) 1.410 24.191 ( 6.076 0.000 0.000) 6.076 24.283 ( 4.768 0.000 0.000) 4.768 24.739 ( -3.982 0.000 0.000) 3.982 24.759 ( -4.703 0.000 0.000) 4.703 31.437 ( 0.711 0.000 0.000) 0.711 31.475 ( -0.175 0.000 0.000) 0.175 31.491 ( -0.053 0.000 0.000) 0.053 31.525 ( -0.628 0.000 0.000) 0.628 40.869 ( 5.981 0.000 0.000) 5.981 41.383 ( 5.025 0.000 0.000) 5.025 41.454 ( 4.181 0.000 0.000) 4.181 41.545 ( -7.118 0.000 0.000) 7.118 41.757 ( -2.583 0.000 0.000) 2.583 41.830 ( 15.332 0.000 0.000) 15.332 41.882 ( -4.238 0.000 0.000) 4.238 43.818 ( -21.816 0.000 0.000) 21.816 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 12.159 0.000 0.000) 12.159 1.085 ( 5.365 0.000 0.000) 5.365 1.135 ( 14.200 0.000 0.000) 14.200 1.476 ( 1.720 0.000 0.000) 1.720 1.500 ( -5.951 0.000 0.000) 5.951 1.503 ( -5.673 0.000 0.000) 5.673 1.564 ( -7.247 0.000 0.000) 7.247 1.700 ( -1.041 0.000 0.000) 1.041 1.909 ( 17.994 0.000 0.000) 17.994 2.502 ( 3.175 0.000 0.000) 3.175 2.549 ( 4.948 0.000 0.000) 4.948 2.690 ( -6.293 0.000 0.000) 6.293 2.857 ( 8.387 0.000 0.000) 8.387 2.862 ( 5.312 0.000 0.000) 5.312 2.872 ( -7.578 0.000 0.000) 7.578 3.190 ( -4.241 0.000 0.000) 4.241 3.212 ( -9.549 0.000 0.000) 9.549 3.226 ( -9.017 0.000 0.000) 9.017 4.153 ( 0.658 0.000 0.000) 0.658 4.187 ( 0.337 0.000 0.000) 0.337 4.198 ( -0.879 0.000 0.000) 0.879 4.259 ( -3.910 0.000 0.000) 3.910 4.844 ( 2.203 0.000 0.000) 2.203 4.883 ( 2.295 0.000 0.000) 2.295 5.057 ( 4.952 0.000 0.000) 4.952 5.188 ( -1.935 0.000 0.000) 1.935 5.326 ( 13.645 0.000 0.000) 13.645 5.584 ( 13.908 0.000 0.000) 13.908 5.699 ( 6.633 0.000 0.000) 6.633 5.770 ( -7.874 0.000 0.000) 7.874 6.041 ( -9.474 0.000 0.000) 9.474 6.293 ( -16.190 0.000 0.000) 16.190 7.027 ( 3.466 0.000 0.000) 3.466 7.100 ( 1.067 0.000 0.000) 1.067 7.278 ( -2.006 0.000 0.000) 2.006 7.332 ( -2.801 0.000 0.000) 2.801 19.327 ( 2.642 0.000 0.000) 2.642 19.445 ( -2.804 0.000 0.000) 2.804 19.473 ( 1.504 0.000 0.000) 1.504 19.476 ( 1.733 0.000 0.000) 1.733 19.515 ( -0.215 0.000 0.000) 0.215 19.551 ( -1.705 0.000 0.000) 1.705 19.998 ( 0.301 0.000 0.000) 0.301 20.042 ( -1.547 0.000 0.000) 1.547 24.334 ( 7.490 0.000 0.000) 7.490 24.396 ( 6.000 0.000 0.000) 6.000 24.636 ( -6.184 0.000 0.000) 6.184 24.647 ( -5.784 0.000 0.000) 5.784 31.454 ( 0.866 0.000 0.000) 0.866 31.472 ( -0.076 0.000 0.000) 0.076 31.490 ( -0.027 0.000 0.000) 0.027 31.510 ( -0.856 0.000 0.000) 0.856 41.015 ( 8.026 0.000 0.000) 8.026 41.379 ( -8.758 0.000 0.000) 8.758 41.503 ( 6.453 0.000 0.000) 6.453 41.536 ( 3.888 0.000 0.000) 3.888 41.693 ( -3.482 0.000 0.000) 3.482 41.775 ( -5.968 0.000 0.000) 5.968 42.230 ( 22.874 0.000 0.000) 22.874 43.309 ( -26.705 0.000 0.000) 26.705 ======================= Grid point 4 (5/120) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -3.422 0.000 0.000) 3.422 1.128 ( 3.422 0.000 0.000) 3.422 1.386 ( -10.125 0.000 0.000) 10.125 1.386 ( 10.125 0.000 0.000) 10.125 1.421 ( -0.375 0.000 0.000) 0.375 1.421 ( 0.375 0.000 0.000) 0.375 1.567 ( -6.740 0.000 0.000) 6.740 1.567 ( 6.740 0.000 0.000) 6.740 2.350 ( -19.370 0.000 0.000) 19.370 2.350 ( 19.370 0.000 0.000) 19.370 2.580 ( -4.475 0.000 0.000) 4.475 2.580 ( 4.475 0.000 0.000) 4.475 2.928 ( -5.467 0.000 0.000) 5.467 2.928 ( 5.467 0.000 0.000) 5.467 3.014 ( -9.041 0.000 0.000) 9.041 3.014 ( 9.041 0.000 0.000) 9.041 3.104 ( -1.716 0.000 0.000) 1.716 3.104 ( 1.716 0.000 0.000) 1.716 4.175 ( -1.144 0.000 0.000) 1.144 4.175 ( 1.144 0.000 0.000) 1.144 4.203 ( -1.449 0.000 0.000) 1.449 4.203 ( 1.449 0.000 0.000) 1.449 4.885 ( -1.466 0.000 0.000) 1.466 4.885 ( 1.466 0.000 0.000) 1.466 5.138 ( -2.999 0.000 0.000) 2.999 5.138 ( 2.999 0.000 0.000) 2.999 5.576 ( -10.786 0.000 0.000) 10.786 5.576 ( 10.786 0.000 0.000) 10.786 5.856 ( -8.408 0.000 0.000) 8.408 5.856 ( 8.408 0.000 0.000) 8.408 5.932 ( -18.219 0.000 0.000) 18.219 5.932 ( 18.219 0.000 0.000) 18.219 7.090 ( -2.228 0.000 0.000) 2.228 7.090 ( 2.228 0.000 0.000) 2.228 7.276 ( -1.947 0.000 0.000) 1.947 7.276 ( 1.948 0.000 0.000) 1.948 19.385 ( -2.939 0.000 0.000) 2.939 19.385 ( 2.939 0.000 0.000) 2.939 19.501 ( -1.071 0.000 0.000) 1.071 19.501 ( 1.071 0.000 0.000) 1.071 19.513 ( -1.872 0.000 0.000) 1.872 19.513 ( 1.872 0.000 0.000) 1.872 20.013 ( -1.132 0.000 0.000) 1.132 20.013 ( 1.132 0.000 0.000) 1.132 24.491 ( -7.555 0.000 0.000) 7.555 24.491 ( 7.555 0.000 0.000) 7.555 24.524 ( -6.209 0.000 0.000) 6.209 24.524 ( 6.209 0.000 0.000) 6.209 31.469 ( -0.399 0.000 0.000) 0.399 31.469 ( 0.399 0.000 0.000) 0.399 31.494 ( -0.529 0.000 0.000) 0.529 31.494 ( 0.529 0.000 0.000) 0.529 41.193 ( -9.022 0.000 0.000) 9.022 41.193 ( 9.022 0.000 0.000) 9.022 41.616 ( -3.887 0.000 0.000) 3.887 41.616 ( 3.887 0.000 0.000) 3.887 41.642 ( -6.780 0.000 0.000) 6.780 41.642 ( 6.780 0.000 0.000) 6.780 42.749 ( -26.840 0.000 0.000) 26.840 42.749 ( 26.840 0.000 0.000) 26.840 ======================= Grid point 9 (6/120) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 0.000 15.819 0.000) 15.819 0.383 ( 0.000 20.083 0.000) 20.083 0.829 ( 0.000 40.506 0.000) 40.506 1.023 ( 0.000 16.026 0.000) 16.026 1.717 ( 0.000 0.912 0.000) 0.912 1.751 ( 0.000 2.530 0.000) 2.530 1.786 ( 0.000 6.530 0.000) 6.530 1.840 ( 0.000 1.546 0.000) 1.546 1.942 ( 0.000 -1.607 0.000) 1.607 2.051 ( 0.000 -1.990 0.000) 1.990 2.515 ( 0.000 5.727 0.000) 5.727 2.518 ( 0.000 10.559 0.000) 10.559 2.992 ( 0.000 1.182 0.000) 1.182 3.213 ( 0.000 -6.119 0.000) 6.119 3.228 ( 0.000 -4.132 0.000) 4.132 3.301 ( 0.000 10.024 0.000) 10.024 3.531 ( 0.000 1.361 0.000) 1.361 3.670 ( 0.000 14.899 0.000) 14.899 3.678 ( 0.000 1.827 0.000) 1.827 4.170 ( 0.000 -4.399 0.000) 4.399 4.243 ( 0.000 -3.533 0.000) 3.533 4.632 ( 0.000 -1.837 0.000) 1.837 4.644 ( 0.000 6.459 0.000) 6.459 4.690 ( 0.000 9.916 0.000) 9.916 4.718 ( 0.000 2.014 0.000) 2.014 4.893 ( 0.000 10.130 0.000) 10.130 5.218 ( 0.000 -4.441 0.000) 4.441 5.373 ( 0.000 0.421 0.000) 0.421 5.421 ( 0.000 -7.560 0.000) 7.560 5.973 ( 0.000 -1.760 0.000) 1.760 6.456 ( 0.000 -3.665 0.000) 3.665 6.723 ( 0.000 -10.616 0.000) 10.616 7.025 ( 0.000 -2.944 0.000) 2.944 7.267 ( 0.000 -2.268 0.000) 2.268 7.359 ( 0.000 -0.682 0.000) 0.682 7.411 ( 0.000 1.333 0.000) 1.333 19.276 ( 0.000 4.054 0.000) 4.054 19.426 ( 0.000 1.446 0.000) 1.446 19.462 ( 0.000 4.626 0.000) 4.626 19.511 ( 0.000 1.753 0.000) 1.753 19.606 ( 0.000 -0.235 0.000) 0.235 19.694 ( 0.000 0.993 0.000) 0.993 20.007 ( 0.000 -0.760 0.000) 0.760 20.072 ( 0.000 -3.122 0.000) 3.122 24.027 ( 0.000 -0.051 0.000) 0.051 24.054 ( 0.000 -0.187 0.000) 0.187 24.823 ( 0.000 -0.022 0.000) 0.022 24.858 ( 0.000 -0.204 0.000) 0.204 31.410 ( 0.000 -1.246 0.000) 1.246 31.439 ( 0.000 -0.378 0.000) 0.378 31.483 ( 0.000 -0.890 0.000) 0.890 31.529 ( 0.000 -0.826 0.000) 0.826 40.770 ( 0.000 2.909 0.000) 2.909 41.276 ( 0.000 0.188 0.000) 0.188 41.306 ( 0.000 -0.325 0.000) 0.325 41.446 ( 0.000 -5.822 0.000) 5.822 41.804 ( 0.000 -0.584 0.000) 0.584 41.935 ( 0.000 17.819 0.000) 17.819 44.166 ( 0.000 -14.272 0.000) 14.272 44.535 ( 0.000 -3.176 0.000) 3.176 ======================= Grid point 10 (7/120) ======================= q-point: ( 0.12 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 13.044 10.592 0.000) 16.803 0.560 ( 14.050 13.072 0.000) 19.191 1.008 ( 16.821 30.350 0.000) 34.700 1.050 ( 2.499 15.475 0.000) 15.676 1.622 ( -6.852 1.178 0.000) 6.953 1.715 ( -2.206 2.319 0.000) 3.201 1.725 ( -5.342 2.904 0.000) 6.080 1.760 ( -5.068 1.676 0.000) 5.339 2.024 ( -2.400 -0.277 0.000) 2.416 2.075 ( 9.472 -2.391 0.000) 9.769 2.450 ( -0.611 3.640 0.000) 3.691 2.532 ( 1.399 10.830 0.000) 10.920 3.141 ( 3.816 11.889 0.000) 12.487 3.165 ( -4.282 -5.907 0.000) 7.296 3.209 ( -4.419 11.823 0.000) 12.622 3.213 ( -1.916 -3.922 0.000) 4.365 3.475 ( -4.786 0.777 0.000) 4.848 3.672 ( -0.068 16.111 0.000) 16.111 3.874 ( 14.333 -4.763 0.000) 15.103 4.150 ( -1.851 -3.795 0.000) 4.223 4.250 ( -0.628 -2.013 0.000) 2.109 4.553 ( -5.414 4.564 0.000) 7.081 4.713 ( 5.314 6.224 0.000) 8.184 4.720 ( 1.911 1.771 0.000) 2.605 4.783 ( 6.779 0.729 0.000) 6.818 4.953 ( 4.716 10.820 0.000) 11.803 5.213 ( -0.190 -4.102 0.000) 4.106 5.360 ( -0.434 0.215 0.000) 0.484 5.439 ( 1.757 -7.932 0.000) 8.124 5.954 ( -1.853 -1.596 0.000) 2.446 6.381 ( -6.622 -3.198 0.000) 7.354 6.669 ( -5.182 -9.824 0.000) 11.107 7.032 ( 0.651 -2.516 0.000) 2.599 7.112 ( -8.400 9.416 0.000) 12.619 7.354 ( -0.234 -3.318 0.000) 3.326 7.384 ( -2.554 0.495 0.000) 2.601 19.286 ( 0.959 3.952 0.000) 4.066 19.430 ( 0.435 1.199 0.000) 1.276 19.455 ( -0.423 2.980 0.000) 3.010 19.528 ( 1.328 3.082 0.000) 3.356 19.591 ( -1.880 0.859 0.000) 2.067 19.628 ( -3.233 3.368 0.000) 4.668 20.003 ( -0.376 -0.676 0.000) 0.774 20.068 ( -0.442 -2.747 0.000) 2.782 24.089 ( 3.474 -0.289 0.000) 3.486 24.120 ( 6.214 -3.644 0.000) 7.204 24.801 ( -2.069 -0.038 0.000) 2.070 24.832 ( -2.466 -0.189 0.000) 2.473 31.413 ( 0.354 -1.258 0.000) 1.307 31.454 ( 0.894 -1.375 0.000) 1.640 31.483 ( 0.018 -0.869 0.000) 0.869 31.517 ( -0.931 -1.029 0.000) 1.388 40.807 ( 3.607 3.318 0.000) 4.901 41.309 ( 3.119 0.571 0.000) 3.171 41.348 ( 3.389 -1.128 0.000) 3.571 41.496 ( 5.160 -5.173 0.000) 7.306 41.789 ( -1.398 -0.638 0.000) 1.537 41.907 ( -2.491 16.993 0.000) 17.175 43.357 ( -64.757 62.950 0.000) 90.312 44.043 ( -11.653 -13.525 0.000) 17.852 ======================= Grid point 11 (8/120) ======================= q-point: ( 0.25 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 12.297 7.225 0.000) 14.262 0.873 ( 15.288 7.130 0.000) 16.869 1.112 ( 3.088 12.471 0.000) 12.847 1.439 ( 22.495 16.361 0.000) 27.816 1.512 ( -3.013 2.110 0.000) 3.678 1.592 ( -6.869 -1.934 0.000) 7.136 1.646 ( -4.505 2.848 0.000) 5.330 1.669 ( -4.126 -0.430 0.000) 4.148 1.953 ( -4.267 3.692 0.000) 5.643 2.283 ( 10.235 -4.415 0.000) 11.147 2.489 ( 3.530 -1.272 0.000) 3.753 2.581 ( 3.453 11.443 0.000) 11.953 3.035 ( -8.312 -4.824 0.000) 9.611 3.038 ( -6.321 17.544 0.000) 18.647 3.145 ( -4.723 -3.227 0.000) 5.720 3.267 ( 4.356 21.812 0.000) 22.243 3.347 ( -7.566 -2.860 0.000) 8.089 3.654 ( -1.887 19.284 0.000) 19.376 4.104 ( -2.244 -3.638 0.000) 4.274 4.128 ( 8.274 -1.500 0.000) 8.409 4.206 ( -2.398 -0.995 0.000) 2.596 4.447 ( -4.587 6.597 0.000) 8.035 4.770 ( 2.911 -0.849 0.000) 3.032 4.827 ( 5.687 4.472 0.000) 7.235 4.984 ( 10.767 -3.405 0.000) 11.292 5.054 ( 4.612 9.754 0.000) 10.789 5.229 ( 2.428 0.364 0.000) 2.455 5.384 ( 3.487 -1.831 0.000) 3.938 5.491 ( 3.054 -9.216 0.000) 9.709 5.897 ( -3.580 -0.672 0.000) 3.642 6.215 ( -8.861 -2.385 0.000) 9.177 6.511 ( -10.183 -7.483 0.000) 12.637 7.016 ( -1.604 4.798 0.000) 5.059 7.052 ( 1.255 -1.833 0.000) 2.221 7.315 ( -3.814 -1.498 0.000) 4.098 7.339 ( -1.318 -3.574 0.000) 3.809 19.315 ( 1.798 3.654 0.000) 4.072 19.445 ( 0.970 0.447 0.000) 1.068 19.451 ( 0.099 1.057 0.000) 1.061 19.533 ( -3.021 2.775 0.000) 4.102 19.555 ( 1.107 4.082 0.000) 4.229 19.593 ( -1.085 1.177 0.000) 1.601 19.995 ( -0.252 -0.436 0.000) 0.503 20.054 ( -0.854 -1.786 0.000) 1.979 24.190 ( 6.109 -0.183 0.000) 6.112 24.247 ( 6.216 -2.738 0.000) 6.792 24.738 ( -4.015 -0.094 0.000) 4.016 24.758 ( -4.709 -0.167 0.000) 4.712 31.424 ( 0.676 -1.306 0.000) 1.470 31.466 ( 0.300 -0.947 0.000) 0.994 31.483 ( -0.034 -0.817 0.000) 0.818 31.499 ( -0.762 -1.893 0.000) 2.041 40.916 ( 6.872 4.586 0.000) 8.261 41.402 ( 5.776 1.744 0.000) 6.034 41.420 ( 3.484 -2.428 0.000) 4.247 41.617 ( 2.247 1.580 0.000) 2.747 41.748 ( -2.528 -0.695 0.000) 2.622 41.887 ( 4.434 9.714 0.000) 10.678 42.458 ( -26.814 44.536 0.000) 51.985 43.704 ( -20.574 -11.464 0.000) 23.553 ======================= Grid point 12 (9/120) ======================= q-point: ( 0.38 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 10.433 4.079 0.000) 11.202 1.157 ( 4.296 5.305 0.000) 6.826 1.170 ( 9.976 3.903 0.000) 10.713 1.457 ( -5.204 -3.205 0.000) 6.112 1.516 ( 1.530 5.012 0.000) 5.240 1.535 ( -4.158 3.629 0.000) 5.519 1.561 ( -6.321 0.777 0.000) 6.369 1.764 ( -1.492 6.302 0.000) 6.476 1.986 ( 16.686 8.087 0.000) 18.542 2.463 ( 5.288 -3.487 0.000) 6.334 2.578 ( 4.776 -4.975 0.000) 6.896 2.678 ( 5.086 9.947 0.000) 11.172 2.838 ( -8.541 -3.511 0.000) 9.234 2.932 ( -3.705 19.727 0.000) 20.071 3.026 ( -6.337 -0.361 0.000) 6.347 3.156 ( -10.422 -2.934 0.000) 10.827 3.374 ( 5.546 23.255 0.000) 23.907 3.591 ( -4.163 22.643 0.000) 23.022 4.070 ( -0.921 -4.834 0.000) 4.921 4.118 ( -3.134 -3.047 0.000) 4.371 4.269 ( 3.587 4.235 0.000) 5.550 4.370 ( -2.853 7.767 0.000) 8.274 4.836 ( 3.349 -0.527 0.000) 3.390 4.911 ( 1.535 2.330 0.000) 2.791 5.133 ( 2.973 7.029 0.000) 7.632 5.143 ( 4.108 -5.112 0.000) 6.558 5.327 ( 6.577 1.149 0.000) 6.677 5.543 ( 0.792 -11.624 0.000) 11.650 5.560 ( 13.916 -2.454 0.000) 14.130 5.826 ( -2.133 1.639 0.000) 2.690 6.035 ( -8.191 -0.876 0.000) 8.238 6.253 ( -14.512 -4.185 0.000) 15.104 7.019 ( 1.457 -0.466 0.000) 1.530 7.076 ( 0.675 -1.958 0.000) 2.071 7.245 ( -2.255 -3.020 0.000) 3.769 7.298 ( -2.597 -3.273 0.000) 4.178 19.359 ( 2.418 3.205 0.000) 4.015 19.459 ( 0.523 -0.391 0.000) 0.653 19.464 ( 0.543 -0.610 0.000) 0.816 19.472 ( -2.750 2.647 0.000) 3.817 19.569 ( 0.267 4.173 0.000) 4.181 19.575 ( -0.622 2.086 0.000) 2.176 19.996 ( 0.397 -0.153 0.000) 0.425 20.034 ( -1.110 -0.766 0.000) 1.349 24.333 ( 7.520 -0.113 0.000) 7.521 24.379 ( 6.606 -1.450 0.000) 6.764 24.635 ( -6.116 -0.074 0.000) 6.116 24.644 ( -5.979 -0.334 0.000) 5.989 31.440 ( 0.868 -1.380 0.000) 1.631 31.468 ( -0.136 -0.477 0.000) 0.496 31.481 ( -0.103 -0.804 0.000) 0.810 31.485 ( -0.540 -2.161 0.000) 2.228 41.086 ( 9.428 6.758 0.000) 11.600 41.490 ( 1.232 0.508 0.000) 1.332 41.518 ( -6.872 7.677 0.000) 10.303 41.536 ( 6.421 2.913 0.000) 7.051 41.695 ( -1.834 0.475 0.000) 1.894 41.983 ( -8.835 15.341 0.000) 17.703 42.250 ( 14.894 5.302 0.000) 15.809 43.224 ( -25.133 -8.491 0.000) 26.529 ======================= Grid point 13 (10/120) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -3.136 1.538 0.000) 3.493 1.156 ( 3.136 1.538 0.000) 3.493 1.395 ( -8.278 2.962 0.000) 8.792 1.395 ( 8.278 2.962 0.000) 8.792 1.423 ( -1.404 -0.764 0.000) 1.598 1.423 ( 1.404 -0.764 0.000) 1.598 1.640 ( -7.057 7.927 0.000) 10.613 1.640 ( 7.057 7.927 0.000) 10.613 2.363 ( -15.242 2.072 0.000) 15.382 2.363 ( 15.242 2.072 0.000) 15.382 2.656 ( -2.319 -0.680 0.000) 2.417 2.656 ( 2.319 -0.680 0.000) 2.417 2.899 ( -2.688 10.997 0.000) 11.321 2.899 ( 2.688 10.997 0.000) 11.321 2.942 ( -5.540 -2.358 0.000) 6.021 2.942 ( 5.540 -2.358 0.000) 6.021 3.490 ( -5.448 24.106 0.000) 24.714 3.490 ( 5.448 24.106 0.000) 24.714 4.072 ( -1.202 -4.842 0.000) 4.989 4.072 ( 1.202 -4.842 0.000) 4.989 4.322 ( -2.084 7.200 0.000) 7.495 4.322 ( 2.084 7.200 0.000) 7.495 4.897 ( -2.256 0.627 0.000) 2.342 4.897 ( 2.256 0.627 0.000) 2.342 5.172 ( -0.626 3.032 0.000) 3.096 5.172 ( 0.626 3.032 0.000) 3.096 5.477 ( -6.669 -8.362 0.000) 10.696 5.477 ( 6.669 -8.362 0.000) 10.696 5.832 ( -2.663 -2.809 0.000) 3.871 5.832 ( 2.663 -2.809 0.000) 3.871 5.953 ( -9.080 1.302 0.000) 9.173 5.953 ( 9.080 1.302 0.000) 9.173 7.060 ( -2.039 -2.573 0.000) 3.283 7.060 ( 2.039 -2.573 0.000) 3.283 7.245 ( -1.987 -2.983 0.000) 3.584 7.245 ( 1.987 -2.983 0.000) 3.584 19.413 ( -2.768 2.726 0.000) 3.885 19.413 ( 2.768 2.726 0.000) 3.885 19.468 ( -0.271 -1.062 0.000) 1.096 19.468 ( 0.271 -1.062 0.000) 1.096 19.570 ( -0.065 3.519 0.000) 3.520 19.570 ( 0.065 3.519 0.000) 3.520 20.011 ( -0.990 -0.172 0.000) 1.005 20.011 ( 0.990 -0.172 0.000) 1.005 24.491 ( -7.574 -0.062 0.000) 7.574 24.491 ( 7.574 -0.062 0.000) 7.574 24.516 ( -6.490 -0.727 0.000) 6.530 24.516 ( 6.490 -0.727 0.000) 6.530 31.458 ( -0.767 -1.233 0.000) 1.452 31.458 ( 0.767 -1.233 0.000) 1.452 31.480 ( -0.001 -1.128 0.000) 1.128 31.480 ( 0.001 -1.128 0.000) 1.128 41.297 ( -10.740 9.525 0.000) 14.355 41.297 ( 10.740 9.525 0.000) 14.355 41.569 ( -2.828 -1.975 0.000) 3.449 41.569 ( 2.828 -1.975 0.000) 3.449 41.771 ( -8.970 9.877 0.000) 13.342 41.771 ( 8.970 9.877 0.000) 13.342 42.700 ( -24.880 -4.749 0.000) 25.330 42.700 ( 24.880 -4.749 0.000) 25.330 ======================= Grid point 18 (11/120) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.000 16.036 0.000) 16.036 0.775 ( 0.000 20.110 0.000) 20.110 1.342 ( 0.000 15.157 0.000) 15.157 1.487 ( 0.000 23.537 0.000) 23.537 1.757 ( 0.000 3.371 0.000) 3.371 1.809 ( 0.000 3.218 0.000) 3.218 1.860 ( 0.000 -0.865 0.000) 0.865 1.903 ( 0.000 -2.125 0.000) 2.125 1.919 ( 0.000 6.149 0.000) 6.149 2.065 ( 0.000 8.594 0.000) 8.594 2.688 ( 0.000 11.740 0.000) 11.740 2.776 ( 0.000 14.194 0.000) 14.194 3.023 ( 0.000 1.856 0.000) 1.856 3.052 ( 0.000 -9.142 0.000) 9.142 3.182 ( 0.000 -0.500 0.000) 0.500 3.375 ( 0.000 -0.876 0.000) 0.876 3.697 ( 0.000 12.322 0.000) 12.322 3.715 ( 0.000 1.598 0.000) 1.598 3.986 ( 0.000 14.516 0.000) 14.516 4.119 ( 0.000 1.602 0.000) 1.602 4.169 ( 0.000 -3.475 0.000) 3.475 4.615 ( 0.000 -0.963 0.000) 0.963 4.763 ( 0.000 2.485 0.000) 2.485 4.836 ( 0.000 12.831 0.000) 12.831 4.883 ( 0.000 8.900 0.000) 8.900 5.075 ( 0.000 -10.231 0.000) 10.231 5.105 ( 0.000 10.985 0.000) 10.985 5.209 ( 0.000 -13.692 0.000) 13.692 5.386 ( 0.000 0.984 0.000) 0.984 5.911 ( 0.000 -4.852 0.000) 4.852 6.358 ( 0.000 -6.207 0.000) 6.207 6.461 ( 0.000 -15.430 0.000) 15.430 6.986 ( 0.000 0.053 0.000) 0.053 7.218 ( 0.000 -2.318 0.000) 2.318 7.341 ( 0.000 -1.054 0.000) 1.054 7.433 ( 0.000 0.789 0.000) 0.789 19.384 ( 0.000 6.673 0.000) 6.673 19.463 ( 0.000 2.124 0.000) 2.124 19.562 ( 0.000 3.508 0.000) 3.508 19.576 ( 0.000 6.452 0.000) 6.452 19.599 ( 0.000 -0.523 0.000) 0.523 19.721 ( 0.000 1.745 0.000) 1.745 19.986 ( 0.000 -1.340 0.000) 1.340 19.997 ( 0.000 -4.223 0.000) 4.223 24.026 ( 0.000 -0.064 0.000) 0.064 24.049 ( 0.000 -0.327 0.000) 0.327 24.822 ( 0.000 -0.016 0.000) 0.016 24.852 ( 0.000 -0.365 0.000) 0.365 31.379 ( 0.000 -1.717 0.000) 1.717 31.430 ( 0.000 -0.545 0.000) 0.545 31.458 ( 0.000 -1.630 0.000) 1.630 31.507 ( 0.000 -1.418 0.000) 1.418 40.846 ( 0.000 4.700 0.000) 4.700 41.273 ( 0.000 -0.787 0.000) 0.787 41.297 ( 0.000 -0.497 0.000) 0.497 41.361 ( 0.000 -3.186 0.000) 3.186 41.805 ( 0.000 1.254 0.000) 1.254 42.340 ( 0.000 23.364 0.000) 23.364 43.784 ( 0.000 -24.101 0.000) 24.101 44.441 ( 0.000 -6.631 0.000) 6.631 ======================= Grid point 19 (12/120) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 8.817 12.624 0.000) 15.399 0.865 ( 8.103 17.374 0.000) 19.170 1.363 ( 1.228 15.091 0.000) 15.140 1.536 ( 5.295 18.083 0.000) 18.842 1.661 ( -6.199 2.732 0.000) 6.775 1.755 ( -8.398 -0.288 0.000) 8.403 1.770 ( -1.865 3.200 0.000) 3.704 1.878 ( -3.697 9.446 0.000) 10.144 2.021 ( 7.234 -2.819 0.000) 7.764 2.069 ( 0.383 8.599 0.000) 8.607 2.619 ( -2.435 12.717 0.000) 12.948 2.789 ( 1.226 13.535 0.000) 13.591 3.019 ( -3.167 -7.851 0.000) 8.466 3.178 ( -0.396 0.645 0.000) 0.757 3.216 ( 10.068 -1.504 0.000) 10.180 3.352 ( -0.720 2.622 0.000) 2.719 3.601 ( -4.872 10.692 0.000) 11.750 3.851 ( 9.717 0.822 0.000) 9.751 4.006 ( 1.590 14.758 0.000) 14.843 4.105 ( -1.309 2.006 0.000) 2.395 4.222 ( 3.360 -0.088 0.000) 3.361 4.594 ( -1.886 0.212 0.000) 1.898 4.776 ( 1.745 -1.177 0.000) 2.104 4.828 ( -3.240 6.854 0.000) 7.581 4.888 ( 4.132 9.896 0.000) 10.724 5.094 ( 2.531 -7.045 0.000) 7.486 5.174 ( 3.904 9.095 0.000) 9.897 5.223 ( 2.047 -11.682 0.000) 11.860 5.377 ( -0.674 1.530 0.000) 1.672 5.897 ( -1.301 -4.453 0.000) 4.639 6.296 ( -5.571 -5.358 0.000) 7.729 6.421 ( -3.803 -14.877 0.000) 15.356 6.999 ( 1.128 0.064 0.000) 1.130 7.194 ( -3.050 0.557 0.000) 3.101 7.296 ( -2.822 -1.978 0.000) 3.446 7.392 ( -3.817 0.354 0.000) 3.834 19.391 ( 0.648 6.426 0.000) 6.459 19.461 ( -0.070 1.883 0.000) 1.885 19.523 ( -1.900 3.992 0.000) 4.421 19.595 ( -0.370 -0.100 0.000) 0.383 19.617 ( 2.061 5.539 0.000) 5.910 19.686 ( -2.862 2.681 0.000) 3.922 19.984 ( -0.129 -1.157 0.000) 1.164 20.003 ( 0.446 -3.648 0.000) 3.675 24.076 ( 4.306 -0.798 0.000) 4.379 24.088 ( 3.913 -0.494 0.000) 3.944 24.800 ( -2.111 -0.040 0.000) 2.112 24.827 ( -2.427 -0.335 0.000) 2.450 31.383 ( 0.329 -1.725 0.000) 1.756 31.433 ( 0.328 -0.818 0.000) 0.881 31.459 ( 0.076 -1.589 0.000) 1.591 31.494 ( -1.097 -1.314 0.000) 1.712 40.892 ( 4.510 5.179 0.000) 6.868 41.315 ( 4.083 -0.208 0.000) 4.088 41.323 ( 2.160 -1.220 0.000) 2.481 41.421 ( 6.037 -2.924 0.000) 6.708 41.789 ( -1.534 1.166 0.000) 1.927 42.290 ( -4.619 22.139 0.000) 22.616 43.682 ( -9.751 -22.831 0.000) 24.826 43.979 ( -37.827 11.649 0.000) 39.580 ======================= Grid point 20 (13/120) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 8.286 7.907 0.000) 11.453 1.073 ( 11.172 12.760 0.000) 16.960 1.331 ( -4.741 8.110 0.000) 9.394 1.555 ( -9.563 -1.600 0.000) 9.696 1.618 ( 2.671 9.365 0.000) 9.738 1.688 ( 5.333 4.887 0.000) 7.233 1.706 ( -4.544 3.008 0.000) 5.450 1.830 ( 1.316 14.965 0.000) 15.023 2.080 ( 1.217 11.612 0.000) 11.676 2.181 ( 8.486 -5.874 0.000) 10.321 2.603 ( 0.342 11.608 0.000) 11.613 2.818 ( 0.997 9.122 0.000) 9.177 2.924 ( -5.802 -3.548 0.000) 6.801 3.170 ( -0.037 5.873 0.000) 5.873 3.219 ( -6.092 -4.631 0.000) 7.653 3.410 ( 0.599 13.568 0.000) 13.581 3.557 ( 2.945 9.133 0.000) 9.596 4.021 ( -1.204 9.909 0.000) 9.982 4.073 ( -1.108 7.829 0.000) 7.907 4.079 ( 9.456 -3.549 0.000) 10.100 4.259 ( 1.283 6.946 0.000) 7.063 4.547 ( -2.342 2.892 0.000) 3.722 4.798 ( 0.583 3.632 0.000) 3.678 4.853 ( 5.680 -7.982 0.000) 9.797 4.950 ( 1.357 4.033 0.000) 4.255 5.207 ( 0.469 -7.926 0.000) 7.940 5.227 ( 10.567 -0.644 0.000) 10.587 5.306 ( 4.357 3.943 0.000) 5.876 5.370 ( 0.230 1.852 0.000) 1.866 5.859 ( -2.208 -3.329 0.000) 3.995 6.153 ( -7.649 -3.783 0.000) 8.534 6.308 ( -7.102 -12.794 0.000) 14.634 7.028 ( 1.523 0.004 0.000) 1.523 7.098 ( -4.962 3.361 0.000) 5.993 7.257 ( -1.515 -4.336 0.000) 4.593 7.287 ( -5.860 -0.992 0.000) 5.944 19.409 ( 1.129 5.570 0.000) 5.683 19.461 ( 0.042 1.148 0.000) 1.149 19.492 ( -1.045 3.346 0.000) 3.506 19.579 ( -1.403 1.653 0.000) 2.168 19.631 ( -1.761 2.903 0.000) 3.395 19.649 ( 0.936 5.075 0.000) 5.160 19.984 ( 0.185 -0.632 0.000) 0.659 20.012 ( 0.370 -2.394 0.000) 2.423 24.184 ( 6.243 -0.398 0.000) 6.255 24.204 ( 6.732 -1.481 0.000) 6.893 24.736 ( -4.114 -0.128 0.000) 4.116 24.753 ( -4.683 -0.270 0.000) 4.690 31.393 ( 0.606 -1.764 0.000) 1.865 31.441 ( 0.362 -1.345 0.000) 1.393 31.460 ( 0.059 -1.474 0.000) 1.475 31.469 ( -1.160 -1.241 0.000) 1.699 41.029 ( 8.661 6.555 0.000) 10.862 41.380 ( 3.302 -1.568 0.000) 3.655 41.438 ( 7.739 1.619 0.000) 7.907 41.595 ( 9.646 -2.881 0.000) 10.067 41.745 ( -2.527 0.999 0.000) 2.717 42.167 ( -6.363 17.916 0.000) 19.012 43.171 ( -36.374 25.444 0.000) 44.390 43.398 ( -17.167 -19.275 0.000) 25.811 ======================= Grid point 21 (14/120) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 7.721 3.978 0.000) 8.686 1.228 ( -4.011 2.438 0.000) 4.694 1.300 ( 10.247 9.086 0.000) 13.695 1.393 ( -4.949 -2.649 0.000) 5.613 1.584 ( -6.969 2.728 0.000) 7.484 1.660 ( -5.102 7.987 0.000) 9.477 1.716 ( 5.704 12.443 0.000) 13.688 1.896 ( -0.196 6.461 0.000) 6.464 2.193 ( 10.634 12.211 0.000) 16.192 2.369 ( 8.869 -6.000 0.000) 10.708 2.626 ( 1.727 8.783 0.000) 8.951 2.758 ( -7.489 -4.303 0.000) 8.637 2.839 ( -1.230 7.658 0.000) 7.756 3.043 ( -10.186 -5.859 0.000) 11.751 3.197 ( 2.884 15.138 0.000) 15.410 3.366 ( -3.472 21.609 0.000) 21.886 3.675 ( 6.784 5.685 0.000) 8.851 3.946 ( -5.375 4.465 0.000) 6.988 4.070 ( 0.382 12.867 0.000) 12.873 4.130 ( -1.954 3.825 0.000) 4.295 4.359 ( 6.141 5.429 0.000) 8.197 4.502 ( -2.095 4.382 0.000) 4.857 4.842 ( 3.132 2.116 0.000) 3.780 4.935 ( -0.213 -3.955 0.000) 3.960 5.013 ( 6.773 -4.133 0.000) 7.934 5.202 ( -1.255 -10.204 0.000) 10.281 5.375 ( 2.205 4.066 0.000) 4.626 5.382 ( 0.982 3.731 0.000) 3.859 5.496 ( 14.103 -3.353 0.000) 14.496 5.815 ( -1.888 -2.609 0.000) 3.221 6.006 ( -6.026 -2.034 0.000) 6.360 6.130 ( -9.903 -8.332 0.000) 12.942 7.023 ( -1.961 1.135 0.000) 2.266 7.049 ( -0.094 -0.277 0.000) 0.293 7.182 ( -3.235 -2.914 0.000) 4.354 7.220 ( -2.154 -4.305 0.000) 4.814 19.434 ( 1.166 3.535 0.000) 3.722 19.461 ( -0.175 0.400 0.000) 0.437 19.482 ( 0.138 3.582 0.000) 3.584 19.539 ( -2.150 3.885 0.000) 4.440 19.620 ( 0.375 2.529 0.000) 2.557 19.653 ( -0.439 4.123 0.000) 4.146 19.993 ( 0.647 -0.115 0.000) 0.658 20.015 ( -0.108 -1.098 0.000) 1.103 24.329 ( 7.605 -0.239 0.000) 7.609 24.351 ( 7.325 -1.250 0.000) 7.431 24.632 ( -5.880 -0.255 0.000) 5.886 24.637 ( -6.465 -0.295 0.000) 6.471 31.407 ( 0.778 -1.846 0.000) 2.003 31.441 ( -0.663 -2.069 0.000) 2.172 31.455 ( -0.007 -0.881 0.000) 0.881 31.461 ( -0.051 -1.318 0.000) 1.319 41.242 ( 11.703 8.315 0.000) 14.356 41.456 ( 3.915 -1.534 0.000) 4.205 41.594 ( 3.473 2.981 0.000) 4.577 41.699 ( -3.206 6.506 0.000) 7.253 41.728 ( 4.867 3.040 0.000) 5.738 42.120 ( 2.746 4.183 0.000) 5.003 42.564 ( -19.809 20.013 0.000) 28.159 43.001 ( -20.572 -13.876 0.000) 24.814 ======================= Grid point 22 (15/120) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -1.853 1.244 0.000) 2.232 1.175 ( 1.853 1.244 0.000) 2.232 1.400 ( -4.093 -0.916 0.000) 4.194 1.400 ( 4.093 -0.916 0.000) 4.194 1.529 ( -6.280 9.604 0.000) 11.475 1.529 ( 6.280 9.604 0.000) 11.475 1.830 ( -4.972 10.141 0.000) 11.294 1.830 ( 4.972 10.141 0.000) 11.294 2.416 ( -7.484 2.711 0.000) 7.960 2.416 ( 7.484 2.711 0.000) 7.960 2.655 ( -1.012 1.748 0.000) 2.020 2.655 ( 1.012 1.748 0.000) 2.020 2.859 ( -5.285 -1.387 0.000) 5.464 2.859 ( 5.285 -1.387 0.000) 5.464 3.280 ( -4.598 21.064 0.000) 21.560 3.280 ( 4.598 21.064 0.000) 21.560 3.817 ( -6.808 5.020 0.000) 8.459 3.817 ( 6.808 5.020 0.000) 8.459 4.089 ( -1.538 9.515 0.000) 9.639 4.089 ( 1.538 9.515 0.000) 9.639 4.452 ( -3.113 4.967 0.000) 5.862 4.452 ( 3.113 4.967 0.000) 5.862 4.904 ( -2.467 0.734 0.000) 2.574 4.904 ( 2.467 0.734 0.000) 2.574 5.142 ( -4.792 -9.593 0.000) 10.723 5.142 ( 4.792 -9.593 0.000) 10.723 5.396 ( -0.097 3.571 0.000) 3.572 5.396 ( 0.097 3.571 0.000) 3.572 5.748 ( -7.635 -5.545 0.000) 9.436 5.748 ( 7.635 -5.545 0.000) 9.436 5.955 ( -3.520 -1.331 0.000) 3.763 5.955 ( 3.520 -1.331 0.000) 3.763 7.020 ( -1.467 -0.776 0.000) 1.660 7.020 ( 1.467 -0.776 0.000) 1.660 7.176 ( -1.719 -3.660 0.000) 4.043 7.176 ( 1.719 -3.660 0.000) 4.043 19.453 ( -0.604 0.823 0.000) 1.021 19.453 ( 0.604 0.823 0.000) 1.021 19.500 ( -1.506 4.625 0.000) 4.864 19.500 ( 1.506 4.625 0.000) 4.864 19.637 ( -1.006 3.201 0.000) 3.355 19.637 ( 1.006 3.201 0.000) 3.355 20.007 ( -0.603 -0.228 0.000) 0.645 20.007 ( 0.603 -0.228 0.000) 0.645 24.489 ( -7.624 -0.153 0.000) 7.626 24.489 ( 7.624 -0.153 0.000) 7.626 24.500 ( -6.964 -0.770 0.000) 7.006 24.500 ( 6.964 -0.770 0.000) 7.006 31.424 ( -0.853 -1.942 0.000) 2.122 31.424 ( 0.853 -1.942 0.000) 2.122 31.458 ( -0.179 -1.156 0.000) 1.170 31.458 ( 0.179 -1.156 0.000) 1.170 41.481 ( -8.384 4.816 0.000) 9.669 41.481 ( 8.384 4.816 0.000) 9.669 41.570 ( -0.173 5.724 0.000) 5.727 41.570 ( 0.173 5.724 0.000) 5.727 41.970 ( -14.797 8.846 0.000) 17.239 41.970 ( 14.797 8.846 0.000) 17.239 42.594 ( -17.027 -5.163 0.000) 17.792 42.594 ( 17.027 -5.163 0.000) 17.792 ======================= Grid point 27 (16/120) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.000 15.416 0.000) 15.416 1.148 ( 0.000 17.986 0.000) 17.986 1.575 ( 0.000 8.555 0.000) 8.555 1.697 ( 0.000 3.112 0.000) 3.112 1.787 ( 0.000 -5.327 0.000) 5.327 1.844 ( 0.000 4.821 0.000) 4.821 1.871 ( 0.000 -0.816 0.000) 0.816 1.873 ( 0.000 3.908 0.000) 3.908 1.995 ( 0.000 1.294 0.000) 1.294 2.453 ( 0.000 25.591 0.000) 25.591 2.757 ( 0.000 -13.339 0.000) 13.339 2.938 ( 0.000 12.946 0.000) 12.946 3.060 ( 0.000 1.949 0.000) 1.949 3.153 ( 0.000 16.436 0.000) 16.436 3.216 ( 0.000 4.214 0.000) 4.214 3.367 ( 0.000 0.662 0.000) 0.662 3.735 ( 0.000 0.811 0.000) 0.811 3.873 ( 0.000 5.260 0.000) 5.260 4.048 ( 0.000 -1.125 0.000) 1.125 4.120 ( 0.000 -1.679 0.000) 1.679 4.382 ( 0.000 17.550 0.000) 17.550 4.524 ( 0.000 -10.974 0.000) 10.974 4.800 ( 0.000 -16.189 0.000) 16.189 4.817 ( 0.000 3.268 0.000) 3.268 4.954 ( 0.000 -9.488 0.000) 9.488 5.008 ( 0.000 3.658 0.000) 3.658 5.092 ( 0.000 8.243 0.000) 8.243 5.283 ( 0.000 5.865 0.000) 5.865 5.444 ( 0.000 7.121 0.000) 7.121 5.797 ( 0.000 -5.817 0.000) 5.817 6.164 ( 0.000 -14.301 0.000) 14.301 6.226 ( 0.000 -7.291 0.000) 7.291 7.048 ( 0.000 6.098 0.000) 6.098 7.191 ( 0.000 -0.210 0.000) 0.210 7.319 ( 0.000 -1.251 0.000) 1.251 7.439 ( 0.000 -0.235 0.000) 0.235 19.503 ( 0.000 1.913 0.000) 1.913 19.518 ( 0.000 6.714 0.000) 6.714 19.586 ( 0.000 -0.749 0.000) 0.749 19.647 ( 0.000 5.319 0.000) 5.319 19.688 ( 0.000 4.533 0.000) 4.533 19.759 ( 0.000 2.035 0.000) 2.035 19.922 ( 0.000 -3.388 0.000) 3.388 19.957 ( 0.000 -1.665 0.000) 1.665 24.025 ( 0.000 -0.015 0.000) 0.015 24.042 ( 0.000 -0.384 0.000) 0.384 24.822 ( 0.000 0.040 0.000) 0.040 24.844 ( 0.000 -0.444 0.000) 0.444 31.350 ( 0.000 -1.173 0.000) 1.173 31.420 ( 0.000 -0.371 0.000) 0.371 31.422 ( 0.000 -2.045 0.000) 2.045 31.477 ( 0.000 -1.610 0.000) 1.610 40.942 ( 0.000 5.051 0.000) 5.051 41.241 ( 0.000 -2.437 0.000) 2.437 41.288 ( 0.000 -0.443 0.000) 0.443 41.315 ( 0.000 -1.680 0.000) 1.680 41.871 ( 0.000 5.905 0.000) 5.905 42.814 ( 0.000 24.944 0.000) 24.944 43.275 ( 0.000 -27.357 0.000) 27.357 44.275 ( 0.000 -10.546 0.000) 10.546 ======================= Grid point 28 (17/120) ======================= q-point: ( 0.12 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 4.845 13.063 0.000) 13.932 1.201 ( 4.898 16.594 0.000) 17.301 1.598 ( -1.716 8.877 0.000) 9.041 1.694 ( 0.554 3.045 0.000) 3.095 1.707 ( -7.230 -4.161 0.000) 8.342 1.712 ( -2.923 1.679 0.000) 3.371 1.848 ( -1.873 5.357 0.000) 5.675 1.981 ( 4.332 -0.921 0.000) 4.429 1.990 ( -0.032 1.843 0.000) 1.843 2.443 ( -0.919 24.338 0.000) 24.356 2.751 ( -0.672 -12.304 0.000) 12.322 2.898 ( -1.319 14.855 0.000) 14.914 3.132 ( -1.624 12.890 0.000) 12.992 3.173 ( 4.332 -1.887 0.000) 4.725 3.259 ( 3.796 9.040 0.000) 9.805 3.388 ( 3.729 2.039 0.000) 4.250 3.750 ( 0.765 3.879 0.000) 3.953 3.873 ( 2.797 1.681 0.000) 3.263 4.051 ( 0.098 -1.042 0.000) 1.047 4.237 ( 8.978 0.390 0.000) 8.986 4.368 ( -1.381 12.863 0.000) 12.936 4.542 ( 1.459 -5.979 0.000) 6.154 4.680 ( -5.734 -9.967 0.000) 11.498 4.927 ( 4.904 -2.912 0.000) 5.703 4.927 ( -3.434 1.894 0.000) 3.922 4.946 ( -2.416 -9.286 0.000) 9.595 5.111 ( 2.117 4.949 0.000) 5.383 5.375 ( 6.508 7.056 0.000) 9.599 5.455 ( 1.049 8.240 0.000) 8.307 5.790 ( -0.710 -5.815 0.000) 5.858 6.133 ( -2.885 -13.790 0.000) 14.088 6.182 ( -4.056 -6.354 0.000) 7.538 7.053 ( 0.464 5.401 0.000) 5.421 7.185 ( -0.732 -0.407 0.000) 0.838 7.275 ( -3.910 -0.692 0.000) 3.970 7.396 ( -4.100 -0.104 0.000) 4.102 19.498 ( -0.428 1.796 0.000) 1.846 19.517 ( -0.169 6.118 0.000) 6.121 19.589 ( 0.261 -0.516 0.000) 0.579 19.615 ( -1.910 5.433 0.000) 5.759 19.717 ( 1.533 4.271 0.000) 4.537 19.737 ( -1.758 2.691 0.000) 3.214 19.936 ( 1.256 -3.066 0.000) 3.313 19.960 ( 0.327 -1.360 0.000) 1.399 24.067 ( 3.890 -0.251 0.000) 3.898 24.080 ( 3.651 -0.393 0.000) 3.672 24.800 ( -2.159 0.017 0.000) 2.159 24.820 ( -2.365 -0.406 0.000) 2.400 31.353 ( 0.322 -1.172 0.000) 1.215 31.421 ( 0.015 -0.495 0.000) 0.495 31.423 ( 0.161 -1.997 0.000) 2.004 31.467 ( -0.894 -1.448 0.000) 1.702 40.996 ( 5.175 5.273 0.000) 7.388 41.294 ( 5.095 -2.003 0.000) 5.475 41.305 ( 1.810 -0.599 0.000) 1.907 41.373 ( 5.370 -2.143 0.000) 5.782 41.854 ( -1.634 5.861 0.000) 6.084 42.741 ( -6.921 23.711 0.000) 24.701 43.200 ( -7.179 -25.903 0.000) 26.880 44.027 ( -22.340 -4.212 0.000) 22.734 ======================= Grid point 29 (18/120) ======================= q-point: ( 0.25 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 4.156 9.113 0.000) 10.016 1.334 ( 7.466 13.348 0.000) 15.294 1.442 ( -9.036 4.590 0.000) 10.135 1.525 ( -9.314 -1.826 0.000) 9.491 1.732 ( -2.796 0.899 0.000) 2.937 1.746 ( 3.738 2.038 0.000) 4.258 1.852 ( 5.078 11.889 0.000) 12.929 1.998 ( 0.598 3.570 0.000) 3.620 2.068 ( 5.363 -5.392 0.000) 7.605 2.423 ( -0.664 20.213 0.000) 20.224 2.725 ( -1.903 -9.331 0.000) 9.523 2.881 ( -0.804 15.433 0.000) 15.454 3.090 ( -2.487 11.840 0.000) 12.098 3.135 ( -6.551 -2.894 0.000) 7.161 3.364 ( 6.245 13.144 0.000) 14.552 3.526 ( 7.705 1.676 0.000) 7.885 3.765 ( 0.794 10.198 0.000) 10.229 4.009 ( 8.461 -2.846 0.000) 8.927 4.035 ( -2.083 0.099 0.000) 2.086 4.334 ( -1.444 6.922 0.000) 7.071 4.410 ( 5.826 6.373 0.000) 8.635 4.553 ( -1.290 -1.369 0.000) 1.881 4.612 ( 0.914 -15.621 0.000) 15.648 4.885 ( 0.387 -1.522 0.000) 1.570 4.916 ( -0.686 -7.612 0.000) 7.643 4.997 ( 2.004 0.275 0.000) 2.023 5.202 ( 6.934 -1.907 0.000) 7.192 5.486 ( 1.916 9.449 0.000) 9.641 5.493 ( 4.312 8.610 0.000) 9.629 5.769 ( -1.348 -5.856 0.000) 6.009 6.054 ( -4.555 -12.113 0.000) 12.941 6.073 ( -5.972 -4.484 0.000) 7.467 7.065 ( 0.578 3.726 0.000) 3.771 7.145 ( -3.856 1.510 0.000) 4.141 7.192 ( -2.851 -2.005 0.000) 3.485 7.281 ( -6.635 0.157 0.000) 6.637 19.488 ( -0.457 1.600 0.000) 1.664 19.508 ( -0.727 4.437 0.000) 4.496 19.587 ( -0.658 5.933 0.000) 5.970 19.595 ( 0.311 0.114 0.000) 0.331 19.700 ( -1.550 3.988 0.000) 4.279 19.734 ( 0.049 3.499 0.000) 3.499 19.966 ( 1.423 -2.390 0.000) 2.782 19.972 ( 0.821 -0.689 0.000) 1.072 24.176 ( 6.435 -0.385 0.000) 6.447 24.187 ( 6.442 -0.556 0.000) 6.466 24.734 ( -4.237 -0.066 0.000) 4.237 24.747 ( -4.601 -0.314 0.000) 4.612 31.363 ( 0.574 -1.176 0.000) 1.308 31.420 ( -0.183 -0.845 0.000) 0.865 31.427 ( 0.217 -1.857 0.000) 1.869 31.446 ( -0.922 -1.164 0.000) 1.485 41.151 ( 9.612 5.693 0.000) 11.172 41.360 ( 3.407 -0.431 0.000) 3.434 41.449 ( 9.829 -0.732 0.000) 9.856 41.527 ( 9.120 -3.855 0.000) 9.901 41.809 ( -2.401 5.966 0.000) 6.431 42.543 ( -11.660 20.160 0.000) 23.289 42.993 ( -12.402 -21.736 0.000) 25.025 43.456 ( -30.547 5.577 0.000) 31.052 ======================= Grid point 30 (19/120) ======================= q-point: ( 0.38 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 4.851 5.352 0.000) 7.223 1.284 ( -5.631 3.666 0.000) 6.719 1.365 ( -4.848 -0.488 0.000) 4.873 1.467 ( 2.737 6.193 0.000) 6.771 1.646 ( -2.029 4.690 0.000) 5.110 1.789 ( -0.715 4.644 0.000) 4.699 1.952 ( 3.374 11.064 0.000) 11.567 2.009 ( 0.289 4.587 0.000) 4.596 2.246 ( 11.480 -5.925 0.000) 12.919 2.433 ( 1.806 12.279 0.000) 12.411 2.672 ( -3.061 -4.683 0.000) 5.595 2.830 ( -6.311 7.113 0.000) 9.509 2.986 ( -4.598 4.602 0.000) 6.505 3.031 ( -2.994 12.476 0.000) 12.831 3.508 ( 7.341 15.567 0.000) 17.211 3.682 ( 7.447 2.207 0.000) 7.767 3.753 ( -2.622 13.482 0.000) 13.734 3.959 ( -5.130 1.007 0.000) 5.228 4.158 ( 5.743 -0.975 0.000) 5.825 4.315 ( -1.011 6.534 0.000) 6.612 4.456 ( 0.341 0.557 0.000) 0.653 4.493 ( -3.391 -4.497 0.000) 5.632 4.723 ( 7.135 -11.959 0.000) 13.926 4.888 ( -0.991 -16.321 0.000) 16.351 4.954 ( 3.819 7.772 0.000) 8.660 5.026 ( 0.884 1.726 0.000) 1.939 5.377 ( 9.076 -3.739 0.000) 9.816 5.535 ( 3.086 6.835 0.000) 7.499 5.542 ( 0.408 8.646 0.000) 8.656 5.729 ( -2.796 -6.300 0.000) 6.892 5.958 ( -4.362 -7.711 0.000) 8.859 5.958 ( -4.615 -3.556 0.000) 5.827 7.060 ( -3.157 2.431 0.000) 3.984 7.072 ( -0.268 2.373 0.000) 2.388 7.150 ( -4.907 -0.201 0.000) 4.911 7.151 ( -1.699 -2.459 0.000) 2.988 19.481 ( -0.224 1.642 0.000) 1.657 19.491 ( -0.754 2.997 0.000) 3.090 19.585 ( 0.279 5.537 0.000) 5.544 19.599 ( -0.047 1.630 0.000) 1.630 19.682 ( -0.070 4.318 0.000) 4.318 19.721 ( -1.122 3.062 0.000) 3.261 19.990 ( 0.771 -0.416 0.000) 0.876 19.990 ( 0.863 -1.582 0.000) 1.802 24.324 ( 7.708 -0.293 0.000) 7.713 24.334 ( 7.557 -0.602 0.000) 7.581 24.627 ( -6.066 -0.245 0.000) 6.071 24.632 ( -6.464 -0.209 0.000) 6.468 31.376 ( 0.728 -1.193 0.000) 1.397 31.409 ( -0.780 -1.172 0.000) 1.408 31.431 ( 0.152 -1.637 0.000) 1.644 31.435 ( -0.181 -1.094 0.000) 1.109 41.371 ( 10.682 4.777 0.000) 11.702 41.438 ( 3.898 -0.182 0.000) 3.902 41.654 ( 6.089 2.203 0.000) 6.475 41.714 ( 7.277 -3.808 0.000) 8.213 41.810 ( 6.936 6.124 0.000) 9.253 42.295 ( -11.191 13.143 0.000) 17.262 42.716 ( -13.343 -14.818 0.000) 19.941 42.853 ( -25.917 8.978 0.000) 27.428 ======================= Grid point 31 (20/120) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -0.923 3.333 0.000) 3.459 1.220 ( 0.923 3.333 0.000) 3.459 1.392 ( -6.081 -0.087 0.000) 6.082 1.392 ( 6.081 -0.087 0.000) 6.082 1.716 ( -5.450 8.799 0.000) 10.350 1.716 ( 5.450 8.799 0.000) 10.350 1.999 ( -1.368 6.715 0.000) 6.853 1.999 ( 1.368 6.715 0.000) 6.853 2.449 ( -4.006 0.906 0.000) 4.107 2.449 ( 4.006 0.906 0.000) 4.107 2.656 ( -5.113 -0.993 0.000) 5.208 2.656 ( 5.113 -0.993 0.000) 5.208 2.977 ( -1.901 12.543 0.000) 12.686 2.977 ( 1.901 12.543 0.000) 12.686 3.654 ( -6.412 16.316 0.000) 17.531 3.654 ( 6.412 16.316 0.000) 17.531 3.833 ( -6.863 0.872 0.000) 6.918 3.833 ( 6.863 0.872 0.000) 6.918 4.260 ( -4.218 4.781 0.000) 6.376 4.260 ( 4.218 4.781 0.000) 6.376 4.456 ( -0.222 -5.436 0.000) 5.440 4.456 ( 0.222 -5.436 0.000) 5.440 4.841 ( -3.887 -12.208 0.000) 12.811 4.841 ( 3.887 -12.208 0.000) 12.811 5.019 ( -1.891 4.453 0.000) 4.838 5.019 ( 1.891 4.453 0.000) 4.838 5.513 ( -3.387 5.363 0.000) 6.343 5.513 ( 3.387 5.363 0.000) 6.343 5.636 ( -6.128 -4.792 0.000) 7.779 5.636 ( 6.128 -4.792 0.000) 7.779 5.905 ( -0.037 -3.454 0.000) 3.454 5.905 ( 0.037 -3.454 0.000) 3.454 7.039 ( -1.229 2.391 0.000) 2.688 7.039 ( 1.229 2.391 0.000) 2.688 7.121 ( -0.911 -1.641 0.000) 1.877 7.121 ( 0.911 -1.641 0.000) 1.877 19.480 ( -0.239 2.123 0.000) 2.137 19.480 ( 0.239 2.123 0.000) 2.137 19.593 ( -0.447 3.959 0.000) 3.985 19.593 ( 0.447 3.959 0.000) 3.985 19.695 ( -1.160 3.432 0.000) 3.622 19.695 ( 1.160 3.432 0.000) 3.622 19.999 ( -0.035 -0.820 0.000) 0.820 19.999 ( 0.035 -0.820 0.000) 0.820 24.484 ( -7.631 -0.277 0.000) 7.636 24.484 ( 7.631 -0.277 0.000) 7.636 24.489 ( -7.303 -0.377 0.000) 7.313 24.489 ( 7.303 -0.377 0.000) 7.313 31.392 ( -0.818 -1.207 0.000) 1.459 31.392 ( 0.818 -1.207 0.000) 1.459 31.434 ( -0.056 -1.363 0.000) 1.365 31.434 ( 0.056 -1.363 0.000) 1.365 41.496 ( -0.167 0.243 0.000) 0.295 41.496 ( 0.167 0.243 0.000) 0.295 41.733 ( -4.677 5.761 0.000) 7.420 41.733 ( 4.677 5.761 0.000) 7.420 42.080 ( -13.137 4.131 0.000) 13.771 42.080 ( 13.137 4.131 0.000) 13.771 42.534 ( -0.469 -1.211 0.000) 1.298 42.534 ( 0.469 -1.211 0.000) 1.298 ======================= Grid point 36 (21/120) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 0.000 13.750 0.000) 13.750 1.452 ( 0.000 12.829 0.000) 12.829 1.635 ( 0.000 -8.207 0.000) 8.207 1.667 ( 0.000 1.081 0.000) 1.081 1.775 ( 0.000 3.783 0.000) 3.783 1.881 ( 0.000 1.630 0.000) 1.630 1.899 ( 0.000 1.479 0.000) 1.479 1.968 ( 0.000 -3.743 0.000) 3.743 2.000 ( 0.000 8.562 0.000) 8.562 2.475 ( 0.000 -14.920 0.000) 14.920 2.909 ( 0.000 19.513 0.000) 19.513 3.098 ( 0.000 1.906 0.000) 1.906 3.146 ( 0.000 8.136 0.000) 8.136 3.356 ( 0.000 10.267 0.000) 10.267 3.384 ( 0.000 -0.141 0.000) 0.141 3.458 ( 0.000 13.419 0.000) 13.419 3.779 ( 0.000 4.434 0.000) 4.434 3.915 ( 0.000 -0.276 0.000) 0.276 4.004 ( 0.000 -3.650 0.000) 3.650 4.099 ( 0.000 -0.123 0.000) 0.123 4.196 ( 0.000 -19.439 0.000) 19.439 4.458 ( 0.000 -17.912 0.000) 17.912 4.700 ( 0.000 14.613 0.000) 14.613 4.877 ( 0.000 -0.213 0.000) 0.213 4.897 ( 0.000 5.134 0.000) 5.134 5.034 ( 0.000 -0.073 0.000) 0.073 5.116 ( 0.000 -3.753 0.000) 3.753 5.277 ( 0.000 -6.692 0.000) 6.692 5.669 ( 0.000 13.380 0.000) 13.380 5.743 ( 0.000 0.837 0.000) 0.837 5.934 ( 0.000 -9.184 0.000) 9.184 6.078 ( 0.000 -8.091 0.000) 8.091 7.195 ( 0.000 8.191 0.000) 8.191 7.209 ( 0.000 1.851 0.000) 1.851 7.291 ( 0.000 -1.706 0.000) 1.706 7.416 ( 0.000 -2.442 0.000) 2.442 19.534 ( 0.000 1.322 0.000) 1.322 19.571 ( 0.000 -0.789 0.000) 0.789 19.632 ( 0.000 4.938 0.000) 4.938 19.736 ( 0.000 0.370 0.000) 0.370 19.761 ( 0.000 5.947 0.000) 5.947 19.797 ( 0.000 1.875 0.000) 1.875 19.868 ( 0.000 -2.209 0.000) 2.209 19.921 ( 0.000 -2.220 0.000) 2.220 24.026 ( 0.000 0.094 0.000) 0.094 24.034 ( 0.000 -0.345 0.000) 0.345 24.824 ( 0.000 0.156 0.000) 0.156 24.836 ( 0.000 -0.418 0.000) 0.418 31.338 ( 0.000 0.015 0.000) 0.015 31.382 ( 0.000 -1.942 0.000) 1.942 31.418 ( 0.000 0.129 0.000) 0.129 31.448 ( 0.000 -1.362 0.000) 1.362 41.035 ( 0.000 4.482 0.000) 4.482 41.184 ( 0.000 -3.320 0.000) 3.320 41.282 ( 0.000 -0.181 0.000) 0.181 41.292 ( 0.000 -0.816 0.000) 0.816 42.043 ( 0.000 11.969 0.000) 11.969 42.763 ( 0.000 -24.734 0.000) 24.734 43.284 ( 0.000 23.136 0.000) 23.136 44.029 ( 0.000 -14.904 0.000) 14.904 ======================= Grid point 37 (22/120) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 1.595 11.913 0.000) 12.019 1.484 ( 2.937 12.016 0.000) 12.370 1.595 ( -4.134 -6.953 0.000) 8.089 1.709 ( 2.211 -1.242 0.000) 2.535 1.732 ( -7.998 5.394 0.000) 9.647 1.763 ( -0.124 4.415 0.000) 4.417 1.904 ( -1.807 -1.383 0.000) 2.275 1.968 ( 0.525 -3.777 0.000) 3.814 2.049 ( 3.103 8.596 0.000) 9.139 2.495 ( 1.712 -13.404 0.000) 13.513 2.870 ( -3.457 18.007 0.000) 18.336 3.123 ( 0.351 3.398 0.000) 3.416 3.181 ( 2.233 6.931 0.000) 7.281 3.352 ( -0.271 11.984 0.000) 11.987 3.422 ( 4.372 0.329 0.000) 4.384 3.503 ( 4.135 12.442 0.000) 13.111 3.808 ( 2.763 3.889 0.000) 4.771 3.905 ( 1.399 1.087 0.000) 1.771 4.012 ( 0.823 -3.333 0.000) 3.433 4.200 ( 0.225 -18.559 0.000) 18.560 4.206 ( 8.104 -3.030 0.000) 8.652 4.426 ( -2.530 -14.138 0.000) 14.363 4.656 ( -3.714 8.837 0.000) 9.586 4.843 ( -5.274 -2.481 0.000) 5.828 4.933 ( 3.124 3.058 0.000) 4.371 4.996 ( 0.724 5.832 0.000) 5.877 5.113 ( 0.076 -3.458 0.000) 3.459 5.381 ( 7.119 -7.073 0.000) 10.035 5.677 ( 0.607 12.454 0.000) 12.468 5.736 ( -0.601 1.327 0.000) 1.457 5.918 ( -1.449 -8.217 0.000) 8.344 6.051 ( -2.552 -7.244 0.000) 7.681 7.185 ( -0.988 7.355 0.000) 7.421 7.195 ( -1.301 1.384 0.000) 1.899 7.258 ( -3.012 -1.168 0.000) 3.231 7.379 ( -3.498 -1.948 0.000) 4.004 19.530 ( -0.377 1.483 0.000) 1.531 19.575 ( 0.392 -0.877 0.000) 0.961 19.619 ( -1.144 4.529 0.000) 4.671 19.704 ( -1.789 2.222 0.000) 2.853 19.787 ( 1.250 4.025 0.000) 4.214 19.789 ( -0.569 2.614 0.000) 2.675 19.884 ( 1.347 -2.446 0.000) 2.792 19.929 ( 0.809 -1.988 0.000) 2.146 24.065 ( 3.700 0.028 0.000) 3.700 24.073 ( 3.633 -0.342 0.000) 3.649 24.801 ( -2.201 0.134 0.000) 2.205 24.812 ( -2.299 -0.383 0.000) 2.331 31.341 ( 0.322 0.012 0.000) 0.322 31.385 ( 0.245 -1.903 0.000) 1.919 31.416 ( -0.186 0.020 0.000) 0.187 31.441 ( -0.630 -1.205 0.000) 1.360 41.091 ( 5.368 4.544 0.000) 7.033 41.242 ( 5.593 -3.213 0.000) 6.450 41.301 ( 2.095 0.185 0.000) 2.103 41.337 ( 4.087 -1.601 0.000) 4.390 42.023 ( -1.796 11.733 0.000) 11.870 42.714 ( -4.597 -23.467 0.000) 23.913 43.186 ( -9.200 21.857 0.000) 23.715 43.864 ( -15.415 -12.092 0.000) 19.592 ======================= Grid point 38 (23/120) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.516 8.238 0.000) 8.254 1.475 ( -6.662 -3.519 0.000) 7.534 1.526 ( -7.616 4.407 0.000) 8.799 1.556 ( 0.523 7.913 0.000) 7.931 1.737 ( -1.213 0.892 0.000) 1.506 1.800 ( 3.440 4.092 0.000) 5.346 1.940 ( 6.191 -5.113 0.000) 8.030 1.997 ( 1.967 -3.246 0.000) 3.795 2.106 ( 3.135 11.195 0.000) 11.625 2.533 ( 1.823 -10.341 0.000) 10.501 2.776 ( -5.450 15.122 0.000) 16.074 3.053 ( -7.171 -0.607 0.000) 7.197 3.213 ( 0.997 12.736 0.000) 12.775 3.343 ( -0.756 14.694 0.000) 14.713 3.545 ( 6.463 -0.546 0.000) 6.486 3.617 ( 6.502 10.865 0.000) 12.662 3.888 ( 4.555 2.938 0.000) 5.420 4.013 ( 8.217 2.815 0.000) 8.686 4.030 ( 0.396 -1.214 0.000) 1.278 4.196 ( -0.575 -16.058 0.000) 16.068 4.311 ( -1.171 -12.424 0.000) 12.479 4.442 ( 6.835 -3.862 0.000) 7.851 4.574 ( -3.859 2.112 0.000) 4.399 4.701 ( -6.833 -6.073 0.000) 9.142 5.004 ( 3.385 1.797 0.000) 3.832 5.060 ( 4.107 10.326 0.000) 11.113 5.152 ( 4.493 -3.388 0.000) 5.627 5.505 ( 4.069 -9.220 0.000) 10.078 5.685 ( -0.037 9.978 0.000) 9.978 5.721 ( -0.767 3.202 0.000) 3.292 5.880 ( -2.004 -5.841 0.000) 6.175 5.978 ( -4.332 -5.509 0.000) 7.008 7.157 ( -1.592 5.204 0.000) 5.442 7.161 ( -1.919 0.591 0.000) 2.008 7.180 ( -4.103 0.067 0.000) 4.103 7.280 ( -5.700 -0.614 0.000) 5.733 19.522 ( -0.264 1.883 0.000) 1.901 19.586 ( 0.624 -1.033 0.000) 1.207 19.588 ( -1.714 3.922 0.000) 4.280 19.672 ( -1.347 1.606 0.000) 2.096 19.780 ( -0.244 4.108 0.000) 4.115 19.802 ( 0.223 4.371 0.000) 4.377 19.916 ( 1.677 -2.788 0.000) 3.253 19.950 ( 1.067 -1.835 0.000) 2.123 24.171 ( 6.419 -0.055 0.000) 6.419 24.178 ( 6.371 -0.349 0.000) 6.381 24.734 ( -4.337 0.067 0.000) 4.338 24.741 ( -4.503 -0.297 0.000) 4.513 31.351 ( 0.563 -0.002 0.000) 0.563 31.391 ( 0.384 -1.784 0.000) 1.825 31.409 ( -0.464 -0.208 0.000) 0.509 31.425 ( -0.717 -0.940 0.000) 1.182 41.249 ( 9.534 4.625 0.000) 10.597 41.365 ( 3.923 0.927 0.000) 4.031 41.410 ( 10.463 -3.145 0.000) 10.925 41.454 ( 7.056 -3.487 0.000) 7.871 41.978 ( -2.156 11.285 0.000) 11.489 42.586 ( -7.403 -19.751 0.000) 21.093 42.922 ( -15.771 18.452 0.000) 24.274 43.439 ( -24.395 -6.321 0.000) 25.201 ======================= Grid point 39 (24/120) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 1.869 4.485 0.000) 4.859 1.360 ( -3.456 -0.478 0.000) 3.489 1.367 ( -6.032 4.646 0.000) 7.613 1.506 ( -5.635 -1.152 0.000) 5.752 1.776 ( 4.536 7.674 0.000) 8.915 1.866 ( 2.002 4.120 0.000) 4.581 2.035 ( 1.470 -2.052 0.000) 2.525 2.040 ( 2.038 -4.183 0.000) 4.653 2.248 ( 11.147 8.314 0.000) 13.906 2.571 ( 2.027 -6.046 0.000) 6.377 2.655 ( -6.126 10.056 0.000) 11.775 2.852 ( -11.516 -0.973 0.000) 11.557 3.236 ( 1.445 15.984 0.000) 16.049 3.317 ( -1.767 16.760 0.000) 16.853 3.678 ( 6.414 -2.026 0.000) 6.726 3.751 ( 5.724 7.379 0.000) 9.339 3.961 ( 1.669 4.987 0.000) 5.259 3.998 ( -3.430 2.635 0.000) 4.325 4.180 ( 6.976 4.542 0.000) 8.325 4.202 ( 1.576 -13.909 0.000) 13.998 4.269 ( -1.522 -13.035 0.000) 13.124 4.464 ( -7.163 0.780 0.000) 7.206 4.577 ( 4.517 -6.909 0.000) 8.255 4.623 ( -0.550 -9.575 0.000) 9.591 5.083 ( 4.378 4.550 0.000) 6.314 5.136 ( 2.716 9.735 0.000) 10.107 5.293 ( 8.350 -4.857 0.000) 9.660 5.533 ( -1.307 -10.206 0.000) 10.290 5.677 ( -0.462 6.989 0.000) 7.004 5.705 ( -0.989 5.004 0.000) 5.101 5.843 ( -1.438 -3.848 0.000) 4.108 5.888 ( -3.894 -4.198 0.000) 5.726 7.105 ( -2.495 1.839 0.000) 3.100 7.125 ( -1.330 2.743 0.000) 3.048 7.128 ( -1.361 -0.173 0.000) 1.372 7.164 ( -5.030 0.966 0.000) 5.122 19.521 ( 0.189 2.403 0.000) 2.410 19.555 ( -1.440 3.461 0.000) 3.749 19.602 ( 0.888 -1.042 0.000) 1.369 19.646 ( -1.204 0.312 0.000) 1.244 19.780 ( 0.268 5.342 0.000) 5.348 19.799 ( -0.391 5.299 0.000) 5.313 19.948 ( 1.316 -2.861 0.000) 3.150 19.967 ( 0.476 -2.147 0.000) 2.199 24.320 ( 7.729 -0.078 0.000) 7.729 24.325 ( 7.640 -0.321 0.000) 7.647 24.624 ( -6.232 -0.044 0.000) 6.232 24.628 ( -6.380 -0.203 0.000) 6.384 31.364 ( 0.699 -0.045 0.000) 0.700 31.396 ( -0.792 -0.240 0.000) 0.828 31.400 ( 0.392 -1.580 0.000) 1.628 31.414 ( -0.389 -0.999 0.000) 1.072 41.450 ( 8.371 4.078 0.000) 9.311 41.454 ( 4.413 1.897 0.000) 4.804 41.613 ( 7.655 -5.710 0.000) 9.550 41.636 ( 9.424 -3.711 0.000) 10.128 41.981 ( 4.803 10.820 0.000) 11.839 42.445 ( -4.713 -13.120 0.000) 13.941 42.567 ( -17.886 13.807 0.000) 22.595 42.916 ( -24.789 -1.962 0.000) 24.866 ======================= Grid point 40 (25/120) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -1.277 3.736 0.000) 3.948 1.292 ( 1.277 3.736 0.000) 3.948 1.386 ( -5.061 -0.788 0.000) 5.122 1.386 ( 5.061 -0.788 0.000) 5.122 1.860 ( -2.649 6.366 0.000) 6.895 1.860 ( 2.649 6.366 0.000) 6.895 2.053 ( -0.270 -1.548 0.000) 1.571 2.053 ( 0.271 -1.548 0.000) 1.571 2.496 ( -10.804 4.631 0.000) 11.754 2.496 ( 10.804 4.631 0.000) 11.754 2.644 ( -6.414 -0.931 0.000) 6.481 2.644 ( 6.414 -0.931 0.000) 6.481 3.274 ( -2.171 17.244 0.000) 17.380 3.274 ( 2.171 17.244 0.000) 17.380 3.791 ( -3.193 -1.394 0.000) 3.484 3.791 ( 3.193 -1.394 0.000) 3.484 3.955 ( -0.730 8.190 0.000) 8.223 3.955 ( 0.730 8.190 0.000) 8.223 4.242 ( -1.671 -13.372 0.000) 13.475 4.242 ( 1.671 -13.372 0.000) 13.475 4.314 ( -6.802 2.898 0.000) 7.394 4.314 ( 6.802 2.898 0.000) 7.394 4.623 ( -0.461 -9.417 0.000) 9.429 4.623 ( 0.461 -9.417 0.000) 9.429 5.152 ( -1.455 7.582 0.000) 7.721 5.152 ( 1.455 7.582 0.000) 7.721 5.454 ( -6.286 -7.626 0.000) 9.883 5.454 ( 6.286 -7.626 0.000) 9.883 5.680 ( -0.976 5.337 0.000) 5.426 5.680 ( 0.976 5.337 0.000) 5.426 5.835 ( -1.011 -3.593 0.000) 3.733 5.835 ( 1.011 -3.593 0.000) 3.733 7.091 ( -1.358 2.360 0.000) 2.723 7.091 ( 1.358 2.360 0.000) 2.723 7.113 ( -0.066 0.448 0.000) 0.453 7.113 ( 0.066 0.448 0.000) 0.453 19.531 ( -0.820 2.958 0.000) 3.070 19.531 ( 0.820 2.958 0.000) 3.070 19.622 ( -1.105 -0.657 0.000) 1.286 19.622 ( 1.105 -0.657 0.000) 1.286 19.789 ( -0.529 5.774 0.000) 5.798 19.789 ( 0.529 5.774 0.000) 5.798 19.967 ( -0.487 -2.599 0.000) 2.644 19.967 ( 0.487 -2.599 0.000) 2.644 24.480 ( -7.583 -0.102 0.000) 7.584 24.480 ( 7.583 -0.102 0.000) 7.584 24.484 ( -7.501 -0.217 0.000) 7.504 24.484 ( 7.501 -0.217 0.000) 7.504 31.379 ( -0.779 -0.128 0.000) 0.789 31.379 ( 0.779 -0.128 0.000) 0.789 31.407 ( -0.343 -1.298 0.000) 1.343 31.407 ( 0.343 -1.298 0.000) 1.343 41.523 ( -1.240 2.810 0.000) 3.072 41.523 ( 1.240 2.810 0.000) 3.072 41.723 ( -1.395 -5.240 0.000) 5.423 41.723 ( 1.395 -5.240 0.000) 5.423 42.216 ( -15.614 9.393 0.000) 18.222 42.216 ( 15.614 9.393 0.000) 18.222 42.500 ( -12.594 -3.326 0.000) 13.026 42.500 ( 12.594 -3.326 0.000) 13.026 ======================= Grid point 45 (26/120) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.000 -11.234 0.000) 11.234 1.445 ( 0.000 11.234 0.000) 11.234 1.627 ( 0.000 -5.278 0.000) 5.278 1.627 ( 0.000 5.278 0.000) 5.278 1.871 ( 0.000 -5.587 0.000) 5.587 1.871 ( 0.000 5.587 0.000) 5.587 1.908 ( 0.000 -0.584 0.000) 0.584 1.908 ( 0.000 0.584 0.000) 0.584 2.203 ( 0.000 -12.570 0.000) 12.570 2.203 ( 0.000 12.570 0.000) 12.570 3.113 ( 0.000 -1.899 0.000) 1.899 3.113 ( 0.000 1.899 0.000) 1.899 3.308 ( 0.000 -8.156 0.000) 8.156 3.308 ( 0.000 8.156 0.000) 8.156 3.561 ( 0.000 -6.370 0.000) 6.370 3.561 ( 0.000 6.370 0.000) 6.370 3.878 ( 0.000 -3.891 0.000) 3.891 3.878 ( 0.000 3.891 0.000) 3.891 3.946 ( 0.000 -1.857 0.000) 1.857 3.946 ( 0.000 1.857 0.000) 1.857 4.172 ( 0.000 -9.620 0.000) 9.620 4.172 ( 0.000 9.620 0.000) 9.620 4.879 ( 0.000 -2.049 0.000) 2.049 4.879 ( 0.000 2.049 0.000) 2.049 5.011 ( 0.000 -6.243 0.000) 6.243 5.011 ( 0.000 6.243 0.000) 6.243 5.096 ( 0.000 -8.854 0.000) 8.854 5.096 ( 0.000 8.854 0.000) 8.854 5.803 ( 0.000 -4.784 0.000) 4.784 5.803 ( 0.000 4.784 0.000) 4.784 5.902 ( 0.000 -10.389 0.000) 10.389 5.902 ( 0.000 10.389 0.000) 10.389 7.252 ( 0.000 -2.287 0.000) 2.287 7.252 ( 0.000 2.287 0.000) 2.287 7.336 ( 0.000 -5.888 0.000) 5.888 7.336 ( 0.000 5.888 0.000) 5.888 19.555 ( 0.000 -0.893 0.000) 0.893 19.555 ( 0.000 0.893 0.000) 0.893 19.709 ( 0.000 -2.923 0.000) 2.923 19.709 ( 0.000 2.923 0.000) 2.923 19.831 ( 0.000 -1.732 0.000) 1.732 19.831 ( 0.000 1.732 0.000) 1.732 19.861 ( 0.000 -4.153 0.000) 4.153 19.861 ( 0.000 4.153 0.000) 4.153 24.029 ( 0.000 -0.232 0.000) 0.232 24.029 ( 0.000 0.232 0.000) 0.232 24.829 ( 0.000 -0.302 0.000) 0.302 24.829 ( 0.000 0.302 0.000) 0.302 31.350 ( 0.000 -1.215 0.000) 1.215 31.350 ( 0.000 1.215 0.000) 1.215 31.426 ( 0.000 -0.792 0.000) 0.792 31.426 ( 0.000 0.792 0.000) 0.792 41.115 ( 0.000 -3.795 0.000) 3.795 41.115 ( 0.000 3.795 0.000) 3.795 41.282 ( 0.000 -0.238 0.000) 0.238 41.282 ( 0.000 0.238 0.000) 0.238 42.339 ( 0.000 -18.720 0.000) 18.720 42.339 ( 0.000 18.720 0.000) 18.720 43.697 ( 0.000 -19.363 0.000) 19.363 43.697 ( 0.000 19.363 0.000) 19.363 ======================= Grid point 47 (27/120) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -1.366 -9.558 0.000) 9.655 1.436 ( -1.366 9.558 0.000) 9.655 1.649 ( 1.314 -5.216 0.000) 5.379 1.649 ( 1.314 5.216 0.000) 5.379 1.837 ( -4.981 -4.990 0.000) 7.050 1.837 ( -4.981 4.990 0.000) 7.050 1.867 ( 0.298 -5.948 0.000) 5.955 1.867 ( 0.298 5.948 0.000) 5.955 2.249 ( 3.484 -11.672 0.000) 12.181 2.249 ( 3.484 11.672 0.000) 12.181 3.092 ( -2.784 -5.295 0.000) 5.983 3.092 ( -2.784 5.295 0.000) 5.983 3.354 ( 4.192 -7.594 0.000) 8.674 3.354 ( 4.192 7.594 0.000) 8.674 3.585 ( 2.088 -7.897 0.000) 8.169 3.585 ( 2.088 7.897 0.000) 8.169 3.893 ( 1.974 -3.156 0.000) 3.722 3.893 ( 1.974 3.156 0.000) 3.722 3.959 ( 1.255 -2.196 0.000) 2.529 3.959 ( 1.255 2.196 0.000) 2.529 4.209 ( 3.391 -6.121 0.000) 6.997 4.209 ( 3.391 6.121 0.000) 6.997 4.776 ( -7.552 -4.495 0.000) 8.789 4.776 ( -7.552 4.495 0.000) 8.789 5.020 ( 1.162 -5.351 0.000) 5.475 5.020 ( 1.162 5.351 0.000) 5.476 5.180 ( 5.642 -11.613 0.000) 12.911 5.180 ( 5.642 11.613 0.000) 12.911 5.800 ( -0.190 -4.513 0.000) 4.517 5.800 ( -0.190 4.513 0.000) 4.517 5.892 ( -1.084 -9.500 0.000) 9.562 5.892 ( -1.084 9.500 0.000) 9.562 7.229 ( -2.112 -1.818 0.000) 2.786 7.229 ( -2.112 1.818 0.000) 2.787 7.311 ( -2.395 -5.192 0.000) 5.717 7.311 ( -2.395 5.192 0.000) 5.717 19.555 ( 0.045 -1.190 0.000) 1.191 19.555 ( 0.045 1.190 0.000) 1.191 19.691 ( -1.510 -2.678 0.000) 3.074 19.691 ( -1.510 2.678 0.000) 3.074 19.838 ( 0.609 -2.401 0.000) 2.477 19.838 ( 0.609 2.401 0.000) 2.477 19.873 ( 0.955 -3.976 0.000) 4.089 19.873 ( 0.955 3.976 0.000) 4.089 24.067 ( 3.645 -0.216 0.000) 3.651 24.067 ( 3.645 0.216 0.000) 3.651 24.805 ( -2.244 -0.276 0.000) 2.261 24.805 ( -2.244 0.276 0.000) 2.261 31.354 ( 0.302 -1.195 0.000) 1.233 31.354 ( 0.302 1.195 0.000) 1.233 31.422 ( -0.389 -0.660 0.000) 0.766 31.422 ( -0.389 0.660 0.000) 0.766 41.173 ( 5.526 -3.886 0.000) 6.756 41.173 ( 5.526 3.886 0.000) 6.756 41.312 ( 2.889 -0.948 0.000) 3.041 41.312 ( 2.889 0.948 0.000) 3.041 42.311 ( -2.675 -17.955 0.000) 18.154 42.311 ( -2.675 17.955 0.000) 18.154 43.573 ( -11.744 -17.730 0.000) 21.267 43.573 ( -11.744 17.730 0.000) 21.267 ======================= Grid point 49 (28/120) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -3.135 -5.915 0.000) 6.694 1.384 ( -3.135 5.915 0.000) 6.694 1.596 ( -6.584 -2.355 0.000) 6.992 1.596 ( -6.584 2.355 0.000) 6.992 1.821 ( 3.899 -6.546 0.000) 7.619 1.821 ( 3.899 6.546 0.000) 7.619 1.901 ( 2.745 -5.796 0.000) 6.413 1.901 ( 2.745 5.796 0.000) 6.413 2.326 ( 4.001 -11.107 0.000) 11.806 2.326 ( 4.001 11.107 0.000) 11.806 2.985 ( -7.398 -6.582 0.000) 9.902 2.985 ( -7.398 6.582 0.000) 9.902 3.448 ( 4.363 -9.778 0.000) 10.707 3.448 ( 4.363 9.778 0.000) 10.707 3.633 ( 2.123 -12.045 0.000) 12.231 3.633 ( 2.123 12.045 0.000) 12.231 3.964 ( 4.270 -5.832 0.000) 7.228 3.964 ( 4.270 5.832 0.000) 7.228 3.997 ( 2.347 -1.380 0.000) 2.723 3.997 ( 2.347 1.380 0.000) 2.723 4.298 ( 4.886 -8.360 0.000) 9.683 4.298 ( 4.886 8.360 0.000) 9.683 4.617 ( -7.220 -2.945 0.000) 7.798 4.617 ( -7.220 2.945 0.000) 7.798 5.072 ( 4.155 -4.467 0.000) 6.100 5.072 ( 4.155 4.467 0.000) 6.100 5.280 ( 3.744 -12.084 0.000) 12.651 5.280 ( 3.744 12.084 0.000) 12.651 5.795 ( -0.346 -3.756 0.000) 3.771 5.795 ( -0.346 3.756 0.000) 3.771 5.854 ( -2.564 -7.441 0.000) 7.870 5.854 ( -2.564 7.441 0.000) 7.870 7.175 ( -2.812 -0.661 0.000) 2.889 7.175 ( -2.812 0.661 0.000) 2.889 7.244 ( -3.859 -3.334 0.000) 5.100 7.244 ( -3.859 3.334 0.000) 5.100 19.558 ( 0.265 -1.746 0.000) 1.766 19.558 ( 0.265 1.746 0.000) 1.766 19.654 ( -1.889 -2.646 0.000) 3.251 19.654 ( -1.889 2.646 0.000) 3.251 19.855 ( 1.020 -3.566 0.000) 3.709 19.855 ( 1.020 3.566 0.000) 3.709 19.892 ( 0.778 -4.175 0.000) 4.247 19.892 ( 0.778 4.175 0.000) 4.247 24.173 ( 6.384 -0.189 0.000) 6.387 24.173 ( 6.384 0.189 0.000) 6.387 24.736 ( -4.418 -0.207 0.000) 4.423 24.736 ( -4.418 0.207 0.000) 4.423 31.362 ( 0.507 -1.128 0.000) 1.237 31.362 ( 0.507 1.128 0.000) 1.237 31.412 ( -0.593 -0.441 0.000) 0.739 31.412 ( -0.593 0.441 0.000) 0.739 41.336 ( 9.879 -4.322 0.000) 10.783 41.336 ( 9.879 4.322 0.000) 10.783 41.397 ( 5.142 -2.358 0.000) 5.657 41.397 ( 5.142 2.358 0.000) 5.657 42.240 ( -3.616 -15.763 0.000) 16.172 42.240 ( -3.616 15.763 0.000) 16.172 43.239 ( -19.737 -13.796 0.000) 24.080 43.239 ( -19.737 13.796 0.000) 24.080 ======================= Grid point 51 (29/120) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -1.032 -2.234 0.000) 2.460 1.335 ( -1.032 2.234 0.000) 2.461 1.453 ( -6.350 -3.926 0.000) 7.466 1.453 ( -6.350 3.926 0.000) 7.466 1.919 ( 4.378 -7.032 0.000) 8.283 1.919 ( 4.378 7.032 0.000) 8.283 1.957 ( 2.177 -5.004 0.000) 5.457 1.957 ( 2.177 5.004 0.000) 5.457 2.428 ( 6.349 -8.717 0.000) 10.785 2.428 ( 6.349 8.717 0.000) 10.785 2.801 ( -9.982 -4.839 0.000) 11.093 2.801 ( -9.982 4.839 0.000) 11.093 3.534 ( 4.091 -13.205 0.000) 13.824 3.534 ( 4.091 13.205 0.000) 13.824 3.654 ( -0.402 -16.047 0.000) 16.052 3.654 ( -0.402 16.047 0.000) 16.052 4.036 ( 2.266 -6.189 0.000) 6.591 4.036 ( 2.266 6.189 0.000) 6.591 4.043 ( 1.683 -2.239 0.000) 2.800 4.043 ( 1.683 2.239 0.000) 2.800 4.392 ( 3.681 -11.341 0.000) 11.923 4.392 ( 3.681 11.341 0.000) 11.923 4.499 ( -3.983 -3.699 0.000) 5.435 4.499 ( -3.983 3.699 0.000) 5.435 5.189 ( 6.521 -5.797 0.000) 8.725 5.189 ( 6.521 5.797 0.000) 8.725 5.327 ( 0.706 -10.283 0.000) 10.307 5.327 ( 0.706 10.283 0.000) 10.307 5.782 ( -0.968 -3.055 0.000) 3.204 5.782 ( -0.968 3.055 0.000) 3.204 5.796 ( -2.610 -5.351 0.000) 5.953 5.796 ( -2.610 5.351 0.000) 5.953 7.126 ( -1.611 -0.404 0.000) 1.661 7.126 ( -1.611 0.404 0.000) 1.661 7.165 ( -3.377 -1.075 0.000) 3.544 7.165 ( -3.377 1.075 0.000) 3.544 19.568 ( 0.690 -2.259 0.000) 2.362 19.568 ( 0.690 2.259 0.000) 2.362 19.617 ( -1.667 -2.729 0.000) 3.198 19.617 ( -1.667 2.729 0.000) 3.198 19.877 ( 1.049 -4.456 0.000) 4.578 19.877 ( 1.049 4.456 0.000) 4.578 19.901 ( 0.072 -4.626 0.000) 4.626 19.901 ( 0.072 4.626 0.000) 4.626 24.321 ( 7.697 -0.154 0.000) 7.698 24.321 ( 7.697 0.154 0.000) 7.698 24.625 ( -6.316 -0.122 0.000) 6.317 24.625 ( -6.316 0.122 0.000) 6.317 31.374 ( 0.591 -0.997 0.000) 1.159 31.374 ( 0.591 0.997 0.000) 1.159 31.399 ( -0.626 -0.530 0.000) 0.820 31.399 ( -0.626 0.530 0.000) 0.820 41.514 ( 5.792 -4.230 0.000) 7.172 41.514 ( 5.792 4.230 0.000) 7.172 41.542 ( 8.337 -5.290 0.000) 9.874 41.542 ( 8.337 5.290 0.000) 9.874 42.204 ( 1.922 -11.925 0.000) 12.079 42.204 ( 1.922 11.925 0.000) 12.079 42.799 ( -21.836 -9.582 0.000) 23.846 42.799 ( -21.836 9.582 0.000) 23.846 ======================= Grid point 53 (30/120) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -2.959 -2.507 0.000) 3.878 1.354 ( 2.959 -2.507 0.000) 3.878 1.354 ( -2.959 2.507 0.000) 3.878 1.354 ( 2.959 2.507 0.000) 3.878 1.974 ( -0.798 -5.471 0.000) 5.529 1.974 ( 0.798 -5.471 0.000) 5.529 1.974 ( -0.798 5.471 0.000) 5.529 1.974 ( 0.798 5.471 0.000) 5.529 2.595 ( -9.525 -4.323 0.000) 10.461 2.595 ( -9.525 4.323 0.000) 10.461 2.595 ( 9.525 -4.323 0.000) 10.461 2.595 ( 9.525 4.323 0.000) 10.461 3.613 ( -3.293 -16.154 0.000) 16.486 3.613 ( 3.293 -16.154 0.000) 16.486 3.613 ( -3.293 16.154 0.000) 16.486 3.613 ( 3.293 16.154 0.000) 16.486 4.059 ( -0.118 -5.095 0.000) 5.096 4.059 ( 0.118 -5.095 0.000) 5.096 4.059 ( -0.118 5.095 0.000) 5.096 4.059 ( 0.118 5.095 0.000) 5.096 4.445 ( -1.884 -9.074 0.000) 9.268 4.445 ( 1.884 -9.074 0.000) 9.268 4.445 ( -1.884 9.074 0.000) 9.268 4.445 ( 1.884 9.074 0.000) 9.268 5.301 ( -3.525 -7.841 0.000) 8.597 5.301 ( 3.525 -7.841 0.000) 8.597 5.301 ( -3.525 7.841 0.000) 8.597 5.301 ( 3.525 7.841 0.000) 8.597 5.767 ( -0.011 -3.677 0.000) 3.677 5.767 ( 0.011 -3.677 0.000) 3.677 5.767 ( -0.011 3.677 0.000) 3.677 5.767 ( 0.011 3.677 0.000) 3.677 7.118 ( -0.969 -0.406 0.000) 1.051 7.118 ( -0.969 0.406 0.000) 1.051 7.118 ( 0.969 -0.406 0.000) 1.051 7.118 ( 0.969 0.406 0.000) 1.051 19.587 ( -1.207 -2.612 0.000) 2.877 19.587 ( 1.207 -2.612 0.000) 2.877 19.587 ( -1.207 2.612 0.000) 2.877 19.587 ( 1.207 2.612 0.000) 2.877 19.895 ( -0.640 -4.805 0.000) 4.847 19.895 ( 0.640 -4.805 0.000) 4.847 19.895 ( -0.640 4.805 0.000) 4.847 19.895 ( 0.640 4.805 0.000) 4.847 24.480 ( -7.562 -0.103 0.000) 7.562 24.480 ( -7.562 0.103 0.000) 7.562 24.480 ( 7.562 -0.103 0.000) 7.562 24.480 ( 7.562 0.103 0.000) 7.562 31.386 ( -0.611 -0.788 0.000) 0.997 31.386 ( 0.611 -0.788 0.000) 0.997 31.386 ( -0.611 0.788 0.000) 0.997 31.386 ( 0.611 0.788 0.000) 0.997 41.607 ( -2.025 -5.653 0.000) 6.005 41.607 ( 2.025 -5.653 0.000) 6.005 41.607 ( -2.025 5.653 0.000) 6.005 41.607 ( 2.025 5.653 0.000) 6.005 42.391 ( -16.056 -7.809 0.000) 17.854 42.391 ( -16.056 7.809 0.000) 17.854 42.391 ( 16.056 -7.809 0.000) 17.854 42.391 ( 16.056 7.809 0.000) 17.854 ======================= Grid point 99 (31/120) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 0.000 0.000 16.918) 16.918 0.363 ( 0.000 0.000 17.968) 17.968 0.832 ( 0.000 0.000 41.814) 41.814 0.921 ( 0.000 0.000 7.283) 7.283 1.518 ( 0.000 0.000 -12.485) 12.485 1.675 ( 0.000 0.000 -4.000) 4.000 1.696 ( 0.000 0.000 -2.023) 2.023 1.961 ( 0.000 0.000 0.219) 0.219 1.974 ( 0.000 0.000 4.323) 4.323 2.195 ( 0.000 0.000 13.313) 13.313 2.353 ( 0.000 0.000 -3.954) 3.954 2.705 ( 0.000 0.000 23.735) 23.735 2.737 ( 0.000 0.000 -6.711) 6.711 3.028 ( 0.000 0.000 4.292) 4.292 3.217 ( 0.000 0.000 -5.560) 5.560 3.274 ( 0.000 0.000 9.062) 9.062 3.400 ( 0.000 0.000 -13.162) 13.162 3.535 ( 0.000 0.000 4.706) 4.706 3.904 ( 0.000 0.000 1.665) 1.665 4.030 ( 0.000 0.000 -14.792) 14.792 4.229 ( 0.000 0.000 0.850) 0.850 4.412 ( 0.000 0.000 -13.139) 13.139 4.585 ( 0.000 0.000 12.271) 12.271 4.727 ( 0.000 0.000 2.791) 2.791 4.771 ( 0.000 0.000 6.653) 6.653 4.807 ( 0.000 0.000 0.947) 0.947 5.026 ( 0.000 0.000 -16.436) 16.436 5.337 ( 0.000 0.000 -3.218) 3.218 5.661 ( 0.000 0.000 10.703) 10.703 6.053 ( 0.000 0.000 6.400) 6.400 6.441 ( 0.000 0.000 -5.278) 5.278 6.785 ( 0.000 0.000 -4.853) 4.853 7.085 ( 0.000 0.000 2.638) 2.638 7.294 ( 0.000 0.000 0.311) 0.311 7.311 ( 0.000 0.000 -0.458) 0.458 7.590 ( 0.000 0.000 -4.841) 4.841 19.249 ( 0.000 0.000 1.252) 1.252 19.404 ( 0.000 0.000 -1.141) 1.141 19.420 ( 0.000 0.000 1.219) 1.219 19.552 ( 0.000 0.000 0.413) 0.413 19.604 ( 0.000 0.000 -0.391) 0.391 19.705 ( 0.000 0.000 5.551) 5.551 19.917 ( 0.000 0.000 -7.668) 7.668 20.127 ( 0.000 0.000 0.241) 0.241 24.029 ( 0.000 0.000 0.171) 0.171 24.054 ( 0.000 0.000 -0.205) 0.205 24.825 ( 0.000 0.000 0.218) 0.218 24.857 ( 0.000 0.000 -0.276) 0.276 31.424 ( 0.000 0.000 0.179) 0.179 31.451 ( 0.000 0.000 0.799) 0.799 31.484 ( 0.000 0.000 -0.718) 0.718 31.533 ( 0.000 0.000 -0.495) 0.495 40.776 ( 0.000 0.000 3.547) 3.547 41.237 ( 0.000 0.000 -3.576) 3.576 41.333 ( 0.000 0.000 2.391) 2.391 41.547 ( 0.000 0.000 -0.884) 0.884 41.724 ( 0.000 0.000 1.763) 1.763 41.951 ( 0.000 0.000 -1.726) 1.726 44.315 ( 0.000 0.000 0.726) 0.726 44.414 ( 0.000 0.000 -0.801) 0.801 ======================= Grid point 100 (32/120) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 11.135 0.000 11.417) 15.948 0.593 ( 14.994 0.000 7.901) 16.948 0.951 ( 2.844 0.000 6.853) 7.420 0.980 ( 14.724 0.000 32.170) 35.380 1.475 ( -3.224 0.000 -10.604) 11.083 1.655 ( -1.997 0.000 -3.534) 4.059 1.673 ( -2.213 0.000 -1.802) 2.854 1.858 ( -5.644 0.000 3.606) 6.698 1.995 ( -1.917 0.000 -1.393) 2.370 2.248 ( 5.356 0.000 11.577) 12.756 2.356 ( 0.340 0.000 -4.537) 4.550 2.727 ( -0.699 0.000 -6.685) 6.721 2.757 ( 4.797 0.000 22.809) 23.308 3.139 ( -9.739 0.000 8.267) 12.775 3.171 ( -3.510 0.000 -5.557) 6.573 3.251 ( 5.392 0.000 -4.934) 7.309 3.460 ( 7.969 0.000 -2.431) 8.332 3.544 ( -1.417 0.000 7.304) 7.440 3.983 ( 6.031 0.000 -2.271) 6.444 4.068 ( 3.275 0.000 -11.053) 11.528 4.225 ( 0.232 0.000 3.189) 3.197 4.487 ( 6.323 0.000 -12.422) 13.939 4.577 ( -3.225 0.000 5.424) 6.311 4.770 ( 5.902 0.000 2.809) 6.536 4.783 ( 1.409 0.000 2.868) 3.196 4.869 ( 6.119 0.000 3.843) 7.226 5.045 ( 1.807 0.000 -15.003) 15.112 5.343 ( 0.870 0.000 -2.700) 2.837 5.658 ( 0.026 0.000 10.191) 10.191 6.028 ( -2.443 0.000 6.008) 6.485 6.373 ( -6.234 0.000 -4.322) 7.586 6.724 ( -5.885 0.000 -4.608) 7.474 7.074 ( -1.025 0.000 1.560) 1.866 7.135 ( -10.178 0.000 7.841) 12.849 7.328 ( -0.611 0.000 -2.017) 2.108 7.458 ( -5.780 0.000 0.975) 5.861 19.259 ( 1.028 0.000 1.225) 1.599 19.411 ( 0.727 0.000 -1.123) 1.338 19.429 ( 0.897 0.000 1.318) 1.594 19.539 ( -1.206 0.000 0.464) 1.292 19.597 ( -0.681 0.000 -0.431) 0.807 19.634 ( -3.895 0.000 8.498) 9.348 19.919 ( 0.173 0.000 -7.122) 7.124 20.112 ( -1.387 0.000 -0.166) 1.397 24.089 ( 3.454 0.000 -0.221) 3.461 24.119 ( 6.148 0.000 -3.499) 7.074 24.803 ( -2.096 0.000 0.174) 2.103 24.831 ( -2.471 0.000 -0.259) 2.484 31.427 ( 0.317 0.000 0.132) 0.343 31.460 ( 0.501 0.000 -0.545) 0.740 31.485 ( 0.047 0.000 -0.627) 0.629 31.519 ( -0.942 0.000 -0.717) 1.184 40.809 ( 3.154 0.000 3.514) 4.722 41.266 ( 2.761 0.000 -3.554) 4.501 41.384 ( 4.405 0.000 2.602) 5.117 41.606 ( 6.169 0.000 -0.724) 6.211 41.682 ( -3.945 0.000 1.922) 4.388 41.928 ( -2.216 0.000 -1.872) 2.900 43.246 ( -62.849 0.000 63.030) 89.010 44.200 ( -13.158 0.000 1.762) 13.276 ======================= Grid point 101 (33/120) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 12.949 0.000 6.160) 14.339 0.885 ( 13.471 0.000 2.630) 13.725 1.032 ( 4.786 0.000 5.789) 7.511 1.352 ( 12.579 0.000 4.719) 13.435 1.449 ( 7.869 0.000 3.493) 8.609 1.590 ( -4.284 0.000 -2.639) 5.032 1.606 ( -4.197 0.000 -0.968) 4.307 1.733 ( -6.691 0.000 2.172) 7.035 1.905 ( -5.967 0.000 -1.517) 6.157 2.375 ( 1.724 0.000 -5.480) 5.745 2.402 ( 9.017 0.000 5.818) 10.732 2.716 ( -0.727 0.000 -7.457) 7.493 2.858 ( 1.811 0.000 12.688) 12.817 2.955 ( -6.753 0.000 9.562) 11.707 3.079 ( -2.726 0.000 3.528) 4.458 3.233 ( -3.860 0.000 -6.833) 7.848 3.451 ( -7.294 0.000 6.358) 9.676 3.583 ( 1.721 0.000 18.998) 19.076 4.089 ( 3.953 0.000 -2.832) 4.863 4.147 ( 4.000 0.000 -3.737) 5.475 4.247 ( 1.334 0.000 6.164) 6.307 4.469 ( -5.986 0.000 6.498) 8.835 4.628 ( 6.439 0.000 -11.225) 12.940 4.826 ( 2.329 0.000 -0.475) 2.377 4.926 ( 7.674 0.000 -1.261) 7.777 5.064 ( 12.392 0.000 3.223) 12.805 5.091 ( 2.290 0.000 -10.711) 10.953 5.396 ( 5.168 0.000 -0.975) 5.259 5.676 ( 2.018 0.000 7.699) 7.959 5.949 ( -5.261 0.000 5.054) 7.295 6.212 ( -8.596 0.000 -2.800) 9.041 6.546 ( -11.253 0.000 -3.866) 11.898 6.995 ( -2.921 0.000 2.645) 3.940 7.061 ( -0.386 0.000 -1.227) 1.287 7.290 ( -2.869 0.000 -3.230) 4.320 7.376 ( -3.250 0.000 -1.086) 3.427 19.290 ( 1.926 0.000 1.144) 2.241 19.433 ( 1.331 0.000 -1.078) 1.713 19.455 ( 1.564 0.000 1.530) 2.188 19.504 ( -2.127 0.000 0.604) 2.211 19.576 ( -1.317 0.000 -0.531) 1.420 19.582 ( -1.561 0.000 6.094) 6.291 19.926 ( 0.549 0.000 -5.982) 6.008 20.073 ( -2.256 0.000 -1.107) 2.513 24.190 ( 6.097 0.000 -0.152) 6.099 24.246 ( 6.212 0.000 -2.732) 6.786 24.739 ( -4.065 0.000 0.044) 4.065 24.757 ( -4.698 0.000 -0.231) 4.704 31.436 ( 0.465 0.000 -0.150) 0.489 31.467 ( 0.258 0.000 -0.816) 0.856 31.482 ( -0.390 0.000 -0.752) 0.847 31.504 ( -0.464 0.000 -1.267) 1.349 40.903 ( 5.911 0.000 3.410) 6.824 41.348 ( 5.015 0.000 -3.498) 6.115 41.490 ( 5.582 0.000 4.041) 6.891 41.568 ( -6.849 0.000 2.316) 7.230 41.822 ( 14.824 0.000 -0.818) 14.847 41.859 ( -4.425 0.000 -2.215) 4.949 42.381 ( -25.657 0.000 47.069) 53.608 43.823 ( -22.683 0.000 -0.086) 22.683 ======================= Grid point 102 (34/120) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 11.083 0.000 3.204) 11.536 1.134 ( 4.416 0.000 4.400) 6.234 1.149 ( 11.931 0.000 -0.714) 11.952 1.412 ( 2.732 0.000 -5.978) 6.573 1.485 ( -5.367 0.000 -1.469) 5.565 1.508 ( -5.023 0.000 0.066) 5.023 1.578 ( -7.837 0.000 1.165) 7.923 1.692 ( -4.047 0.000 1.065) 4.185 1.927 ( 18.037 0.000 3.657) 18.404 2.433 ( 3.958 0.000 -5.500) 6.776 2.578 ( 3.646 0.000 2.670) 4.519 2.655 ( -5.344 0.000 -5.885) 7.949 2.744 ( -6.236 0.000 -4.880) 7.918 2.921 ( 3.643 0.000 7.740) 8.555 3.051 ( -6.262 0.000 -2.209) 6.640 3.229 ( 6.989 0.000 18.628) 19.896 3.265 ( -10.125 0.000 5.065) 11.321 3.545 ( -4.831 0.000 25.465) 25.919 4.160 ( 3.183 0.000 1.234) 3.414 4.220 ( 3.018 0.000 3.485) 4.610 4.254 ( -0.785 0.000 5.551) 5.606 4.357 ( -4.599 0.000 7.541) 8.833 4.737 ( 4.357 0.000 -9.133) 10.119 4.852 ( -0.359 0.000 -4.250) 4.265 5.056 ( 4.724 0.000 -1.634) 4.998 5.128 ( 0.974 0.000 -5.344) 5.431 5.341 ( 13.417 0.000 1.774) 13.534 5.587 ( 13.107 0.000 -0.113) 13.107 5.747 ( 4.917 0.000 4.499) 6.665 5.811 ( -7.911 0.000 4.162) 8.939 6.036 ( -8.319 0.000 -0.811) 8.358 6.268 ( -15.411 0.000 -2.603) 15.629 6.986 ( 1.532 0.000 -3.439) 3.765 7.062 ( 0.069 0.000 -3.548) 3.548 7.229 ( -2.249 0.000 -4.374) 4.919 7.304 ( -3.793 0.000 -2.907) 4.779 19.337 ( 2.569 0.000 1.017) 2.763 19.450 ( -2.121 0.000 0.281) 2.140 19.469 ( 1.187 0.000 -0.500) 1.288 19.491 ( 1.795 0.000 1.870) 2.592 19.544 ( -1.767 0.000 -0.656) 1.885 19.555 ( -1.230 0.000 3.788) 3.983 19.944 ( 1.250 0.000 -4.639) 4.805 20.024 ( -2.407 0.000 -2.239) 3.287 24.332 ( 7.489 0.000 -0.124) 7.490 24.378 ( 6.613 0.000 -1.497) 6.781 24.635 ( -6.193 0.000 -0.085) 6.194 24.644 ( -5.914 0.000 -0.302) 5.921 31.446 ( 0.493 0.000 -0.776) 0.919 31.469 ( -0.534 0.000 -0.651) 0.842 31.476 ( 0.364 0.000 -1.077) 1.137 31.496 ( -0.398 0.000 -0.889) 0.974 41.047 ( 7.908 0.000 3.218) 8.538 41.401 ( -7.731 0.000 1.928) 7.968 41.475 ( 5.720 0.000 -2.534) 6.256 41.616 ( 6.745 0.000 7.903) 10.390 41.749 ( -6.143 0.000 -2.595) 6.669 41.989 ( -11.838 0.000 24.710) 27.399 42.228 ( 21.122 0.000 0.566) 21.130 43.299 ( -27.172 0.000 -1.474) 27.212 ======================= Grid point 103 (35/120) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -4.377 0.000 2.559) 5.070 1.153 ( 4.377 0.000 2.559) 5.070 1.369 ( -9.140 0.000 -2.380) 9.445 1.369 ( 9.140 0.000 -2.380) 9.445 1.427 ( -1.349 0.000 0.216) 1.366 1.427 ( 1.349 0.000 0.216) 1.366 1.548 ( -6.665 0.000 -1.207) 6.773 1.548 ( 6.665 0.000 -1.207) 6.773 2.337 ( -18.629 0.000 0.423) 18.634 2.337 ( 18.629 0.000 0.423) 18.634 2.534 ( -5.683 0.000 -4.836) 7.462 2.534 ( 5.683 0.000 -4.836) 7.462 2.868 ( -10.051 0.000 -4.128) 10.866 2.868 ( 10.051 0.000 -4.128) 10.866 3.061 ( -9.001 0.000 5.337) 10.464 3.061 ( 9.001 0.000 5.337) 10.464 3.404 ( -8.361 0.000 25.230) 26.579 3.404 ( 8.361 0.000 25.230) 26.579 4.219 ( -2.442 0.000 4.013) 4.698 4.219 ( 2.442 0.000 4.013) 4.698 4.280 ( -3.054 0.000 7.093) 7.723 4.280 ( 3.054 0.000 7.093) 7.723 4.814 ( -2.994 0.000 -6.931) 7.550 4.814 ( 2.994 0.000 -6.931) 7.550 5.121 ( -1.674 0.000 -2.336) 2.874 5.121 ( 1.674 0.000 -2.336) 2.874 5.596 ( -11.015 0.000 2.096) 11.212 5.596 ( 11.015 0.000 2.096) 11.212 5.875 ( -7.197 0.000 1.714) 7.398 5.875 ( 7.197 0.000 1.714) 7.398 5.928 ( -16.898 0.000 -0.635) 16.910 5.928 ( 16.898 0.000 -0.635) 16.910 7.036 ( -2.582 0.000 -4.924) 5.560 7.036 ( 2.582 0.000 -4.924) 5.560 7.232 ( -2.533 0.000 -4.208) 4.911 7.232 ( 2.533 0.000 -4.208) 4.912 19.394 ( -2.843 0.000 0.843) 2.965 19.394 ( 2.843 0.000 0.843) 2.965 19.506 ( -1.920 0.000 -0.771) 2.069 19.506 ( 1.920 0.000 -0.771) 2.069 19.526 ( -1.589 0.000 2.505) 2.967 19.526 ( 1.589 0.000 2.505) 2.967 19.978 ( -1.988 0.000 -3.390) 3.930 19.978 ( 1.988 0.000 -3.390) 3.930 24.488 ( -6.509 0.000 -0.338) 6.518 24.488 ( 6.509 0.000 -0.338) 6.518 24.518 ( -5.479 0.000 -0.496) 5.502 24.518 ( 5.479 0.000 -0.496) 5.502 31.457 ( -0.589 0.000 -1.154) 1.295 31.457 ( 0.589 0.000 -1.154) 1.295 31.486 ( -0.555 0.000 -0.585) 0.807 31.486 ( 0.555 0.000 -0.585) 0.807 41.222 ( -8.837 0.000 2.907) 9.303 41.222 ( 8.837 0.000 2.907) 9.303 41.613 ( -6.897 0.000 -2.898) 7.481 41.613 ( 6.897 0.000 -2.898) 7.481 41.774 ( -8.817 0.000 14.707) 17.147 41.774 ( 8.817 0.000 14.707) 17.147 42.736 ( -26.728 0.000 -1.719) 26.783 42.736 ( 26.728 0.000 -1.719) 26.783 ======================= Grid point 108 (36/120) ======================= q-point: ( 0.00 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.000 9.720 13.366) 16.527 0.686 ( 0.000 15.985 12.877) 20.527 1.049 ( 0.000 25.834 25.966) 36.628 1.074 ( 0.000 13.293 4.234) 13.952 1.536 ( 0.000 2.165 -11.492) 11.694 1.744 ( 0.000 3.486 0.055) 3.486 1.754 ( 0.000 6.371 -2.883) 6.993 1.855 ( 0.000 -1.924 -0.507) 1.989 1.942 ( 0.000 -1.000 -0.382) 1.070 2.167 ( 0.000 -2.692 12.639) 12.922 2.479 ( 0.000 11.954 -2.419) 12.196 2.545 ( 0.000 -0.223 9.188) 9.191 3.036 ( 0.000 0.742 3.708) 3.782 3.158 ( 0.000 -5.830 -5.081) 7.733 3.317 ( 0.000 19.826 1.462) 19.880 3.355 ( 0.000 0.187 -3.272) 3.277 3.427 ( 0.000 9.770 -2.286) 10.034 3.623 ( 0.000 7.642 5.202) 9.245 3.955 ( 0.000 1.925 -7.243) 7.495 4.011 ( 0.000 2.731 3.589) 4.511 4.170 ( 0.000 -2.947 1.118) 3.152 4.496 ( 0.000 8.464 -12.131) 14.792 4.719 ( 0.000 -0.149 5.705) 5.707 4.742 ( 0.000 4.832 6.647) 8.218 4.816 ( 0.000 8.814 5.934) 10.625 4.842 ( 0.000 2.331 -5.305) 5.795 5.060 ( 0.000 3.426 -11.592) 12.088 5.328 ( 0.000 -0.911 -2.180) 2.363 5.597 ( 0.000 -6.387 10.686) 12.449 6.036 ( 0.000 -1.935 6.277) 6.568 6.401 ( 0.000 -4.301 -5.788) 7.212 6.684 ( 0.000 -9.424 -3.604) 10.090 7.035 ( 0.000 -4.450 1.122) 4.589 7.232 ( 0.000 -6.189 -3.842) 7.285 7.266 ( 0.000 -2.641 -0.035) 2.641 7.496 ( 0.000 -3.271 -1.091) 3.448 19.312 ( 0.000 4.957 2.385) 5.501 19.430 ( 0.000 1.087 0.781) 1.338 19.454 ( 0.000 4.954 -0.819) 5.021 19.517 ( 0.000 -0.772 0.684) 1.031 19.599 ( 0.000 -0.542 -0.712) 0.895 19.733 ( 0.000 1.929 4.304) 4.716 19.907 ( 0.000 -1.108 -7.493) 7.575 20.102 ( 0.000 -2.308 0.536) 2.369 24.029 ( 0.000 -0.058 0.164) 0.174 24.052 ( 0.000 -0.176 -0.195) 0.263 24.825 ( 0.000 -0.034 0.207) 0.210 24.855 ( 0.000 -0.195 -0.261) 0.326 31.412 ( 0.000 -1.171 0.245) 1.197 31.447 ( 0.000 -0.426 0.760) 0.871 31.475 ( 0.000 -0.855 -0.704) 1.107 31.525 ( 0.000 -0.807 -0.476) 0.937 40.804 ( 0.000 2.784 3.422) 4.412 41.245 ( 0.000 0.366 -3.152) 3.174 41.330 ( 0.000 0.094 2.045) 2.047 41.450 ( 0.000 -5.451 0.307) 5.460 41.906 ( 0.000 -3.222 4.914) 5.876 41.934 ( 0.000 16.715 -0.034) 16.715 44.177 ( 0.000 -13.745 1.138) 13.792 44.417 ( 0.000 -1.089 -6.746) 6.834 ======================= Grid point 109 (37/120) ======================= q-point: ( 0.12 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 9.740 8.470 8.734) 15.585 0.774 ( 7.949 12.444 10.444) 18.086 1.097 ( 2.352 12.919 4.230) 13.796 1.182 ( 12.184 21.100 20.096) 31.583 1.492 ( -3.263 2.385 -9.029) 9.893 1.695 ( -3.745 3.776 -1.846) 5.629 1.724 ( -3.081 3.692 -0.330) 4.819 1.792 ( -4.590 -1.056 2.545) 5.354 1.948 ( -0.747 -2.502 -3.703) 4.531 2.224 ( 5.164 -1.849 10.981) 12.275 2.487 ( 0.670 11.285 -1.591) 11.417 2.551 ( 2.236 0.617 9.244) 9.530 3.117 ( -3.131 -5.341 -5.360) 8.189 3.165 ( 4.099 8.322 3.180) 9.807 3.218 ( -5.117 5.066 -0.050) 7.201 3.340 ( -5.207 13.183 -0.785) 14.196 3.447 ( 4.398 1.604 5.433) 7.172 3.682 ( 4.300 11.015 2.558) 12.098 3.992 ( 2.717 -0.973 -8.954) 9.408 4.040 ( 3.217 1.583 7.203) 8.046 4.196 ( 2.177 -1.487 -0.360) 2.661 4.554 ( 5.189 7.008 -10.980) 14.022 4.643 ( -5.123 3.337 6.588) 8.988 4.811 ( 0.924 4.023 2.771) 4.971 4.839 ( 6.795 1.733 4.221) 8.185 4.902 ( 4.368 5.448 -2.771) 7.512 5.078 ( 1.781 3.202 -10.164) 10.804 5.328 ( 0.516 -1.251 -1.626) 2.116 5.595 ( -0.035 -6.361 10.167) 11.993 6.011 ( -2.349 -1.877 5.763) 6.501 6.335 ( -6.002 -3.958 -4.860) 8.678 6.627 ( -5.359 -9.102 -3.901) 11.260 7.029 ( -0.565 -3.952 0.041) 3.993 7.112 ( -7.130 -1.727 -0.281) 7.341 7.303 ( 0.562 -2.752 -1.992) 3.444 7.428 ( -4.750 -1.546 -0.347) 5.008 19.316 ( 0.506 4.803 2.259) 5.332 19.436 ( 0.649 0.829 0.934) 1.407 19.452 ( -0.174 3.457 -0.465) 3.492 19.519 ( 0.042 0.620 -0.085) 0.627 19.593 ( -0.547 -0.308 -0.543) 0.830 19.686 ( -3.285 3.267 5.298) 7.037 19.911 ( 0.379 -0.835 -6.842) 6.903 20.091 ( -1.084 -2.003 0.169) 2.284 24.087 ( 3.659 -0.376 -0.291) 3.690 24.098 ( 5.320 -1.250 -1.230) 5.601 24.803 ( -2.109 -0.047 0.166) 2.116 24.830 ( -2.456 -0.178 -0.248) 2.475 31.415 ( 0.308 -1.192 0.199) 1.248 31.451 ( 0.325 -0.711 0.032) 0.782 31.476 ( 0.058 -0.850 -0.626) 1.057 31.511 ( -1.112 -0.804 -0.518) 1.467 40.842 ( 3.629 3.249 3.416) 5.949 41.278 ( 3.151 0.958 -3.170) 4.572 41.372 ( 3.512 -0.943 2.237) 4.269 41.502 ( 5.351 -5.026 0.514) 7.360 41.848 ( -4.533 5.190 2.253) 7.250 41.941 ( -0.093 8.131 2.251) 8.438 43.638 ( -52.017 24.361 18.652) 60.392 44.074 ( -13.227 -12.150 2.515) 18.136 ======================= Grid point 110 (38/120) ======================= q-point: ( 0.25 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 10.878 6.302 4.631) 13.397 0.976 ( 10.817 7.782 5.431) 14.389 1.154 ( 2.722 10.458 3.577) 11.383 1.401 ( 0.940 2.671 -6.686) 7.260 1.537 ( 12.360 9.772 8.753) 18.024 1.618 ( -2.218 3.096 1.757) 4.194 1.632 ( -4.356 4.014 0.525) 5.946 1.692 ( -5.142 -1.197 1.869) 5.600 1.901 ( -3.326 1.115 -4.148) 5.432 2.358 ( 7.358 -2.447 6.196) 9.925 2.514 ( 2.243 9.632 -0.633) 9.910 2.640 ( 5.712 1.853 8.250) 10.204 3.003 ( -7.300 -0.875 -4.535) 8.638 3.049 ( -7.318 14.216 2.385) 16.166 3.168 ( -6.403 -1.995 -6.566) 9.386 3.337 ( 4.460 17.296 7.985) 19.566 3.442 ( -4.390 0.617 13.544) 14.251 3.752 ( 0.858 14.677 8.857) 17.164 4.040 ( 2.033 -3.299 -2.891) 4.835 4.160 ( 7.584 0.705 0.913) 7.671 4.235 ( 0.759 -0.717 3.427) 3.583 4.528 ( -5.046 5.055 6.880) 9.917 4.680 ( 5.902 4.930 -8.136) 11.196 4.843 ( 2.213 3.284 -0.309) 3.972 4.978 ( 4.909 -3.785 -2.655) 6.743 5.019 ( 6.441 5.040 -1.975) 8.414 5.150 ( 6.349 3.239 -4.113) 8.229 5.381 ( 5.413 -1.473 -0.141) 5.611 5.601 ( 0.657 -7.224 8.211) 10.956 5.941 ( -4.328 -1.246 4.448) 6.330 6.181 ( -8.210 -3.203 -3.581) 9.512 6.470 ( -9.858 -7.460 -3.938) 12.975 6.990 ( -3.002 -0.538 -1.781) 3.532 7.030 ( -0.370 -2.477 -2.233) 3.355 7.277 ( -3.085 -1.177 -2.778) 4.315 7.342 ( -3.421 -3.126 -1.130) 4.770 19.336 ( 1.363 4.149 1.785) 4.718 19.450 ( 0.100 1.105 -0.158) 1.121 19.455 ( 1.019 0.055 1.070) 1.479 19.510 ( -1.052 2.277 -0.611) 2.582 19.580 ( -0.621 0.575 -0.354) 0.917 19.631 ( -1.930 3.640 4.639) 6.205 19.923 ( 0.809 -0.278 -5.583) 5.648 20.060 ( -1.777 -1.213 -0.746) 2.277 24.188 ( 6.130 -0.178 -0.148) 6.135 24.226 ( 6.623 -1.635 -1.666) 7.022 24.739 ( -4.092 -0.092 0.047) 4.094 24.755 ( -4.698 -0.152 -0.217) 4.705 31.424 ( 0.501 -1.190 -0.014) 1.291 31.458 ( 0.310 -0.870 -0.738) 1.182 31.475 ( -0.281 -0.681 -0.623) 0.965 31.489 ( -0.760 -1.238 -0.695) 1.610 40.950 ( 6.797 4.602 3.331) 8.858 41.369 ( 5.407 2.004 -3.254) 6.622 41.457 ( 4.807 -2.256 3.578) 6.403 41.639 ( 3.435 1.146 2.053) 4.163 41.747 ( -2.907 1.777 -0.105) 3.409 41.957 ( 3.949 5.065 2.467) 6.880 42.726 ( -33.979 28.495 24.597) 50.711 43.712 ( -21.529 -11.016 0.280) 24.185 ======================= Grid point 111 (39/120) ======================= q-point: ( 0.38 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 9.804 3.842 2.717) 10.875 1.191 ( 1.196 3.934 2.735) 4.938 1.198 ( 10.061 4.743 0.946) 11.163 1.421 ( 0.510 -0.039 -4.057) 4.089 1.504 ( -3.268 2.819 -0.790) 4.387 1.518 ( -4.968 3.035 -0.575) 5.850 1.579 ( -5.053 0.997 1.028) 5.252 1.752 ( -4.247 5.634 -0.475) 7.071 1.990 ( 17.098 7.422 2.788) 18.847 2.486 ( 2.350 0.380 1.458) 2.791 2.593 ( 5.997 1.540 0.530) 6.214 2.721 ( -1.167 5.997 1.833) 6.379 2.886 ( -2.016 15.139 -3.978) 15.782 2.922 ( -1.866 3.858 8.638) 9.642 3.007 ( -8.639 -1.373 -4.849) 10.002 3.275 ( -9.361 -0.040 11.604) 14.909 3.472 ( 6.477 18.407 11.134) 22.467 3.714 ( -3.937 15.332 13.392) 20.734 4.083 ( 2.317 -4.351 2.997) 5.769 4.208 ( -2.989 -2.588 6.933) 7.982 4.303 ( 5.599 5.250 2.831) 8.181 4.449 ( -2.853 7.548 7.091) 10.742 4.785 ( 4.331 3.855 -5.777) 8.185 4.879 ( 0.548 2.045 -3.475) 4.069 5.063 ( 3.380 -2.725 -4.253) 6.078 5.098 ( 1.716 1.109 -6.810) 7.110 5.335 ( 9.754 -0.409 2.260) 10.021 5.575 ( 13.170 -1.523 0.739) 13.278 5.611 ( -0.659 -9.858 5.800) 11.456 5.853 ( -3.021 0.686 2.607) 4.049 6.017 ( -7.370 -2.086 -2.094) 7.940 6.223 ( -13.826 -4.598 -3.044) 14.885 6.968 ( 0.754 -1.442 -4.311) 4.608 7.033 ( -0.011 -2.577 -4.062) 4.811 7.206 ( -2.581 -2.040 -3.602) 4.879 7.273 ( -3.484 -2.934 -2.615) 5.252 19.371 ( 2.025 3.150 1.153) 3.918 19.450 ( -0.564 -0.713 -0.190) 0.929 19.471 ( 0.219 0.018 0.367) 0.428 19.484 ( -0.675 1.961 0.881) 2.253 19.571 ( -0.089 2.159 -0.068) 2.162 19.601 ( -1.129 3.676 2.785) 4.748 19.946 ( 1.404 0.203 -4.196) 4.429 20.020 ( -2.005 -0.314 -1.853) 2.748 24.331 ( 7.518 -0.109 -0.122) 7.520 24.367 ( 6.966 -1.057 -1.115) 7.133 24.634 ( -6.128 -0.075 -0.087) 6.129 24.641 ( -6.079 -0.281 -0.250) 6.090 31.435 ( 0.582 -1.105 -0.492) 1.342 31.462 ( -0.690 -0.931 -1.270) 1.719 31.465 ( 0.327 -0.758 -0.453) 0.942 31.481 ( -0.274 -1.317 -0.503) 1.436 41.116 ( 9.078 6.637 2.941) 11.623 41.471 ( 1.000 3.225 -2.106) 3.980 41.537 ( -2.621 8.228 0.731) 8.667 41.586 ( 4.512 -1.500 6.519) 8.068 41.740 ( -0.637 -0.587 1.952) 2.136 42.162 ( -7.834 6.280 16.080) 18.957 42.237 ( 7.294 9.647 0.229) 12.097 43.216 ( -25.707 -8.294 -1.278) 27.042 ======================= Grid point 112 (40/120) ======================= q-point: (-0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -3.387 1.435 2.289) 4.332 1.179 ( 3.387 1.435 2.289) 4.332 1.395 ( -8.483 3.234 -1.036) 9.137 1.395 ( 8.483 3.234 -1.036) 9.137 1.415 ( -2.206 -0.475 -0.398) 2.291 1.415 ( 2.206 -0.475 -0.398) 2.291 1.623 ( -6.591 7.255 -1.493) 9.915 1.623 ( 6.591 7.255 -1.493) 9.915 2.340 ( -14.638 2.373 0.055) 14.829 2.340 ( 14.638 2.373 0.055) 14.829 2.705 ( -1.050 4.671 1.245) 4.947 2.705 ( 1.050 4.671 1.245) 4.947 2.848 ( -4.084 10.013 -4.409) 11.678 2.848 ( 4.084 10.013 -4.409) 11.678 3.066 ( -10.151 -0.428 11.212) 15.131 3.066 ( 10.151 -0.428 11.212) 15.131 3.607 ( -6.171 16.848 12.926) 22.114 3.607 ( 6.171 16.848 12.926) 22.114 4.140 ( -3.164 -4.308 6.365) 8.311 4.140 ( 3.164 -4.308 6.365) 8.311 4.391 ( -3.200 8.035 6.115) 10.592 4.391 ( 3.200 8.035 6.115) 10.592 4.857 ( -2.497 2.922 -4.419) 5.857 4.857 ( 2.497 2.922 -4.419) 5.857 5.107 ( -0.787 -0.868 -5.939) 6.053 5.107 ( 0.787 -0.868 -5.939) 6.053 5.520 ( -7.642 -6.578 4.067) 10.873 5.520 ( 7.642 -6.578 4.067) 10.873 5.841 ( -4.341 -3.250 0.648) 5.461 5.841 ( 4.341 -3.250 0.648) 5.461 5.939 ( -8.221 0.167 -1.615) 8.380 5.939 ( 8.221 0.167 -1.615) 8.380 7.006 ( -2.338 -2.550 -4.829) 5.940 7.006 ( 2.338 -2.550 -4.829) 5.940 7.206 ( -2.409 -2.445 -3.761) 5.091 7.206 ( 2.409 -2.445 -3.761) 5.091 19.416 ( -2.209 1.796 0.429) 2.879 19.416 ( 2.209 1.796 0.429) 2.879 19.478 ( -0.446 -0.401 0.596) 0.846 19.478 ( 0.446 -0.401 0.596) 0.846 19.580 ( -0.874 3.406 1.163) 3.704 19.580 ( 0.874 3.406 1.163) 3.704 19.980 ( -1.863 0.241 -2.970) 3.514 19.980 ( 1.863 0.241 -2.970) 3.514 24.487 ( -6.115 -0.094 -0.362) 6.127 24.487 ( 6.115 -0.094 -0.362) 6.127 24.512 ( -5.270 -0.549 -0.331) 5.309 24.512 ( 5.270 -0.549 -0.331) 5.309 31.448 ( -0.667 -0.977 -0.952) 1.518 31.448 ( 0.667 -0.977 -0.952) 1.518 31.474 ( -0.407 -1.081 -0.498) 1.258 31.474 ( 0.407 -1.081 -0.498) 1.258 41.315 ( -9.863 8.706 1.964) 13.302 41.315 ( 9.863 8.706 1.964) 13.302 41.601 ( -3.798 -1.062 0.755) 4.015 41.601 ( 3.798 -1.062 0.755) 4.015 41.856 ( -12.023 7.763 9.997) 17.457 41.856 ( 12.023 7.763 9.997) 17.457 42.685 ( -25.019 -4.931 -1.850) 25.568 42.685 ( 25.019 -4.931 -1.850) 25.568 ======================= Grid point 117 (41/120) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.000 13.641 8.186) 15.909 0.938 ( 0.000 12.469 9.745) 15.825 1.340 ( 0.000 12.527 -0.872) 12.557 1.513 ( 0.000 12.022 -0.374) 12.028 1.632 ( 0.000 8.844 -1.210) 8.926 1.790 ( 0.000 2.320 -0.795) 2.452 1.824 ( 0.000 0.051 -4.003) 4.004 1.978 ( 0.000 4.709 2.150) 5.177 1.996 ( 0.000 16.547 3.422) 16.897 2.105 ( 0.000 -1.906 9.980) 10.161 2.617 ( 0.000 7.704 3.655) 8.526 2.765 ( 0.000 15.519 -0.262) 15.521 2.989 ( 0.000 -8.493 -5.699) 10.228 3.072 ( 0.000 1.083 4.038) 4.181 3.319 ( 0.000 -1.724 -7.146) 7.351 3.492 ( 0.000 1.660 12.256) 12.368 3.676 ( 0.000 12.215 -0.609) 12.230 3.765 ( 0.000 6.546 6.316) 9.096 3.970 ( 0.000 1.079 -6.376) 6.467 4.112 ( 0.000 -0.922 -6.113) 6.182 4.196 ( 0.000 11.803 16.957) 20.660 4.681 ( 0.000 5.849 -12.123) 13.460 4.721 ( 0.000 -0.025 2.610) 2.611 4.770 ( 0.000 0.659 3.259) 3.325 4.892 ( 0.000 5.180 -1.189) 5.314 5.016 ( 0.000 9.107 9.027) 12.822 5.118 ( 0.000 -0.378 -6.297) 6.308 5.308 ( 0.000 -0.556 1.235) 1.354 5.453 ( 0.000 -5.581 8.988) 10.579 5.968 ( 0.000 -5.308 5.951) 7.974 6.274 ( 0.000 -8.770 -7.669) 11.650 6.462 ( 0.000 -12.376 -0.694) 12.395 6.961 ( 0.000 -1.797 -2.340) 2.951 7.161 ( 0.000 -0.993 -11.320) 11.364 7.208 ( 0.000 -2.795 -0.830) 2.916 7.463 ( 0.000 -1.238 -2.057) 2.401 19.408 ( 0.000 4.719 2.370) 5.281 19.457 ( 0.000 1.436 -0.340) 1.475 19.555 ( 0.000 4.560 -0.190) 4.564 19.574 ( 0.000 5.313 -0.358) 5.325 19.586 ( 0.000 0.643 -1.121) 1.292 19.774 ( 0.000 2.390 4.658) 5.236 19.875 ( 0.000 -2.108 -6.958) 7.270 20.052 ( 0.000 -2.571 1.311) 2.886 24.027 ( 0.000 -0.078 0.143) 0.163 24.047 ( 0.000 -0.306 -0.164) 0.347 24.824 ( 0.000 -0.040 0.172) 0.177 24.850 ( 0.000 -0.342 -0.228) 0.411 31.383 ( 0.000 -1.621 0.403) 1.670 31.436 ( 0.000 -0.626 0.646) 0.899 31.452 ( 0.000 -1.536 -0.600) 1.649 31.503 ( 0.000 -1.373 -0.412) 1.434 40.877 ( 0.000 4.492 3.092) 5.453 41.242 ( 0.000 -0.701 -2.093) 2.207 41.340 ( 0.000 0.689 2.411) 2.508 41.370 ( 0.000 -3.011 0.808) 3.118 41.853 ( 0.000 -1.754 4.501) 4.831 42.303 ( 0.000 20.157 -3.637) 20.482 43.822 ( 0.000 -21.468 3.659) 21.778 44.360 ( 0.000 -4.720 -7.110) 8.534 ======================= Grid point 118 (42/120) ======================= q-point: ( 0.12 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 7.168 11.321 5.920) 14.650 0.994 ( 5.247 11.360 7.508) 14.593 1.362 ( 1.496 12.827 -0.669) 12.931 1.500 ( -1.655 6.388 -5.681) 8.707 1.617 ( 0.118 8.182 3.112) 8.755 1.769 ( -2.475 2.034 -0.646) 3.268 1.815 ( -1.339 5.861 -0.913) 6.081 1.845 ( -6.943 1.198 3.671) 7.945 2.003 ( -0.039 16.356 0.100) 16.356 2.190 ( 5.372 -1.142 9.862) 11.288 2.628 ( 1.590 8.924 5.749) 10.734 2.784 ( 1.722 14.713 0.218) 14.815 2.976 ( -1.612 -7.661 -4.967) 9.271 3.150 ( 2.812 -1.194 -0.317) 3.072 3.344 ( 4.275 0.854 -1.411) 4.582 3.466 ( -3.031 4.309 6.615) 8.457 3.623 ( -2.052 11.170 8.814) 14.376 3.852 ( 6.574 5.166 0.198) 8.363 3.992 ( 1.755 1.220 -5.377) 5.786 4.153 ( 1.483 5.236 -1.445) 5.630 4.205 ( 2.505 6.686 10.606) 12.786 4.687 ( -1.214 0.906 6.931) 7.095 4.697 ( 1.002 3.769 -9.518) 10.286 4.842 ( 4.378 2.374 1.901) 5.331 4.898 ( 0.310 3.119 -1.950) 3.692 5.024 ( 2.076 6.221 5.902) 8.823 5.131 ( 1.301 -0.941 -5.025) 5.276 5.319 ( 1.176 1.326 0.171) 1.781 5.451 ( -0.109 -5.331 8.767) 10.261 5.948 ( -1.910 -4.837 5.259) 7.396 6.223 ( -4.743 -7.609 -7.022) 11.389 6.408 ( -4.820 -12.409 -1.539) 13.401 6.965 ( 0.247 -1.548 -3.192) 3.556 7.098 ( -4.347 0.525 -8.825) 9.851 7.236 ( 1.111 -3.446 -1.960) 4.117 7.409 ( -4.776 -0.815 -1.783) 5.163 19.410 ( 0.236 4.444 1.987) 4.873 19.458 ( 0.090 1.163 -0.259) 1.195 19.523 ( -1.673 4.762 0.321) 5.058 19.583 ( -0.243 -0.039 -1.194) 1.219 19.600 ( 1.127 5.808 -0.799) 5.970 19.743 ( -2.393 2.557 3.982) 5.303 19.890 ( 1.220 -1.148 -5.530) 5.778 20.047 ( -0.457 -2.244 1.020) 2.507 24.074 ( 4.186 -0.584 -0.139) 4.229 24.086 ( 3.757 -0.367 -0.212) 3.781 24.802 ( -2.142 -0.058 0.141) 2.147 24.825 ( -2.417 -0.313 -0.215) 2.446 31.386 ( 0.286 -1.629 0.360) 1.693 31.437 ( 0.039 -0.755 0.318) 0.820 31.453 ( 0.096 -1.498 -0.539) 1.595 31.490 ( -1.091 -1.251 -0.387) 1.704 40.925 ( 4.663 5.064 3.204) 7.593 41.290 ( 4.566 0.002 -1.959) 4.968 41.353 ( 1.634 -0.945 2.070) 2.802 41.435 ( 5.915 -2.106 0.950) 6.350 41.836 ( -1.610 -1.421 4.419) 4.913 42.258 ( -4.190 19.021 -3.233) 19.743 43.702 ( -11.846 -18.655 2.249) 22.213 43.984 ( -31.242 5.671 -0.101) 31.753 ======================= Grid point 119 (43/120) ======================= q-point: ( 0.25 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 7.594 7.422 3.692) 11.242 1.140 ( 8.353 9.166 3.533) 12.895 1.334 ( -4.630 6.218 -0.263) 7.757 1.478 ( -0.926 5.390 -5.729) 7.921 1.637 ( -1.128 5.266 1.018) 5.481 1.671 ( -2.559 2.873 1.384) 4.089 1.716 ( -4.592 2.685 0.052) 5.320 1.858 ( 2.472 5.168 0.156) 5.731 2.027 ( 3.925 17.735 0.799) 18.182 2.305 ( 5.922 -2.527 8.684) 10.811 2.674 ( 2.221 9.634 7.701) 12.532 2.827 ( 2.196 9.227 2.059) 9.706 2.924 ( -3.341 -2.623 -1.970) 4.682 3.131 ( -2.571 1.825 -4.200) 5.252 3.373 ( -4.733 4.501 5.352) 8.444 3.435 ( 0.228 11.387 6.813) 13.272 3.624 ( 3.136 7.990 9.362) 12.701 3.996 ( 3.423 4.837 -2.461) 6.416 4.037 ( 3.129 3.059 -1.197) 4.536 4.172 ( 3.243 4.109 5.336) 7.475 4.279 ( 3.013 6.222 3.167) 7.604 4.629 ( -2.412 4.515 7.642) 9.198 4.782 ( 5.124 3.146 -5.627) 8.236 4.863 ( -1.355 -5.265 1.841) 5.740 4.927 ( 2.511 2.776 -0.018) 3.743 5.123 ( 4.105 2.776 -6.223) 7.955 5.193 ( 6.877 -0.488 1.922) 7.157 5.358 ( 2.467 0.109 -0.655) 2.554 5.456 ( 1.030 -3.497 7.322) 8.179 5.892 ( -3.269 -3.743 3.319) 5.976 6.095 ( -7.007 -5.475 -5.879) 10.660 6.278 ( -7.612 -11.519 -2.777) 14.083 6.970 ( 0.154 -0.812 -5.292) 5.356 7.012 ( -3.320 0.993 -6.678) 7.524 7.238 ( -1.099 -3.137 -1.475) 3.637 7.289 ( -6.244 -1.419 -1.463) 6.568 19.417 ( 0.343 3.394 0.905) 3.529 19.458 ( -0.200 0.404 -0.477) 0.657 19.499 ( -0.538 4.723 1.009) 4.859 19.574 ( -0.758 1.791 -0.634) 2.046 19.611 ( 0.095 4.226 -0.691) 4.284 19.699 ( -1.603 3.108 2.900) 4.543 19.920 ( 1.633 0.118 -3.921) 4.249 20.034 ( -0.785 -1.374 0.237) 1.600 24.183 ( 6.267 -0.378 -0.128) 6.280 24.198 ( 6.661 -1.040 -0.543) 6.764 24.736 ( -4.173 -0.127 0.050) 4.175 24.751 ( -4.665 -0.248 -0.183) 4.676 31.394 ( 0.504 -1.647 0.214) 1.736 31.438 ( 0.061 -1.063 -0.284) 1.102 31.455 ( 0.061 -1.417 -0.495) 1.503 31.466 ( -1.137 -1.130 -0.356) 1.642 41.065 ( 8.738 6.712 3.344) 11.514 41.402 ( 3.850 -0.150 0.292) 3.864 41.429 ( 7.811 0.592 0.779) 7.872 41.598 ( 8.862 -2.906 0.129) 9.327 41.791 ( -2.453 0.330 4.210) 4.884 42.149 ( -5.196 14.466 -1.901) 15.488 43.209 ( -33.656 16.835 3.778) 37.821 43.434 ( -19.959 -15.180 2.796) 25.231 ======================= Grid point 120 (44/120) ======================= q-point: ( 0.38 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 7.503 4.093 2.826) 9.002 1.242 ( -3.202 2.185 1.048) 4.016 1.318 ( 8.423 7.139 0.340) 11.047 1.393 ( -4.405 -1.411 0.053) 4.626 1.578 ( -6.869 2.951 -0.509) 7.493 1.631 ( -4.571 6.214 -1.876) 7.939 1.684 ( 5.018 10.679 -2.545) 12.071 1.864 ( -1.980 4.723 -4.050) 6.529 2.200 ( 11.286 12.871 3.030) 17.384 2.434 ( 5.834 -3.811 5.089) 8.629 2.670 ( -3.010 5.989 2.528) 7.164 2.830 ( -6.190 -0.779 0.362) 6.249 2.895 ( 5.452 3.227 11.644) 13.256 3.103 ( -0.179 9.868 1.113) 9.932 3.272 ( -4.377 8.262 7.267) 11.842 3.364 ( -5.409 19.446 3.751) 20.530 3.737 ( 6.530 6.118 6.316) 10.953 3.980 ( -3.759 6.251 3.521) 8.099 4.076 ( 1.862 6.602 1.906) 7.119 4.202 ( -2.709 3.271 6.612) 7.859 4.396 ( 8.229 3.709 2.722) 9.428 4.599 ( -1.398 7.048 8.447) 11.090 4.839 ( 0.752 -3.034 0.153) 3.129 4.869 ( 1.368 -0.778 -5.544) 5.763 5.004 ( 5.069 -0.448 -2.085) 5.499 5.150 ( -0.506 -0.101 -6.100) 6.122 5.352 ( 5.016 3.147 0.761) 5.970 5.409 ( 1.699 -7.719 2.880) 8.412 5.543 ( 9.113 -1.867 2.414) 9.610 5.825 ( -2.856 -3.131 0.818) 4.316 5.959 ( -5.575 -3.637 -4.925) 8.280 6.095 ( -10.011 -8.275 -3.337) 13.411 6.953 ( -0.712 0.404 -5.679) 5.737 6.990 ( -0.049 -1.114 -5.137) 5.257 7.167 ( -3.814 -1.563 -1.878) 4.529 7.205 ( -2.698 -3.631 -1.791) 4.865 19.424 ( 0.395 1.731 -0.352) 1.810 19.448 ( -0.666 0.192 -0.952) 1.177 19.502 ( 0.705 4.525 1.567) 4.840 19.551 ( -1.371 3.650 0.571) 3.941 19.619 ( 0.810 2.967 0.040) 3.076 19.671 ( -1.325 3.189 1.327) 3.699 19.955 ( 1.729 0.798 -2.668) 3.278 20.015 ( -1.085 -0.273 -0.757) 1.350 24.328 ( 7.601 -0.226 -0.109) 7.605 24.345 ( 7.410 -0.965 -0.524) 7.491 24.632 ( -5.932 -0.245 -0.084) 5.937 24.635 ( -6.474 -0.245 -0.149) 6.480 31.406 ( 0.634 -1.653 -0.035) 1.770 31.435 ( -0.550 -1.571 -0.564) 1.758 31.450 ( -0.173 -0.902 -0.389) 0.998 31.455 ( -0.073 -1.323 -0.529) 1.426 41.275 ( 11.232 8.792 2.825) 14.541 41.488 ( 4.593 -0.717 1.931) 5.034 41.586 ( 3.122 1.547 0.491) 3.519 41.727 ( -0.720 3.610 3.088) 4.805 41.745 ( 3.487 5.966 1.150) 7.005 42.146 ( 6.406 -0.190 1.595) 6.604 42.589 ( -23.727 17.833 3.075) 29.840 43.002 ( -21.784 -12.918 -0.260) 25.328 ======================= Grid point 121 (45/120) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -1.859 1.444 2.483) 3.422 1.201 ( 1.859 1.444 2.483) 3.422 1.401 ( -4.352 -0.185 0.302) 4.366 1.401 ( 4.352 -0.184 0.302) 4.366 1.512 ( -5.518 7.518 -2.019) 9.541 1.512 ( 5.518 7.518 -2.019) 9.541 1.791 ( -4.776 8.924 -3.751) 10.794 1.791 ( 4.776 8.924 -3.751) 10.794 2.421 ( -8.375 4.704 1.502) 9.723 2.421 ( 8.375 4.704 1.502) 9.723 2.686 ( -6.321 -1.072 1.300) 6.542 2.686 ( 6.321 -1.072 1.300) 6.542 3.036 ( -6.793 2.439 16.487) 17.997 3.036 ( 6.793 2.439 16.487) 17.997 3.262 ( -3.576 21.480 -1.611) 21.835 3.262 ( 3.576 21.480 -1.611) 21.835 3.871 ( -6.255 6.149 5.431) 10.317 3.871 ( 6.255 6.149 5.431) 10.317 4.131 ( -3.368 5.758 5.018) 8.347 4.131 ( 3.368 5.758 5.018) 8.347 4.536 ( -4.946 4.389 6.755) 9.453 4.536 ( 4.946 4.389 6.755) 9.453 4.866 ( -1.299 -1.075 -2.709) 3.190 4.866 ( 1.299 -1.075 -2.709) 3.190 5.105 ( -3.908 -1.011 -5.141) 6.537 5.105 ( 3.908 -1.011 -5.141) 6.537 5.411 ( -1.417 -2.306 2.509) 3.690 5.411 ( 1.417 -2.306 2.509) 3.690 5.752 ( -7.156 -5.664 0.002) 9.126 5.752 ( 7.156 -5.664 0.002) 9.126 5.915 ( -3.856 -2.586 -4.117) 6.205 5.915 ( 3.856 -2.586 -4.117) 6.205 6.967 ( -1.712 -0.804 -4.552) 4.929 6.967 ( 1.712 -0.804 -4.552) 4.929 7.152 ( -1.851 -2.731 -2.580) 4.188 7.152 ( 1.851 -2.731 -2.580) 4.188 19.434 ( -0.591 0.533 -0.997) 1.276 19.434 ( 0.591 0.533 -0.997) 1.276 19.523 ( -1.236 4.333 1.402) 4.719 19.523 ( 1.236 4.333 1.402) 4.719 19.643 ( -1.394 2.963 0.551) 3.321 19.643 ( 1.394 2.963 0.551) 3.321 19.988 ( -1.463 0.600 -1.700) 2.322 19.988 ( 1.463 0.600 -1.700) 2.322 24.484 ( -4.534 -0.191 -0.391) 4.555 24.484 ( 4.534 -0.191 -0.391) 4.555 24.500 ( -3.993 -0.585 -0.032) 4.035 24.500 ( 3.993 -0.585 -0.032) 4.035 31.420 ( -0.716 -1.636 -0.317) 1.814 31.420 ( 0.716 -1.636 -0.317) 1.814 31.452 ( -0.171 -1.125 -0.551) 1.264 31.452 ( 0.171 -1.125 -0.551) 1.264 41.501 ( -9.391 7.244 0.825) 11.889 41.501 ( 9.391 7.244 0.825) 11.889 41.594 ( -6.077 2.710 3.089) 7.336 41.594 ( 6.077 2.710 3.089) 7.336 42.022 ( -17.013 7.570 5.118) 19.312 42.022 ( 17.013 7.570 5.118) 19.312 42.572 ( -18.099 -5.597 -2.325) 19.087 42.572 ( 18.099 -5.597 -2.325) 19.087 ======================= Grid point 126 (46/120) ======================= q-point: ( 0.00 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.000 14.321 5.407) 15.308 1.175 ( 0.000 11.581 0.382) 11.588 1.522 ( 0.000 5.826 -5.637) 8.107 1.634 ( 0.000 3.760 -7.419) 8.317 1.734 ( 0.000 2.569 3.869) 4.644 1.816 ( 0.000 0.316 -2.896) 2.913 1.852 ( 0.000 3.627 -1.973) 4.129 2.015 ( 0.000 -2.921 10.440) 10.841 2.052 ( 0.000 1.906 3.331) 3.837 2.499 ( 0.000 26.712 5.254) 27.224 2.722 ( 0.000 -13.396 -3.664) 13.888 2.834 ( 0.000 13.934 0.118) 13.934 3.064 ( 0.000 4.777 -0.686) 4.826 3.180 ( 0.000 14.830 3.685) 15.281 3.312 ( 0.000 1.120 -4.853) 4.980 3.468 ( 0.000 -2.598 10.132) 10.460 3.847 ( 0.000 5.057 -2.408) 5.601 3.878 ( 0.000 4.605 13.699) 14.453 3.989 ( 0.000 1.088 -2.635) 2.851 4.074 ( 0.000 -2.159 -3.937) 4.490 4.471 ( 0.000 14.491 7.637) 16.380 4.604 ( 0.000 -11.503 2.492) 11.770 4.656 ( 0.000 -8.794 -8.967) 12.559 4.789 ( 0.000 1.769 1.446) 2.285 4.958 ( 0.000 -7.059 1.303) 7.178 5.084 ( 0.000 4.837 -0.510) 4.864 5.147 ( 0.000 4.229 10.159) 11.004 5.327 ( 0.000 2.645 1.349) 2.969 5.494 ( 0.000 8.445 4.707) 9.669 5.838 ( 0.000 -7.190 4.954) 8.731 6.070 ( 0.000 -11.416 -7.854) 13.857 6.248 ( 0.000 -9.414 0.685) 9.439 6.993 ( 0.000 4.904 -5.189) 7.140 7.171 ( 0.000 1.473 -11.483) 11.577 7.175 ( 0.000 -0.404 -1.553) 1.605 7.432 ( 0.000 -2.072 -3.200) 3.812 19.480 ( 0.000 1.530 -1.412) 2.082 19.499 ( 0.000 4.139 -1.564) 4.425 19.563 ( 0.000 -1.114 -2.211) 2.476 19.671 ( 0.000 6.723 2.412) 7.142 19.690 ( 0.000 3.737 -0.074) 3.738 19.823 ( 0.000 2.522 5.096) 5.686 19.841 ( 0.000 -0.626 -4.972) 5.011 20.007 ( 0.000 -2.074 2.184) 3.012 24.026 ( 0.000 -0.036 0.109) 0.115 24.041 ( 0.000 -0.355 -0.116) 0.374 24.824 ( 0.000 0.007 0.116) 0.117 24.842 ( 0.000 -0.413 -0.175) 0.448 31.355 ( 0.000 -1.130 0.531) 1.248 31.418 ( 0.000 -1.893 -0.374) 1.929 31.425 ( 0.000 -0.474 0.474) 0.670 31.474 ( 0.000 -1.539 -0.300) 1.568 40.969 ( 0.000 4.792 2.625) 5.464 41.220 ( 0.000 -1.562 -1.308) 2.038 41.327 ( 0.000 -1.481 1.183) 1.895 41.344 ( 0.000 -0.457 4.131) 4.156 41.861 ( 0.000 3.140 -0.351) 3.160 42.636 ( 0.000 10.329 -14.044) 17.434 43.441 ( 0.000 -13.418 12.851) 18.579 44.234 ( 0.000 -8.349 -4.173) 9.334 ======================= Grid point 127 (47/120) ======================= q-point: ( 0.12 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 3.718 12.190 3.992) 13.355 1.214 ( 3.729 10.855 -0.619) 11.494 1.549 ( -2.153 5.674 -4.593) 7.611 1.585 ( -0.291 2.610 -7.394) 7.846 1.715 ( -0.298 4.499 2.877) 5.349 1.784 ( -4.990 -0.526 1.890) 5.362 1.848 ( -0.970 1.144 -2.215) 2.675 1.894 ( -3.664 3.756 2.046) 5.632 2.155 ( 4.684 -1.609 8.460) 9.803 2.464 ( -2.792 21.849 2.410) 22.158 2.738 ( 1.079 -8.710 -1.069) 8.841 2.871 ( 3.218 14.649 2.643) 15.230 3.068 ( -1.024 4.820 -2.773) 5.655 3.226 ( 3.154 12.723 2.253) 13.301 3.359 ( 4.728 1.692 -0.520) 5.049 3.478 ( 1.532 -1.146 9.727) 9.913 3.828 ( -0.418 8.729 2.678) 9.140 3.890 ( 1.656 -0.227 6.432) 6.646 4.018 ( 2.142 0.654 -0.731) 2.356 4.177 ( 8.016 -0.029 -5.224) 9.567 4.421 ( -3.261 8.627 2.129) 9.465 4.606 ( 0.013 -9.575 5.950) 11.273 4.686 ( 2.209 -3.268 -0.140) 3.947 4.840 ( 3.506 -2.117 -2.206) 4.652 4.954 ( -0.779 -3.849 3.143) 5.030 5.041 ( -4.035 0.940 5.614) 6.977 5.110 ( 0.182 1.788 0.560) 1.882 5.398 ( 4.523 6.253 0.964) 7.777 5.499 ( 0.561 8.141 3.562) 8.904 5.829 ( -0.946 -6.913 4.596) 8.355 6.039 ( -2.831 -10.620 -7.836) 13.498 6.197 ( -4.606 -8.817 0.129) 9.949 6.993 ( -0.082 4.313 -5.654) 7.111 7.126 ( -3.096 2.101 -8.983) 9.731 7.190 ( 0.232 -1.081 -2.704) 2.921 7.388 ( -4.117 -1.531 -2.801) 5.210 19.476 ( -0.333 1.502 -1.293) 2.010 19.494 ( -0.438 3.642 -1.849) 4.108 19.567 ( 0.373 -0.734 -1.966) 2.132 19.640 ( -1.674 5.624 1.830) 6.147 19.714 ( 0.980 4.866 0.421) 4.982 19.781 ( -2.290 1.661 1.235) 3.087 19.883 ( 2.413 0.766 -0.968) 2.711 20.007 ( -0.008 -1.922 1.973) 2.754 24.067 ( 3.828 -0.214 0.034) 3.835 24.079 ( 3.633 -0.358 -0.127) 3.653 24.801 ( -2.178 -0.010 0.097) 2.180 24.818 ( -2.357 -0.376 -0.165) 2.392 31.358 ( 0.283 -1.125 0.494) 1.261 31.419 ( 0.088 -1.708 -0.375) 1.751 31.425 ( -0.045 -0.683 0.340) 0.764 31.464 ( -0.870 -1.378 -0.267) 1.651 41.026 ( 5.528 5.113 2.936) 8.082 41.277 ( 5.485 -1.318 -0.951) 5.720 41.334 ( 1.409 -0.906 2.076) 2.667 41.406 ( 5.122 -1.439 2.636) 5.937 41.845 ( -1.439 3.102 -0.181) 3.424 42.579 ( -5.435 10.424 -12.978) 17.511 43.346 ( -8.983 -13.150 11.449) 19.614 44.004 ( -20.860 -3.407 -2.485) 21.282 ======================= Grid point 128 (48/120) ======================= q-point: ( 0.25 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 3.814 8.207 2.400) 9.362 1.325 ( 6.626 9.413 -2.035) 11.690 1.411 ( -7.352 2.551 -2.401) 8.144 1.554 ( -8.029 2.438 1.176) 8.473 1.711 ( -0.194 0.334 -2.466) 2.496 1.748 ( 1.161 4.343 0.862) 4.577 1.801 ( 0.955 4.801 -3.120) 5.804 1.897 ( 1.242 4.230 -3.414) 5.576 2.243 ( 4.286 -2.552 9.941) 11.123 2.419 ( -0.756 15.670 0.160) 15.689 2.747 ( -0.525 -4.408 1.880) 4.821 2.938 ( 1.467 13.117 6.348) 14.646 3.009 ( -2.956 5.086 -2.661) 6.457 3.279 ( 0.803 9.622 5.244) 10.987 3.420 ( 2.517 6.572 6.623) 9.664 3.587 ( 7.552 2.311 5.243) 9.480 3.814 ( -1.296 11.807 4.334) 12.644 3.987 ( 6.986 -4.289 -1.644) 8.361 4.059 ( 1.322 1.290 4.124) 4.519 4.301 ( 1.987 5.074 -7.074) 8.929 4.409 ( 2.676 2.135 2.833) 4.443 4.608 ( 0.916 -9.154 4.664) 10.314 4.705 ( -1.441 -2.815 8.310) 8.891 4.873 ( -0.343 -8.805 -1.576) 8.951 4.924 ( 0.525 6.324 3.575) 7.284 5.034 ( 2.380 -4.759 2.483) 5.872 5.176 ( 6.256 -1.079 -2.159) 6.705 5.467 ( 1.968 9.404 -0.903) 9.650 5.520 ( 1.394 6.642 0.617) 6.814 5.797 ( -2.125 -6.221 3.053) 7.248 5.961 ( -4.395 -8.284 -7.684) 12.124 6.076 ( -6.644 -7.960 -0.958) 10.413 6.991 ( 0.001 3.022 -6.476) 7.147 7.053 ( -3.652 2.902 -7.743) 9.040 7.183 ( -0.979 -1.916 -0.953) 2.353 7.275 ( -6.315 -0.466 -1.792) 6.581 19.467 ( -0.484 1.512 -1.286) 2.044 19.481 ( -0.782 2.740 -2.070) 3.522 19.577 ( 0.605 0.018 -1.455) 1.576 19.613 ( -0.853 4.947 1.410) 5.215 19.717 ( -0.691 5.791 1.347) 5.986 19.744 ( -1.076 1.868 0.324) 2.180 19.932 ( 2.252 1.003 -0.544) 2.525 20.007 ( 0.030 -1.437 1.358) 1.977 24.175 ( 6.419 -0.333 -0.045) 6.428 24.185 ( 6.407 -0.464 -0.183) 6.426 24.734 ( -4.272 -0.074 0.042) 4.273 24.746 ( -4.586 -0.289 -0.140) 4.597 31.366 ( 0.501 -1.117 0.382) 1.282 31.420 ( -0.177 -0.900 -0.108) 0.924 31.424 ( 0.050 -1.585 -0.230) 1.603 31.444 ( -0.904 -1.093 -0.214) 1.435 41.191 ( 10.119 5.870 3.690) 12.266 41.384 ( 3.420 -0.715 2.367) 4.220 41.443 ( 10.396 -0.354 -0.187) 10.404 41.545 ( 7.940 -2.669 0.939) 8.429 41.810 ( -1.522 2.985 0.632) 3.410 42.423 ( -9.234 10.414 -10.086) 17.188 43.089 ( -15.310 -12.220 7.693) 21.045 43.460 ( -29.731 4.500 0.079) 30.070 ======================= Grid point 129 (49/120) ======================= q-point: ( 0.38 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 4.877 4.710 2.322) 7.166 1.291 ( -3.334 2.819 0.501) 4.395 1.386 ( -6.164 0.880 2.078) 6.564 1.462 ( 4.873 6.801 -1.103) 8.439 1.618 ( -4.898 1.588 -2.105) 5.563 1.753 ( -2.112 6.060 -2.787) 6.997 1.891 ( 4.223 6.597 -6.601) 10.244 1.920 ( 1.100 3.969 -5.922) 7.213 2.355 ( 6.862 -2.108 7.921) 10.689 2.449 ( 3.293 9.537 1.921) 10.271 2.712 ( -2.695 -2.015 3.237) 4.670 2.829 ( -8.538 2.139 -1.674) 8.960 3.056 ( 4.450 12.934 12.234) 18.351 3.239 ( -3.660 6.572 14.459) 16.299 3.522 ( 6.433 15.787 1.616) 17.123 3.723 ( 3.092 11.314 2.438) 11.980 3.781 ( 0.564 5.352 4.130) 6.784 4.027 ( -4.114 1.626 6.054) 7.498 4.140 ( 6.681 -2.692 -0.065) 7.203 4.315 ( -0.324 5.832 -2.509) 6.357 4.437 ( 0.600 -0.799 2.676) 2.856 4.580 ( -5.344 -12.769 1.655) 13.940 4.733 ( 5.625 -0.904 5.552) 7.955 4.864 ( -0.404 -11.177 -0.407) 11.192 4.993 ( 4.614 6.090 2.298) 7.978 5.079 ( 1.443 -1.922 3.665) 4.383 5.340 ( 8.421 -1.423 -3.427) 9.202 5.492 ( 0.517 8.450 -2.938) 8.961 5.547 ( 1.688 3.259 -1.037) 3.814 5.740 ( -3.571 -6.001 0.761) 7.025 5.876 ( -3.377 -5.155 -7.014) 9.336 5.938 ( -6.309 -6.491 -2.798) 9.474 6.986 ( -1.203 2.731 -5.799) 6.522 7.001 ( -0.543 2.100 -5.614) 6.019 7.143 ( -3.277 -1.455 -1.099) 3.750 7.160 ( -3.406 -0.313 -0.719) 3.495 19.458 ( -0.320 1.666 -1.538) 2.289 19.465 ( -0.670 2.108 -1.934) 2.938 19.590 ( 0.562 0.991 -0.875) 1.436 19.603 ( -0.254 3.674 0.587) 3.730 19.703 ( -0.334 5.512 1.806) 5.810 19.726 ( -0.930 3.152 0.391) 3.310 19.973 ( 1.620 0.726 -0.343) 1.808 20.007 ( -0.165 -0.695 0.577) 0.918 24.323 ( 7.696 -0.261 -0.067) 7.701 24.332 ( 7.569 -0.496 -0.206) 7.588 24.626 ( -6.111 -0.222 -0.039) 6.116 24.631 ( -6.444 -0.193 -0.103) 6.447 31.378 ( 0.643 -1.105 0.223) 1.298 31.409 ( -0.763 -1.013 -0.017) 1.269 31.427 ( 0.136 -1.482 -0.478) 1.563 31.433 ( -0.253 -1.038 -0.271) 1.102 41.414 ( 9.737 4.833 3.036) 11.287 41.473 ( 5.614 -0.232 4.321) 7.089 41.638 ( 3.084 3.366 -2.061) 5.009 41.709 ( 9.440 -3.033 1.176) 9.985 41.853 ( 8.141 3.215 3.010) 9.256 42.233 ( -7.584 7.772 -5.703) 12.266 42.748 ( -16.619 -9.611 2.473) 19.357 42.856 ( -27.000 7.175 0.294) 27.939 ======================= Grid point 130 (50/120) ======================= q-point: (-0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -2.013 3.168 2.494) 4.507 1.246 ( 2.013 3.168 2.494) 4.507 1.405 ( -6.579 0.388 1.508) 6.761 1.405 ( 6.579 0.388 1.508) 6.761 1.662 ( -5.845 7.435 -4.962) 10.681 1.662 ( 5.845 7.435 -4.962) 10.681 1.935 ( -0.246 5.187 -6.272) 8.142 1.935 ( 0.246 5.187 -6.272) 8.142 2.486 ( -2.824 2.370 3.523) 5.099 2.486 ( 2.824 2.370 3.523) 5.099 2.682 ( -2.726 0.198 2.156) 3.481 2.682 ( 2.726 0.198 2.157) 3.481 3.152 ( -4.617 9.911 15.979) 19.362 3.152 ( 4.617 9.911 15.979) 19.362 3.654 ( -5.850 17.895 -0.114) 18.827 3.654 ( 5.850 17.895 -0.114) 18.827 3.901 ( -7.118 0.602 6.599) 9.725 3.901 ( 7.118 0.602 6.599) 9.725 4.264 ( -4.729 3.790 0.688) 6.099 4.264 ( 4.729 3.790 0.688) 6.099 4.477 ( -3.577 -8.756 1.060) 9.518 4.477 ( 3.577 -8.756 1.060) 9.518 4.832 ( -3.179 -6.650 1.348) 7.493 4.832 ( 3.179 -6.650 1.348) 7.493 5.072 ( -2.389 2.501 3.531) 4.942 5.072 ( 2.389 2.501 3.531) 4.942 5.465 ( -3.359 5.434 -4.509) 7.820 5.465 ( 3.359 5.434 -4.509) 7.820 5.637 ( -6.232 -5.562 -0.244) 8.356 5.637 ( 6.232 -5.562 -0.244) 8.356 5.849 ( -1.469 -3.805 -5.421) 6.784 5.849 ( 1.469 -3.805 -5.421) 6.784 6.983 ( -1.054 2.259 -4.358) 5.020 6.983 ( 1.054 2.259 -4.358) 5.020 7.115 ( -1.098 -0.877 -1.349) 1.948 7.115 ( 1.098 -0.877 -1.349) 1.948 19.456 ( -0.172 1.832 -1.765) 2.550 19.456 ( 0.172 1.832 -1.765) 2.550 19.598 ( -0.268 2.276 -0.195) 2.300 19.598 ( 0.268 2.276 -0.195) 2.300 19.707 ( -0.694 4.474 1.221) 4.689 19.707 ( 0.694 4.474 1.221) 4.689 19.998 ( -0.788 0.094 -0.022) 0.794 19.998 ( 0.788 0.094 -0.022) 0.794 24.480 ( -3.102 -0.174 -0.299) 3.121 24.480 ( 3.102 -0.174 -0.299) 3.121 24.491 ( -2.836 -0.394 0.080) 2.864 24.491 ( 2.836 -0.394 0.080) 2.864 31.393 ( -0.754 -1.082 0.073) 1.321 31.393 ( 0.754 -1.082 0.073) 1.321 31.429 ( -0.127 -1.240 -0.422) 1.316 31.429 ( 0.127 -1.240 -0.422) 1.316 41.531 ( -2.763 -0.023 2.691) 3.857 41.531 ( 2.763 -0.023 2.691) 3.857 41.731 ( -6.969 5.671 0.669) 9.010 41.731 ( 6.969 5.671 0.669) 9.010 42.114 ( -10.963 3.214 2.928) 11.793 42.114 ( 10.963 3.214 2.928) 11.793 42.506 ( -0.980 -1.331 -2.846) 3.291 42.506 ( 0.980 -1.331 -2.846) 3.291 ======================= Grid point 135 (51/120) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.000 13.120 3.853) 13.674 1.370 ( 0.000 8.321 -7.046) 10.903 1.563 ( 0.000 -1.089 -9.016) 9.081 1.626 ( 0.000 -4.891 -1.269) 5.053 1.820 ( 0.000 6.069 4.029) 7.284 1.845 ( 0.000 2.051 -1.355) 2.458 1.901 ( 0.000 1.404 -0.176) 1.415 2.025 ( 0.000 4.928 2.990) 5.764 2.046 ( 0.000 -2.294 4.134) 4.728 2.447 ( 0.000 -14.338 -2.809) 14.610 2.955 ( 0.000 18.479 4.395) 18.994 3.111 ( 0.000 13.294 1.227) 13.350 3.115 ( 0.000 2.027 1.181) 2.346 3.345 ( 0.000 1.278 -2.256) 2.592 3.448 ( 0.000 2.415 3.706) 4.424 3.499 ( 0.000 15.523 3.129) 15.836 3.859 ( 0.000 -4.617 -4.294) 6.305 3.930 ( 0.000 -0.464 12.519) 12.528 3.965 ( 0.000 -2.073 -1.599) 2.618 4.090 ( 0.000 3.954 -0.418) 3.976 4.299 ( 0.000 -16.530 7.985) 18.358 4.414 ( 0.000 -14.037 -4.415) 14.715 4.693 ( 0.000 7.134 -4.490) 8.430 4.860 ( 0.000 -3.535 -2.705) 4.452 4.881 ( 0.000 8.796 6.494) 10.934 5.111 ( 0.000 -0.947 1.345) 1.645 5.184 ( 0.000 0.126 10.109) 10.109 5.331 ( 0.000 -4.636 4.428) 6.411 5.692 ( 0.000 8.297 -0.765) 8.333 5.759 ( 0.000 2.311 4.692) 5.230 5.876 ( 0.000 -7.873 -5.566) 9.642 6.084 ( 0.000 -7.958 0.561) 7.978 7.117 ( 0.000 6.487 -6.556) 9.223 7.196 ( 0.000 2.725 -2.148) 3.469 7.197 ( 0.000 0.814 -8.293) 8.332 7.378 ( 0.000 -3.627 -4.360) 5.672 19.504 ( 0.000 1.100 -2.497) 2.728 19.542 ( 0.000 -1.009 -2.661) 2.846 19.579 ( 0.000 3.964 -3.485) 5.278 19.700 ( 0.000 -1.829 -3.425) 3.883 19.795 ( 0.000 5.717 3.129) 6.517 19.861 ( 0.000 1.684 0.453) 1.744 19.868 ( 0.000 2.098 5.163) 5.573 19.966 ( 0.000 -2.387 2.991) 3.827 24.026 ( 0.000 0.067 0.062) 0.091 24.034 ( 0.000 -0.313 -0.057) 0.318 24.825 ( 0.000 0.116 0.045) 0.124 24.835 ( 0.000 -0.380 -0.108) 0.395 31.343 ( 0.000 -0.045 0.504) 0.506 31.382 ( 0.000 -1.760 -0.050) 1.761 31.420 ( 0.000 0.017 0.268) 0.269 31.446 ( 0.000 -1.269 -0.140) 1.277 41.056 ( 0.000 4.142 2.010) 4.604 41.182 ( 0.000 -2.379 -0.184) 2.386 41.309 ( 0.000 -0.428 1.794) 1.845 41.326 ( 0.000 -1.103 4.260) 4.401 41.985 ( 0.000 9.697 -5.188) 10.997 42.555 ( 0.000 -15.401 -16.323) 22.442 43.466 ( 0.000 13.057 13.748) 18.960 44.035 ( 0.000 -12.226 0.148) 12.226 ======================= Grid point 136 (52/120) ======================= q-point: ( 0.12 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.267 10.977 2.125) 11.184 1.400 ( 2.974 8.155 -6.702) 10.967 1.554 ( -5.046 -3.819 -4.000) 7.486 1.607 ( 2.909 -1.157 -8.030) 8.619 1.784 ( -6.957 1.452 3.977) 8.144 1.831 ( 0.754 7.052 5.551) 9.006 1.857 ( -2.724 -0.622 -1.320) 3.090 2.006 ( 1.911 6.638 -0.167) 6.909 2.104 ( 2.375 -2.649 4.964) 6.107 2.450 ( 0.339 -12.251 -4.062) 12.911 2.920 ( -2.930 15.826 4.760) 16.784 3.115 ( -1.124 1.682 -1.208) 2.357 3.170 ( 4.440 14.428 2.881) 15.368 3.379 ( 2.186 2.321 0.363) 3.209 3.478 ( 4.806 3.859 4.158) 7.435 3.543 ( 3.611 13.395 3.088) 14.213 3.840 ( -0.088 -3.733 -2.134) 4.301 3.967 ( 2.864 2.031 12.181) 12.677 3.993 ( 1.776 -1.587 -2.233) 3.265 4.133 ( 4.249 -5.197 -2.472) 7.153 4.348 ( 3.694 -11.949 7.870) 14.777 4.380 ( -2.149 -9.499 -3.183) 10.246 4.703 ( -0.529 3.132 1.268) 3.420 4.801 ( -2.521 -1.961 -1.124) 3.386 4.947 ( 3.178 3.863 2.003) 5.389 5.070 ( -4.138 -0.216 5.203) 6.651 5.124 ( -0.488 2.239 3.333) 4.044 5.434 ( 6.344 -5.077 4.148) 9.123 5.684 ( -0.723 7.671 -1.609) 7.872 5.748 ( -1.118 2.319 3.365) 4.237 5.865 ( -1.056 -6.622 -4.915) 8.314 6.048 ( -3.351 -7.135 -0.186) 7.885 7.101 ( -1.447 5.600 -6.709) 8.858 7.170 ( -2.266 1.997 -7.092) 7.708 7.192 ( -0.628 1.548 -2.256) 2.807 7.345 ( -3.080 -2.981 -3.822) 5.743 19.501 ( -0.235 1.247 -2.348) 2.669 19.545 ( 0.226 -0.660 -2.826) 2.911 19.573 ( -0.571 3.417 -3.119) 4.662 19.685 ( -1.262 -1.121 -2.673) 3.161 19.803 ( 0.547 5.071 2.169) 5.543 19.834 ( -1.072 3.169 2.851) 4.396 19.905 ( 1.931 0.831 2.756) 3.466 19.967 ( 0.180 -2.324 2.686) 3.557 24.065 ( 3.679 0.015 0.039) 3.680 24.072 ( 3.625 -0.309 -0.064) 3.639 24.802 ( -2.210 0.100 0.037) 2.212 24.811 ( -2.294 -0.348 -0.103) 2.323 31.346 ( 0.290 -0.044 0.472) 0.556 31.384 ( 0.219 -1.720 -0.075) 1.736 31.418 ( -0.227 -0.066 0.225) 0.326 31.439 ( -0.612 -1.120 -0.118) 1.282 41.117 ( 5.824 4.192 2.459) 7.585 41.242 ( 5.762 -2.292 0.093) 6.202 41.325 ( 1.840 0.101 2.203) 2.873 41.372 ( 4.010 -1.946 3.384) 5.596 41.968 ( -1.597 9.500 -5.007) 10.857 42.513 ( -3.926 -14.380 -15.659) 21.620 43.360 ( -10.030 12.100 12.927) 20.350 43.872 ( -15.182 -9.858 0.454) 18.107 ======================= Grid point 137 (53/120) ======================= q-point: ( 0.25 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.200 7.108 0.399) 7.122 1.421 ( -5.652 -0.964 -3.219) 6.576 1.495 ( 4.691 7.072 -5.162) 9.933 1.604 ( -9.056 3.241 4.584) 10.655 1.684 ( 1.472 -2.538 -5.339) 6.092 1.772 ( -1.887 -2.424 -4.745) 5.653 1.878 ( 2.193 6.198 4.156) 7.778 2.069 ( 1.455 9.674 -3.550) 10.407 2.163 ( 5.401 -4.681 8.021) 10.744 2.468 ( 1.701 -7.597 -4.855) 9.176 2.842 ( -4.583 10.879 5.386) 12.975 3.034 ( -6.514 1.003 -1.431) 6.745 3.268 ( 4.425 15.547 6.347) 17.366 3.402 ( 0.565 6.553 4.832) 8.162 3.628 ( 7.293 3.948 6.256) 10.389 3.646 ( 6.660 9.775 2.414) 12.072 3.881 ( 3.872 -4.100 -2.348) 6.108 4.020 ( 2.108 5.106 -0.053) 5.524 4.058 ( 3.812 -0.201 7.257) 8.200 4.225 ( 3.693 -13.764 -0.577) 14.263 4.320 ( -1.923 -5.855 -2.798) 6.769 4.447 ( 3.059 -5.808 7.041) 9.626 4.654 ( -2.423 -1.736 6.142) 6.827 4.726 ( -5.463 -5.494 2.355) 8.098 5.002 ( 3.341 0.950 0.334) 3.489 5.070 ( 3.807 5.122 0.025) 6.382 5.162 ( 4.071 2.419 2.083) 5.173 5.539 ( 3.250 -7.078 2.358) 8.138 5.664 ( -1.219 6.867 -3.063) 7.617 5.713 ( -2.119 2.875 0.117) 3.573 5.834 ( -1.939 -4.299 -4.281) 6.370 5.955 ( -5.399 -5.529 -1.900) 7.958 7.067 ( -1.530 4.011 -6.514) 7.801 7.111 ( -3.176 2.540 -5.869) 7.140 7.170 ( -1.524 0.751 -1.234) 2.100 7.259 ( -4.945 -1.420 -2.498) 5.719 19.496 ( -0.188 1.662 -2.140) 2.716 19.542 ( -0.783 2.510 -3.283) 4.206 19.566 ( 0.285 -0.194 -2.069) 2.097 19.656 ( -1.435 -0.759 -2.132) 2.679 19.807 ( -0.140 4.545 1.842) 4.906 19.825 ( 0.040 5.107 2.643) 5.751 19.941 ( 1.520 -0.562 2.261) 2.782 19.974 ( 0.460 -2.068 1.937) 2.871 24.171 ( 6.402 -0.051 0.001) 6.402 24.177 ( 6.361 -0.311 -0.084) 6.369 24.734 ( -4.353 0.046 0.013) 4.353 24.741 ( -4.496 -0.269 -0.090) 4.505 31.355 ( 0.506 -0.048 0.384) 0.637 31.390 ( 0.350 -1.602 -0.133) 1.646 31.411 ( -0.508 -0.231 0.132) 0.574 31.425 ( -0.709 -0.869 -0.082) 1.125 41.287 ( 10.236 4.214 3.717) 11.677 41.384 ( 3.810 0.642 1.872) 4.293 41.415 ( 10.506 -2.156 1.026) 10.774 41.486 ( 7.014 -3.413 2.420) 8.167 41.928 ( -1.682 9.099 -4.479) 10.280 42.403 ( -6.277 -11.247 -13.852) 18.915 43.072 ( -17.237 9.438 10.604) 22.330 43.450 ( -24.470 -4.940 0.782) 24.976 ======================= Grid point 138 (54/120) ======================= q-point: ( 0.38 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 2.256 3.689 0.960) 4.429 1.333 ( -1.582 1.072 -0.636) 2.015 1.427 ( -7.095 3.232 3.892) 8.714 1.536 ( -4.929 0.083 2.812) 5.675 1.672 ( 4.405 4.598 -7.807) 10.075 1.845 ( 3.981 -0.191 -8.282) 9.190 1.893 ( -0.114 2.775 -3.023) 4.105 2.047 ( -2.703 2.464 -4.543) 5.833 2.335 ( 10.191 2.022 6.673) 12.348 2.532 ( 4.525 -2.415 -1.156) 5.257 2.732 ( -6.163 5.372 5.223) 9.701 2.861 ( -9.693 0.519 1.112) 9.771 3.345 ( 3.112 15.766 10.159) 19.012 3.410 ( 0.014 11.124 8.130) 13.778 3.766 ( 6.252 0.157 6.902) 9.314 3.789 ( 6.673 8.644 3.069) 11.343 3.961 ( 1.864 3.000 0.579) 3.579 4.036 ( -0.553 -2.992 2.926) 4.221 4.110 ( 1.779 5.386 -0.477) 5.692 4.267 ( 0.290 -13.820 1.948) 13.960 4.316 ( 1.214 -5.439 -0.345) 5.583 4.421 ( -4.507 -0.893 2.443) 5.203 4.630 ( -1.950 -9.037 2.442) 9.563 4.654 ( 0.617 -7.403 5.004) 8.957 5.101 ( 5.639 3.570 1.632) 6.870 5.161 ( 3.662 8.782 1.693) 9.664 5.290 ( 8.110 -3.172 -0.270) 8.713 5.554 ( -1.846 -8.509 1.420) 8.822 5.636 ( -1.259 5.680 -4.226) 7.191 5.670 ( -2.032 4.482 -3.122) 5.828 5.791 ( -1.845 -3.150 -5.006) 6.196 5.843 ( -4.855 -4.234 -4.024) 7.596 7.045 ( -0.762 2.987 -5.251) 6.089 7.057 ( -1.544 3.060 -4.144) 5.378 7.130 ( -2.227 0.040 -1.396) 2.629 7.161 ( -3.937 -0.112 -1.107) 4.092 19.495 ( 0.137 2.243 -2.117) 3.087 19.521 ( -1.052 3.228 -2.719) 4.350 19.580 ( 0.911 -1.388 -1.999) 2.599 19.628 ( -1.327 -1.063 -2.040) 2.656 19.807 ( 0.229 5.414 2.167) 5.836 19.823 ( -0.261 5.857 2.249) 6.279 19.967 ( 1.004 -1.705 1.685) 2.599 19.983 ( 0.266 -1.849 1.369) 2.316 24.320 ( 7.717 -0.068 -0.027) 7.718 24.324 ( 7.642 -0.282 -0.094) 7.648 24.624 ( -6.249 -0.045 -0.021) 6.249 24.628 ( -6.373 -0.186 -0.073) 6.376 31.367 ( 0.639 -0.070 0.267) 0.697 31.397 ( -0.664 -0.380 0.064) 0.768 31.398 ( 0.261 -1.261 -0.139) 1.295 31.413 ( -0.421 -0.911 -0.114) 1.010 41.470 ( 4.566 1.937 1.480) 5.176 41.498 ( 8.173 2.857 4.873) 9.935 41.622 ( 7.330 -4.914 1.100) 8.893 41.658 ( 8.625 -2.371 1.763) 9.117 41.957 ( 7.237 8.136 -2.262) 11.121 42.289 ( -3.237 -4.560 -10.787) 12.150 42.684 ( -19.277 5.007 6.914) 21.083 42.917 ( -25.768 -1.143 0.013) 25.793 ======================= Grid point 139 (55/120) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -2.732 3.574 2.190) 5.003 1.314 ( 2.732 3.574 2.190) 5.003 1.405 ( -5.915 -0.657 2.019) 6.285 1.405 ( 5.915 -0.657 2.019) 6.285 1.793 ( -5.674 6.198 -6.142) 10.408 1.793 ( 5.674 6.198 -6.142) 10.408 1.971 ( -4.573 -1.410 -7.552) 8.941 1.971 ( 4.573 -1.410 -7.552) 8.941 2.548 ( -8.890 4.277 4.505) 10.845 2.548 ( 8.890 4.277 4.505) 10.845 2.677 ( -6.596 -1.061 3.016) 7.330 2.677 ( 6.596 -1.061 3.016) 7.330 3.395 ( -1.600 14.520 10.622) 18.061 3.395 ( 1.600 14.520 10.622) 18.061 3.868 ( -2.080 0.340 5.639) 6.020 3.868 ( 2.080 0.340 5.639) 6.020 3.974 ( -3.510 7.322 3.531) 8.854 3.974 ( 3.510 7.322 3.531) 8.854 4.208 ( -5.967 -7.817 -2.505) 10.148 4.208 ( 5.967 -7.817 -2.505) 10.148 4.345 ( -1.840 -1.402 2.209) 3.199 4.345 ( 1.840 -1.401 2.209) 3.199 4.641 ( -1.677 -10.569 2.380) 10.963 4.641 ( 1.677 -10.569 2.380) 10.963 5.186 ( -1.655 7.108 2.985) 7.885 5.186 ( 1.655 7.108 2.985) 7.885 5.460 ( -7.190 -6.207 0.091) 9.499 5.460 ( 7.190 -6.207 0.091) 9.499 5.632 ( -1.141 4.570 -4.688) 6.646 5.632 ( 1.141 4.570 -4.688) 6.646 5.778 ( -1.118 -3.424 -5.378) 6.473 5.778 ( 1.118 -3.424 -5.378) 6.473 7.040 ( -0.565 3.212 -3.664) 4.906 7.040 ( 0.565 3.212 -3.664) 4.906 7.110 ( -0.969 -0.148 -1.322) 1.646 7.110 ( 0.969 -0.148 -1.322) 1.646 19.503 ( -0.635 2.832 -2.311) 3.710 19.503 ( 0.635 2.832 -2.311) 3.710 19.602 ( -1.172 -1.394 -2.013) 2.715 19.602 ( 1.172 -1.394 -2.013) 2.715 19.815 ( -0.468 5.961 2.218) 6.377 19.815 ( 0.468 5.961 2.218) 6.377 19.982 ( -0.404 -1.943 1.304) 2.374 19.982 ( 0.404 -1.943 1.304) 2.374 24.478 ( -3.910 -0.006 -0.148) 3.912 24.478 ( 3.910 -0.006 -0.148) 3.912 24.484 ( -3.839 -0.278 0.032) 3.849 24.484 ( 3.839 -0.278 0.032) 3.849 31.381 ( -0.736 -0.132 0.164) 0.765 31.381 ( 0.736 -0.132 0.164) 0.765 31.405 ( -0.360 -1.162 -0.173) 1.229 31.405 ( 0.360 -1.162 -0.173) 1.229 41.550 ( -2.365 2.331 2.360) 4.074 41.550 ( 2.365 2.331 2.360) 4.074 41.729 ( -2.533 -4.603 0.866) 5.325 41.729 ( 2.533 -4.603 0.866) 5.325 42.226 ( -13.395 8.148 0.877) 15.703 42.226 ( 13.395 8.148 0.877) 15.703 42.476 ( -11.776 -2.829 -2.376) 12.342 42.476 ( 11.776 -2.829 -2.376) 12.342 ======================= Grid point 144 (56/120) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.000 -9.007 0.758) 9.039 1.469 ( 0.000 9.007 0.758) 9.039 1.503 ( 0.000 -3.804 -7.946) 8.810 1.503 ( 0.000 3.804 -7.946) 8.810 1.873 ( 0.000 -0.436 -0.420) 0.605 1.873 ( 0.000 0.436 -0.420) 0.605 1.973 ( 0.000 -4.985 4.268) 6.562 1.973 ( 0.000 4.985 4.268) 6.562 2.190 ( 0.000 -11.563 -1.305) 11.636 2.190 ( 0.000 11.563 -1.305) 11.636 3.133 ( 0.000 -1.363 2.075) 2.483 3.133 ( 0.000 1.363 2.075) 2.483 3.311 ( 0.000 -6.119 1.973) 6.429 3.311 ( 0.000 6.119 1.973) 6.429 3.613 ( 0.000 -11.489 1.505) 11.587 3.613 ( 0.000 11.489 1.505) 11.587 3.796 ( 0.000 -8.526 -2.827) 8.983 3.796 ( 0.000 8.526 -2.827) 8.983 4.059 ( 0.000 -8.843 6.736) 11.116 4.059 ( 0.000 8.843 6.736) 11.116 4.192 ( 0.000 -7.518 2.629) 7.965 4.192 ( 0.000 7.518 2.629) 7.965 4.788 ( 0.000 -4.018 -7.936) 8.895 4.788 ( 0.000 4.018 -7.936) 8.895 5.060 ( 0.000 -6.327 6.580) 9.128 5.060 ( 0.000 6.327 6.580) 9.128 5.204 ( 0.000 -4.410 7.806) 8.966 5.204 ( 0.000 4.410 7.806) 8.966 5.766 ( 0.000 -3.861 -3.659) 5.319 5.766 ( 0.000 3.861 -3.659) 5.319 5.923 ( 0.000 -9.094 2.169) 9.349 5.923 ( 0.000 9.094 2.169) 9.349 7.192 ( 0.000 -1.560 -5.791) 5.998 7.192 ( 0.000 1.560 -5.791) 5.998 7.288 ( 0.000 -5.600 -4.607) 7.251 7.288 ( 0.000 5.600 -4.607) 7.251 19.523 ( 0.000 -0.951 -2.783) 2.941 19.523 ( 0.000 0.951 -2.783) 2.941 19.649 ( 0.000 -3.209 -4.191) 5.279 19.649 ( 0.000 3.209 -4.191) 5.279 19.870 ( 0.000 -1.360 2.696) 3.019 19.870 ( 0.000 1.360 2.696) 3.019 19.912 ( 0.000 -2.885 4.161) 5.064 19.912 ( 0.000 2.885 4.161) 5.064 24.029 ( 0.000 -0.201 0.005) 0.201 24.029 ( 0.000 0.201 0.005) 0.201 24.828 ( 0.000 -0.262 -0.033) 0.264 24.828 ( 0.000 0.262 -0.033) 0.264 31.354 ( 0.000 -1.064 0.285) 1.101 31.354 ( 0.000 1.064 0.285) 1.101 31.427 ( 0.000 -0.683 0.055) 0.685 31.427 ( 0.000 0.683 0.055) 0.685 41.127 ( 0.000 -3.235 1.096) 3.416 41.127 ( 0.000 3.235 1.096) 3.416 41.310 ( 0.000 -0.487 2.916) 2.957 41.310 ( 0.000 0.487 2.916) 2.957 42.233 ( 0.000 -15.595 -9.755) 18.395 42.233 ( 0.000 15.595 -9.755) 18.395 43.764 ( 0.000 -15.501 5.749) 16.532 43.764 ( 0.000 15.501 5.749) 16.532 ======================= Grid point 146 (57/120) ======================= q-point: ( 0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -2.994 -7.754 -1.185) 8.396 1.435 ( -2.994 7.754 -1.185) 8.396 1.536 ( 2.940 -5.417 -7.402) 9.632 1.536 ( 2.940 5.417 -7.402) 9.632 1.825 ( -5.188 -2.299 1.101) 5.781 1.825 ( -5.188 2.299 1.101) 5.781 1.972 ( 1.433 -6.633 5.597) 8.796 1.972 ( 1.433 6.633 5.597) 8.796 2.219 ( 2.330 -10.912 -2.954) 11.543 2.219 ( 2.330 10.912 -2.954) 11.543 3.104 ( -3.173 -3.887 1.515) 5.242 3.104 ( -3.173 3.887 1.515) 5.242 3.375 ( 5.537 -5.507 3.045) 8.382 3.375 ( 5.537 5.507 3.045) 8.382 3.624 ( 1.270 -10.097 1.242) 10.252 3.624 ( 1.270 10.097 1.242) 10.252 3.836 ( 3.581 -8.876 -2.898) 10.000 3.836 ( 3.581 8.876 -2.898) 10.000 4.045 ( -0.125 -3.269 6.534) 7.308 4.045 ( -0.125 3.269 6.534) 7.308 4.249 ( 4.221 -1.291 3.754) 5.794 4.249 ( 4.221 1.291 3.754) 5.794 4.755 ( -3.443 -2.631 -3.453) 5.540 4.755 ( -3.443 2.631 -3.453) 5.540 5.024 ( -1.503 -3.435 3.345) 5.025 5.024 ( -1.503 3.435 3.345) 5.025 5.260 ( 3.947 -10.160 6.309) 12.594 5.260 ( 3.947 10.160 6.309) 12.594 5.763 ( -0.334 -3.705 -3.833) 5.342 5.763 ( -0.334 3.705 -3.833) 5.342 5.903 ( -1.904 -8.137 1.338) 8.463 5.903 ( -1.904 8.137 1.338) 8.463 7.170 ( -1.982 -1.616 -5.651) 6.202 7.170 ( -1.982 1.616 -5.651) 6.202 7.269 ( -1.820 -4.808 -3.989) 6.507 7.269 ( -1.820 4.808 -3.989) 6.507 19.525 ( 0.141 -1.187 -2.687) 2.941 19.525 ( 0.141 1.187 -2.687) 2.941 19.639 ( -0.910 -3.124 -3.898) 5.078 19.639 ( -0.910 3.124 -3.898) 5.078 19.872 ( 0.244 -0.376 2.692) 2.729 19.872 ( 0.244 0.376 2.692) 2.729 19.919 ( 0.524 -1.942 3.675) 4.190 19.919 ( 0.524 1.942 3.675) 4.190 24.067 ( 3.636 -0.188 -0.005) 3.640 24.067 ( 3.636 0.188 -0.005) 3.640 24.805 ( -2.245 -0.239 -0.033) 2.258 24.805 ( -2.245 0.239 -0.033) 2.258 31.356 ( 0.274 -1.046 0.257) 1.111 31.356 ( 0.274 1.046 0.257) 1.111 31.423 ( -0.392 -0.568 0.053) 0.692 31.423 ( -0.392 0.568 0.053) 0.692 41.188 ( 5.833 -3.208 1.464) 6.816 41.188 ( 5.833 3.208 1.464) 6.816 41.339 ( 2.763 -1.270 2.713) 4.075 41.339 ( 2.763 1.270 2.713) 4.075 42.207 ( -2.332 -14.955 -9.428) 17.832 42.207 ( -2.332 14.955 -9.428) 17.832 43.636 ( -12.074 -14.135 5.455) 19.373 43.636 ( -12.074 14.135 5.455) 19.373 ======================= Grid point 148 (58/120) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -3.172 -4.611 -1.683) 5.845 1.364 ( -3.172 4.611 -1.683) 5.845 1.605 ( 1.268 -4.224 -3.154) 5.422 1.605 ( 1.268 4.224 -3.154) 5.422 1.698 ( -3.959 -4.505 -2.409) 6.463 1.698 ( -3.959 4.505 -2.409) 6.463 2.017 ( 1.439 -7.473 4.989) 9.100 2.017 ( 1.439 7.473 4.989) 9.100 2.288 ( 4.976 -10.153 -3.092) 11.722 2.288 ( 4.976 10.153 -3.092) 11.722 3.000 ( -6.802 -4.858 1.741) 8.538 3.000 ( -6.802 4.858 1.741) 8.538 3.495 ( 5.422 -4.353 4.978) 8.552 3.495 ( 5.422 4.353 4.978) 8.552 3.671 ( 2.982 -5.001 1.883) 6.120 3.671 ( 2.982 5.001 1.883) 6.120 3.930 ( 5.142 -8.535 -2.969) 10.397 3.930 ( 5.142 8.535 -2.969) 10.397 4.072 ( 2.351 -0.547 7.102) 7.501 4.072 ( 2.351 0.547 7.102) 7.501 4.328 ( 2.939 -6.408 3.040) 7.678 4.328 ( 2.939 6.408 3.040) 7.678 4.651 ( -5.963 -1.917 3.091) 6.985 4.651 ( -5.963 1.917 3.091) 6.985 5.049 ( 4.262 -3.259 -1.194) 5.496 5.049 ( 4.262 3.259 -1.194) 5.496 5.333 ( 2.755 -11.378 4.285) 12.466 5.333 ( 2.755 11.378 4.285) 12.466 5.751 ( -0.808 -3.071 -4.436) 5.455 5.751 ( -0.808 3.071 -4.436) 5.455 5.844 ( -3.693 -5.903 -0.689) 6.997 5.844 ( -3.693 5.903 -0.689) 6.997 7.122 ( -2.375 -1.362 -4.984) 5.686 7.122 ( -2.375 1.362 -4.984) 5.686 7.215 ( -3.226 -3.005 -2.752) 5.197 7.215 ( -3.226 3.005 -2.752) 5.197 19.530 ( 0.362 -1.694 -2.497) 3.039 19.530 ( 0.362 1.694 -2.497) 3.039 19.615 ( -1.396 -3.005 -3.293) 4.672 19.615 ( -1.396 3.005 -3.293) 4.672 19.882 ( 0.735 -1.803 2.433) 3.117 19.882 ( 0.735 1.803 2.433) 3.117 19.929 ( 0.327 -1.897 2.891) 3.474 19.929 ( 0.327 1.897 2.891) 3.474 24.173 ( 6.374 -0.165 -0.025) 6.376 24.173 ( 6.374 0.165 -0.025) 6.376 24.736 ( -4.420 -0.179 -0.036) 4.423 24.736 ( -4.420 0.179 -0.036) 4.423 31.364 ( 0.465 -0.987 0.188) 1.107 31.364 ( 0.465 0.987 0.188) 1.107 31.412 ( -0.598 -0.381 0.045) 0.710 31.412 ( -0.598 0.381 0.045) 0.710 41.358 ( 9.891 -3.086 2.396) 10.635 41.358 ( 9.891 3.086 2.396) 10.635 41.423 ( 5.488 -2.756 2.332) 6.569 41.423 ( 5.488 2.756 2.332) 6.569 42.147 ( -2.961 -13.088 -8.551) 15.912 42.147 ( -2.961 13.088 -8.551) 15.912 43.291 ( -20.500 -10.840 4.473) 23.617 43.291 ( -20.500 10.840 4.473) 23.617 ======================= Grid point 150 (59/120) ======================= q-point: ( 0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 0.111 -1.494 -0.188) 1.510 1.329 ( 0.111 1.494 -0.188) 1.510 1.496 ( -7.064 -3.381 3.820) 8.714 1.496 ( -7.064 3.381 3.820) 8.714 1.771 ( 6.409 -5.057 -9.407) 12.455 1.771 ( 6.409 5.057 -9.407) 12.455 1.999 ( -3.087 -5.512 -1.384) 6.468 1.999 ( -3.087 5.512 -1.384) 6.468 2.434 ( 8.803 -6.385 1.290) 10.951 2.434 ( 8.803 6.385 1.290) 10.951 2.832 ( -9.202 -3.670 2.957) 10.338 2.832 ( -9.202 3.670 2.957) 10.338 3.600 ( 4.929 -3.161 6.141) 8.485 3.600 ( 4.929 3.161 6.141) 8.485 3.719 ( 0.916 -4.831 4.154) 6.437 3.719 ( 0.916 4.831 4.154) 6.437 4.028 ( 3.899 -5.145 0.686) 6.492 4.028 ( 3.899 5.145 0.686) 6.492 4.109 ( 0.448 -4.899 5.615) 7.465 4.109 ( 0.448 4.899 5.615) 7.465 4.373 ( 2.256 -6.504 -0.314) 6.891 4.373 ( 2.256 6.504 -0.314) 6.891 4.537 ( -4.871 -1.061 3.423) 6.048 4.537 ( -4.871 1.061 3.423) 6.048 5.185 ( 7.885 -4.455 -0.381) 9.064 5.185 ( 7.885 4.455 -0.381) 9.064 5.366 ( 0.209 -9.517 3.218) 10.048 5.366 ( 0.209 9.517 3.218) 10.048 5.727 ( -1.421 -2.966 -5.174) 6.131 5.727 ( -1.421 2.966 -5.174) 6.131 5.763 ( -3.697 -3.625 -3.244) 6.110 5.763 ( -3.697 3.625 -3.244) 6.110 7.085 ( -0.873 -0.687 -3.711) 3.874 7.085 ( -0.873 0.687 -3.711) 3.874 7.145 ( -3.287 -1.400 -1.986) 4.087 7.145 ( -3.287 1.400 -1.986) 4.087 19.540 ( 0.705 -2.232 -2.391) 3.346 19.540 ( 0.705 2.232 -2.391) 3.346 19.585 ( -1.400 -2.897 -2.774) 4.248 19.585 ( -1.400 2.897 -2.774) 4.248 19.900 ( 0.973 -2.895 2.131) 3.724 19.900 ( 0.973 2.895 2.131) 3.724 19.930 ( -0.237 -2.787 2.316) 3.632 19.930 ( -0.237 2.787 2.316) 3.632 24.320 ( 7.692 -0.135 -0.040) 7.693 24.320 ( 7.692 0.135 -0.040) 7.693 24.625 ( -6.319 -0.107 -0.040) 6.320 24.625 ( -6.319 0.107 -0.040) 6.320 31.375 ( 0.554 -0.873 0.109) 1.040 31.375 ( 0.554 0.873 0.109) 1.040 31.399 ( -0.625 -0.467 0.039) 0.781 31.399 ( -0.625 0.467 0.039) 0.781 41.521 ( 6.058 -3.031 1.414) 6.920 41.521 ( 6.058 3.031 1.414) 6.920 41.585 ( 7.563 -3.713 3.546) 9.142 41.585 ( 7.563 3.713 3.546) 9.142 42.135 ( 3.999 -9.423 -6.450) 12.099 42.135 ( 3.999 9.423 -6.450) 12.099 42.829 ( -23.244 -7.289 2.550) 24.493 42.829 ( -23.244 7.289 2.550) 24.493 ======================= Grid point 152 (60/120) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -4.249 -2.463 2.077) 5.333 1.375 ( 1.805 -1.538 2.077) 3.153 1.375 ( -1.805 1.538 2.077) 3.153 1.375 ( 4.249 2.463 2.077) 5.333 1.903 ( -5.855 -4.958 -6.740) 10.213 1.903 ( 5.284 -4.795 -6.740) 9.816 1.903 ( -5.284 4.795 -6.740) 9.816 1.903 ( 5.855 4.958 -6.740) 10.213 2.631 ( -9.823 -3.588 3.433) 11.006 2.631 ( -7.407 1.572 3.433) 8.314 2.631 ( 7.407 -1.572 3.433) 8.314 2.631 ( 9.823 3.588 3.433) 11.006 3.692 ( -1.324 -15.007 6.179) 16.283 3.692 ( 0.611 -14.995 6.179) 16.230 3.692 ( -0.611 14.995 6.179) 16.230 3.692 ( 1.324 15.007 6.179) 16.283 4.087 ( -2.053 -5.609 3.596) 6.972 4.087 ( 2.039 -5.608 3.596) 6.967 4.087 ( -2.039 5.608 3.596) 6.967 4.087 ( 2.053 5.609 3.596) 6.972 4.443 ( -1.989 -9.326 0.203) 9.538 4.443 ( 0.247 -9.274 0.203) 9.279 4.443 ( -0.247 9.274 0.203) 9.279 4.443 ( 1.989 9.326 0.203) 9.538 5.325 ( -4.450 -7.133 2.015) 8.645 5.325 ( 3.960 -7.060 2.015) 8.342 5.325 ( -3.960 7.060 2.015) 8.342 5.325 ( 4.450 7.133 2.015) 8.645 5.713 ( -0.700 -3.555 -5.180) 6.321 5.713 ( 0.678 -3.554 -5.180) 6.318 5.713 ( -0.678 3.554 -5.180) 6.318 5.713 ( 0.700 3.555 -5.180) 6.321 7.092 ( -1.117 -1.804 -2.401) 3.204 7.092 ( 0.093 -1.716 -2.401) 2.952 7.092 ( -0.093 1.716 -2.401) 2.952 7.092 ( 1.117 1.804 -2.401) 3.204 19.559 ( -1.070 -2.774 -2.473) 3.867 19.559 ( 1.030 -2.770 -2.473) 3.854 19.559 ( -1.030 2.770 -2.473) 3.854 19.559 ( 1.070 2.774 -2.473) 3.867 19.919 ( -0.579 -4.470 2.062) 4.956 19.919 ( 0.515 -4.468 2.062) 4.947 19.919 ( -0.515 4.468 2.062) 4.947 19.919 ( 0.579 4.470 2.062) 4.956 24.480 ( -7.558 -0.096 -0.043) 7.558 24.480 ( -7.557 0.087 -0.043) 7.558 24.480 ( 7.557 -0.087 -0.043) 7.558 24.480 ( 7.558 0.096 -0.043) 7.558 31.387 ( -0.592 -0.695 0.055) 0.914 31.387 ( 0.585 -0.694 0.055) 0.909 31.387 ( -0.585 0.694 0.055) 0.909 31.387 ( 0.592 0.695 0.055) 0.914 41.624 ( -2.907 -5.114 1.629) 6.104 41.624 ( 2.599 -5.072 1.629) 5.928 41.624 ( -2.599 5.072 1.629) 5.928 41.624 ( 2.907 5.114 1.629) 6.104 42.380 ( -18.093 -6.472 -1.019) 19.243 42.380 ( -12.746 0.812 -1.019) 12.813 42.380 ( 12.746 -0.812 -1.019) 12.813 42.380 ( 18.093 6.472 -1.019) 19.243 ======================= Grid point 198 (61/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 0.000 0.000 16.159) 16.159 0.698 ( 0.000 0.000 16.152) 16.152 1.041 ( 0.000 0.000 2.324) 2.324 1.266 ( 0.000 0.000 -13.216) 13.216 1.575 ( 0.000 0.000 -4.443) 4.443 1.609 ( 0.000 0.000 35.308) 35.308 1.639 ( 0.000 0.000 -3.643) 3.643 1.965 ( 0.000 0.000 0.035) 0.035 2.034 ( 0.000 0.000 4.586) 4.586 2.322 ( 0.000 0.000 1.540) 1.540 2.493 ( 0.000 0.000 15.631) 15.631 2.576 ( 0.000 0.000 -8.974) 8.974 2.957 ( 0.000 0.000 -20.703) 20.703 3.045 ( 0.000 0.000 -11.966) 11.966 3.243 ( 0.000 0.000 6.860) 6.860 3.302 ( 0.000 0.000 34.060) 34.060 3.483 ( 0.000 0.000 11.506) 11.506 3.663 ( 0.000 0.000 8.403) 8.403 3.740 ( 0.000 0.000 -14.496) 14.496 3.870 ( 0.000 0.000 -5.736) 5.736 4.134 ( 0.000 0.000 -14.433) 14.433 4.328 ( 0.000 0.000 9.367) 9.367 4.528 ( 0.000 0.000 -23.837) 23.837 4.744 ( 0.000 0.000 -7.272) 7.272 4.795 ( 0.000 0.000 8.699) 8.699 4.894 ( 0.000 0.000 2.525) 2.525 4.934 ( 0.000 0.000 9.257) 9.257 5.249 ( 0.000 0.000 -5.757) 5.757 5.864 ( 0.000 0.000 10.328) 10.328 6.225 ( 0.000 0.000 10.642) 10.642 6.290 ( 0.000 0.000 -9.784) 9.784 6.648 ( 0.000 0.000 -8.938) 8.938 7.163 ( 0.000 0.000 5.230) 5.230 7.300 ( 0.000 0.000 -0.679) 0.679 7.303 ( 0.000 0.000 0.640) 0.640 7.465 ( 0.000 0.000 -7.378) 7.378 19.283 ( 0.000 0.000 2.125) 2.125 19.372 ( 0.000 0.000 -2.012) 2.012 19.473 ( 0.000 0.000 4.332) 4.332 19.563 ( 0.000 0.000 0.712) 0.712 19.593 ( 0.000 0.000 -0.691) 0.691 19.751 ( 0.000 0.000 -8.798) 8.798 19.839 ( 0.000 0.000 7.611) 7.611 20.092 ( 0.000 0.000 -3.803) 3.803 24.034 ( 0.000 0.000 0.308) 0.308 24.048 ( 0.000 0.000 -0.342) 0.342 24.831 ( 0.000 0.000 0.399) 0.399 24.850 ( 0.000 0.000 -0.456) 0.456 31.431 ( 0.000 0.000 0.561) 0.561 31.466 ( 0.000 0.000 -1.051) 1.051 31.472 ( 0.000 0.000 1.210) 1.210 31.518 ( 0.000 0.000 -0.953) 0.953 40.873 ( 0.000 0.000 6.145) 6.145 41.139 ( 0.000 0.000 -6.172) 6.172 41.395 ( 0.000 0.000 3.601) 3.601 41.518 ( 0.000 0.000 -2.098) 2.098 41.772 ( 0.000 0.000 3.049) 3.049 41.903 ( 0.000 0.000 -3.014) 3.014 44.335 ( 0.000 0.000 1.289) 1.289 44.393 ( 0.000 0.000 -1.363) 1.363 ======================= Grid point 199 (62/120) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 6.198 0.000 14.015) 15.325 0.772 ( 6.014 0.000 10.492) 12.093 1.067 ( 2.415 0.000 2.478) 3.460 1.236 ( -2.327 0.000 -12.195) 12.415 1.564 ( -1.189 0.000 -4.190) 4.356 1.622 ( -1.648 0.000 -3.336) 3.721 1.653 ( 5.364 0.000 31.117) 31.576 1.907 ( -4.844 0.000 1.606) 5.104 2.000 ( -3.410 0.000 3.737) 5.059 2.312 ( -0.754 0.000 0.972) 1.230 2.493 ( 0.393 0.000 12.319) 12.325 2.563 ( -1.128 0.000 -9.258) 9.327 2.937 ( -2.893 0.000 -18.029) 18.260 3.026 ( -1.613 0.000 -12.175) 12.281 3.343 ( -8.790 0.000 12.011) 14.884 3.356 ( 6.726 0.000 30.470) 31.204 3.516 ( 20.447 0.000 8.123) 22.001 3.699 ( -3.487 0.000 5.239) 6.294 3.866 ( 10.969 0.000 -9.894) 14.772 3.896 ( 6.113 0.000 -3.841) 7.220 4.231 ( 7.616 0.000 -12.638) 14.755 4.353 ( 2.062 0.000 9.182) 9.411 4.511 ( -1.280 0.000 -17.920) 17.966 4.748 ( 0.334 0.000 -6.849) 6.857 4.836 ( 3.603 0.000 3.084) 4.743 4.881 ( -0.906 0.000 2.288) 2.461 4.986 ( 5.178 0.000 8.003) 9.532 5.268 ( 2.175 0.000 -5.015) 5.466 5.855 ( -0.827 0.000 9.923) 9.957 6.191 ( -3.323 0.000 10.104) 10.636 6.245 ( -4.293 0.000 -8.564) 9.580 6.594 ( -5.233 0.000 -8.509) 9.989 7.119 ( -3.904 0.000 2.972) 4.906 7.199 ( -7.800 0.000 0.506) 7.817 7.303 ( -1.730 0.000 -0.322) 1.760 7.411 ( -3.892 0.000 -4.506) 5.954 19.293 ( 0.957 0.000 2.080) 2.289 19.380 ( 0.780 0.000 -1.975) 2.123 19.483 ( 0.945 0.000 4.276) 4.379 19.552 ( -1.082 0.000 0.793) 1.341 19.585 ( -0.784 0.000 -0.763) 1.094 19.741 ( -1.333 0.000 -5.219) 5.387 19.819 ( -1.140 0.000 5.003) 5.131 20.070 ( -1.975 0.000 -4.072) 4.525 24.083 ( 4.027 0.000 -0.365) 4.044 24.087 ( 4.043 0.000 -0.500) 4.074 24.808 ( -2.207 0.000 0.331) 2.232 24.825 ( -2.425 0.000 -0.419) 2.461 31.433 ( 0.146 0.000 0.444) 0.467 31.458 ( -0.538 0.000 -0.263) 0.599 31.474 ( 0.080 0.000 -0.002) 0.080 31.504 ( -1.121 0.000 -0.844) 1.404 40.905 ( 3.066 0.000 6.088) 6.817 41.169 ( 2.831 0.000 -6.122) 6.745 41.451 ( 5.172 0.000 3.929) 6.495 41.580 ( 6.271 0.000 -2.012) 6.586 41.735 ( -3.563 0.000 3.308) 4.862 41.877 ( -2.576 0.000 -3.264) 4.159 43.919 ( -35.212 0.000 16.883) 39.050 44.212 ( -15.532 0.000 -1.371) 15.592 ======================= Grid point 200 (63/120) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 8.971 0.000 9.936) 13.386 0.920 ( 8.293 0.000 2.966) 8.807 1.136 ( 4.135 0.000 2.842) 5.018 1.210 ( 0.538 0.000 -10.189) 10.203 1.520 ( -3.112 0.000 -3.358) 4.578 1.572 ( -3.103 0.000 -2.491) 3.980 1.777 ( -6.329 0.000 2.957) 6.986 1.834 ( 8.117 0.000 14.018) 16.199 1.894 ( -4.792 0.000 10.060) 11.142 2.305 ( 0.464 0.000 -0.543) 0.714 2.530 ( 3.510 0.000 5.510) 6.533 2.535 ( -1.530 0.000 -9.898) 10.015 2.828 ( -7.423 0.000 -9.996) 12.450 2.986 ( -2.547 0.000 -11.985) 12.253 3.189 ( -5.567 0.000 13.494) 14.598 3.527 ( 9.697 0.000 29.708) 31.251 3.556 ( -8.723 0.000 1.416) 8.837 3.915 ( 14.563 0.000 12.624) 19.273 4.056 ( 7.851 0.000 1.237) 7.948 4.115 ( 11.584 0.000 -0.451) 11.593 4.387 ( 3.127 0.000 0.920) 3.260 4.396 ( 5.230 0.000 -4.555) 6.935 4.488 ( -0.941 0.000 -8.727) 8.778 4.750 ( -0.496 0.000 -7.364) 7.381 4.882 ( 1.749 0.000 -1.829) 2.530 4.932 ( 5.289 0.000 -2.870) 6.017 5.151 ( 10.650 0.000 5.746) 12.101 5.359 ( 7.099 0.000 -3.154) 7.768 5.838 ( -0.584 0.000 8.137) 8.158 6.088 ( -6.596 0.000 8.707) 10.924 6.126 ( -6.688 0.000 -5.967) 8.963 6.435 ( -9.970 0.000 -7.260) 12.333 7.024 ( -6.651 0.000 0.075) 6.652 7.035 ( -4.490 0.000 -0.992) 4.598 7.237 ( -4.415 0.000 -1.244) 4.587 7.327 ( -4.461 0.000 -3.558) 5.706 19.321 ( 1.788 0.000 1.945) 2.642 19.403 ( 1.433 0.000 -1.861) 2.349 19.510 ( 1.650 0.000 4.129) 4.446 19.520 ( -1.929 0.000 0.994) 2.170 19.562 ( -1.475 0.000 -0.939) 1.749 19.694 ( -2.722 0.000 2.230) 3.519 19.817 ( 0.868 0.000 -2.019) 2.198 20.017 ( -3.030 0.000 -4.570) 5.483 24.187 ( 6.187 0.000 -0.096) 6.188 24.204 ( 6.650 0.000 -1.370) 6.789 24.741 ( -4.269 0.000 0.137) 4.271 24.751 ( -4.643 0.000 -0.325) 4.654 31.434 ( -0.137 0.000 0.001) 0.137 31.449 ( -0.289 0.000 -0.784) 0.836 31.471 ( -0.380 0.000 -0.247) 0.454 31.485 ( -0.459 0.000 -0.771) 0.897 40.997 ( 5.718 0.000 5.907) 8.221 41.253 ( 5.178 0.000 -5.953) 7.889 41.595 ( 8.681 0.000 6.113) 10.617 41.631 ( -6.305 0.000 3.912) 7.420 41.789 ( 13.987 0.000 -2.775) 14.259 41.799 ( -4.934 0.000 -3.853) 6.260 43.165 ( -34.043 0.000 30.251) 45.541 43.781 ( -25.102 0.000 -5.058) 25.607 ======================= Grid point 201 (64/120) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 8.686 0.000 6.462) 10.826 1.113 ( 10.074 0.000 -1.137) 10.138 1.225 ( 3.864 0.000 3.624) 5.297 1.270 ( 4.943 0.000 -7.652) 9.109 1.440 ( -4.150 0.000 -2.458) 4.824 1.496 ( -4.238 0.000 -1.608) 4.533 1.610 ( -8.602 0.000 2.217) 8.883 1.705 ( -9.446 0.000 -1.040) 9.503 2.109 ( 13.577 0.000 14.046) 19.535 2.340 ( 2.937 0.000 -2.800) 4.058 2.492 ( -2.905 0.000 -8.983) 9.441 2.625 ( -2.713 0.000 -7.889) 8.342 2.650 ( -1.621 0.000 4.314) 4.608 2.909 ( -5.030 0.000 -8.706) 10.055 3.133 ( 0.440 0.000 12.230) 12.238 3.368 ( -9.027 0.000 3.568) 9.707 3.742 ( 10.642 0.000 28.618) 30.533 4.049 ( -0.746 0.000 22.471) 22.483 4.202 ( 6.256 0.000 3.518) 7.178 4.319 ( 7.670 0.000 5.247) 9.293 4.380 ( -1.992 0.000 7.020) 7.297 4.465 ( -1.348 0.000 0.163) 1.357 4.528 ( 5.829 0.000 -11.292) 12.708 4.716 ( -2.824 0.000 -8.938) 9.374 4.954 ( 4.587 0.000 -5.742) 7.349 5.029 ( 3.152 0.000 -5.212) 6.091 5.403 ( 13.014 0.000 4.333) 13.716 5.564 ( 12.186 0.000 -2.388) 12.418 5.843 ( 1.387 0.000 4.382) 4.596 5.924 ( -8.973 0.000 6.957) 11.354 5.994 ( -5.634 0.000 -3.592) 6.682 6.190 ( -13.496 0.000 -5.277) 14.491 6.927 ( -1.820 0.000 -1.881) 2.617 6.984 ( -1.327 0.000 -3.656) 3.889 7.141 ( -3.938 0.000 -3.364) 5.180 7.224 ( -5.326 0.000 -4.852) 7.205 19.365 ( 2.368 0.000 1.725) 2.930 19.436 ( 1.494 0.000 -1.509) 2.123 19.476 ( -2.059 0.000 1.082) 2.326 19.526 ( -1.932 0.000 -1.155) 2.251 19.549 ( 2.031 0.000 3.967) 4.457 19.640 ( -2.449 0.000 3.788) 4.511 19.847 ( 1.885 0.000 -4.148) 4.556 19.952 ( -3.089 0.000 -4.840) 5.742 24.330 ( 7.493 0.000 -0.016) 7.493 24.350 ( 7.292 0.000 -1.196) 7.389 24.633 ( -6.222 0.000 -0.070) 6.223 24.637 ( -6.140 0.000 -0.303) 6.147 31.430 ( -0.092 0.000 -0.650) 0.656 31.441 ( -0.518 0.000 -1.321) 1.419 31.469 ( 0.225 0.000 -0.098) 0.245 31.481 ( -0.175 0.000 -0.691) 0.712 41.136 ( 7.574 0.000 5.563) 9.397 41.373 ( 5.637 0.000 -5.113) 7.610 41.487 ( -6.847 0.000 4.062) 7.961 41.678 ( -6.607 0.000 -4.494) 7.991 41.812 ( 12.464 0.000 11.065) 16.667 42.145 ( 19.476 0.000 -4.074) 19.898 42.571 ( -22.972 0.000 26.001) 34.695 43.223 ( -27.996 0.000 -7.109) 28.885 ======================= Grid point 202 (65/120) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -4.922 0.000 4.840) 6.903 1.228 ( 4.922 0.000 4.840) 6.903 1.303 ( -6.175 0.000 -3.346) 7.023 1.303 ( 6.175 0.000 -3.346) 7.023 1.413 ( -2.721 0.000 -1.927) 3.334 1.413 ( 2.721 0.000 -1.927) 3.334 1.531 ( -4.962 0.000 -0.641) 5.003 1.531 ( 4.962 0.000 -0.641) 5.003 2.387 ( -13.031 0.000 3.871) 13.594 2.387 ( 13.031 0.000 3.871) 13.594 2.417 ( -4.094 0.000 -5.823) 7.118 2.417 ( 4.094 0.000 -5.823) 7.118 2.783 ( -6.913 0.000 -4.205) 8.091 2.783 ( 6.913 0.000 -4.205) 8.091 3.205 ( -6.223 0.000 7.823) 9.996 3.205 ( 6.223 0.000 7.823) 9.996 3.944 ( -8.317 0.000 26.842) 28.101 3.944 ( 8.317 0.000 26.842) 28.101 4.313 ( -4.391 0.000 5.370) 6.937 4.313 ( 4.391 0.000 5.370) 6.937 4.425 ( -3.012 0.000 5.335) 6.126 4.425 ( 3.012 0.000 5.335) 6.126 4.637 ( -4.696 0.000 -10.202) 11.231 4.637 ( 4.696 0.000 -10.202) 11.231 5.035 ( -2.433 0.000 -5.730) 6.225 5.035 ( 2.433 0.000 -5.730) 6.225 5.655 ( -9.868 0.000 3.505) 10.472 5.655 ( 9.868 0.000 3.505) 10.472 5.898 ( -3.756 0.000 -0.076) 3.756 5.898 ( 3.756 0.000 -0.076) 3.756 5.902 ( -12.777 0.000 -1.868) 12.913 5.902 ( 12.777 0.000 -1.868) 12.913 6.943 ( -2.555 0.000 -3.108) 4.024 6.943 ( 2.555 0.000 -3.108) 4.024 7.129 ( -2.976 0.000 -5.648) 6.384 7.129 ( 2.976 0.000 -5.648) 6.384 19.416 ( -2.499 0.000 1.352) 2.841 19.416 ( 2.499 0.000 1.352) 2.841 19.485 ( -1.966 0.000 -1.281) 2.347 19.485 ( 1.966 0.000 -1.281) 2.347 19.592 ( -2.211 0.000 3.890) 4.475 19.592 ( 2.211 0.000 3.890) 4.475 19.893 ( -2.597 0.000 -4.734) 5.399 19.893 ( 2.597 0.000 -4.734) 5.399 24.480 ( -3.271 0.000 -0.400) 3.296 24.480 ( 3.271 0.000 -0.400) 3.296 24.509 ( -2.805 0.000 -0.337) 2.825 24.509 ( 2.805 0.000 -0.337) 2.825 31.432 ( -0.292 0.000 -1.096) 1.134 31.432 ( 0.292 0.000 -1.096) 1.134 31.476 ( -0.325 0.000 -0.444) 0.550 31.476 ( 0.325 0.000 -0.444) 0.550 41.301 ( -8.164 0.000 4.863) 9.503 41.301 ( 8.164 0.000 4.863) 9.503 41.534 ( -7.045 0.000 -4.854) 8.556 41.534 ( 7.045 0.000 -4.854) 8.556 42.113 ( -16.638 0.000 17.749) 24.328 42.113 ( 16.638 0.000 17.749) 24.328 42.664 ( -25.224 0.000 -5.997) 25.927 42.664 ( 25.224 0.000 -5.997) 25.927 ======================= Grid point 207 (66/120) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 0.000 5.341 14.655) 15.598 0.871 ( 0.000 13.216 8.667) 15.804 1.128 ( 0.000 7.697 -0.283) 7.702 1.295 ( 0.000 2.611 -12.469) 12.739 1.638 ( 0.000 5.131 23.577) 24.129 1.699 ( 0.000 8.969 -1.757) 9.139 1.734 ( 0.000 10.749 0.235) 10.752 1.915 ( 0.000 -1.776 -2.282) 2.892 1.936 ( 0.000 -4.618 12.105) 12.956 2.449 ( 0.000 -3.622 14.771) 15.208 2.485 ( 0.000 14.362 3.684) 14.827 2.710 ( 0.000 6.220 1.765) 6.466 2.949 ( 0.000 -0.901 -18.302) 18.324 2.995 ( 0.000 -4.325 -13.731) 14.396 3.243 ( 0.000 0.152 7.141) 7.143 3.408 ( 0.000 9.410 12.203) 15.410 3.558 ( 0.000 6.544 8.137) 10.442 3.710 ( 0.000 -2.114 -11.693) 11.883 3.831 ( 0.000 13.932 12.561) 18.758 3.914 ( 0.000 4.058 -5.707) 7.003 4.193 ( 0.000 5.091 -17.815) 18.528 4.429 ( 0.000 9.273 14.697) 17.378 4.609 ( 0.000 8.544 -17.177) 19.184 4.814 ( 0.000 6.421 -3.448) 7.288 4.894 ( 0.000 6.089 7.088) 9.344 4.910 ( 0.000 1.873 1.398) 2.337 4.935 ( 0.000 3.377 6.771) 7.566 5.250 ( 0.000 0.012 -6.010) 6.010 5.801 ( 0.000 -6.305 10.369) 12.136 6.205 ( 0.000 -2.160 10.376) 10.598 6.237 ( 0.000 -5.505 -10.432) 11.795 6.582 ( 0.000 -6.413 -6.934) 9.445 7.074 ( 0.000 -8.291 2.877) 8.776 7.185 ( 0.000 -11.553 -1.761) 11.686 7.269 ( 0.000 -3.192 0.553) 3.239 7.407 ( 0.000 -3.142 -6.282) 7.024 19.355 ( 0.000 6.662 2.108) 6.988 19.431 ( 0.000 5.754 -1.537) 5.956 19.471 ( 0.000 -0.188 3.487) 3.492 19.540 ( 0.000 -1.664 1.724) 2.396 19.579 ( 0.000 -1.419 -1.366) 1.969 19.748 ( 0.000 -0.447 -8.245) 8.257 19.847 ( 0.000 0.969 6.755) 6.825 20.074 ( 0.000 -1.584 -3.365) 3.719 24.033 ( 0.000 -0.079 0.294) 0.305 24.047 ( 0.000 -0.148 -0.324) 0.356 24.831 ( 0.000 -0.067 0.379) 0.385 24.848 ( 0.000 -0.160 -0.434) 0.463 31.420 ( 0.000 -1.025 0.642) 1.209 31.457 ( 0.000 -0.833 -1.064) 1.351 31.467 ( 0.000 -0.522 1.156) 1.268 31.511 ( 0.000 -0.743 -0.910) 1.175 40.898 ( 0.000 2.442 5.930) 6.413 41.154 ( 0.000 1.315 -5.887) 6.032 41.380 ( 0.000 -0.896 2.825) 2.964 41.452 ( 0.000 -4.278 -0.379) 4.295 41.936 ( 0.000 13.511 0.240) 13.513 41.950 ( 0.000 2.924 0.376) 2.948 44.209 ( 0.000 -12.239 2.080) 12.414 44.319 ( 0.000 -6.150 -3.713) 7.184 ======================= Grid point 208 (67/120) ======================= q-point: ( 0.12 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 4.654 5.213 11.387) 13.360 0.922 ( 4.751 11.376 7.111) 14.232 1.151 ( 2.175 7.527 -0.153) 7.837 1.264 ( -2.414 2.718 -11.233) 11.807 1.649 ( -2.298 4.200 3.450) 5.901 1.682 ( 0.101 5.152 4.533) 6.863 1.732 ( 1.634 12.112 8.795) 15.058 1.859 ( -4.013 -1.430 2.883) 5.144 1.932 ( -1.311 -3.482 9.112) 9.842 2.438 ( 0.010 3.728 8.722) 9.485 2.513 ( 1.711 9.138 6.759) 11.494 2.688 ( -0.673 7.732 -0.211) 7.764 2.937 ( -2.212 -0.724 -17.066) 17.224 2.985 ( -1.010 -3.471 -13.677) 14.147 3.338 ( -5.312 6.279 13.316) 15.652 3.424 ( 10.950 -0.613 9.950) 14.808 3.612 ( 9.354 9.093 8.231) 15.425 3.785 ( 0.269 2.158 0.317) 2.198 3.847 ( 3.906 4.944 -1.594) 6.500 3.963 ( 7.389 5.231 -2.936) 9.517 4.285 ( 7.140 4.398 -15.028) 17.210 4.428 ( -0.330 7.071 14.277) 15.936 4.614 ( 0.380 10.125 -13.860) 17.169 4.801 ( -0.318 4.996 -1.653) 5.272 4.898 ( -0.521 1.976 1.103) 2.322 4.937 ( 1.154 8.193 3.095) 8.833 4.989 ( 6.814 1.695 5.586) 8.973 5.265 ( 1.879 -0.417 -5.053) 5.407 5.790 ( -1.080 -6.557 9.755) 11.803 6.163 ( -3.912 -3.289 6.113) 7.968 6.198 ( -3.843 -4.524 -5.765) 8.274 6.524 ( -5.487 -6.765 -6.676) 10.975 7.040 ( -3.017 -7.343 1.111) 8.016 7.101 ( -6.418 -9.159 -0.900) 11.220 7.276 ( -0.638 -2.607 -0.614) 2.753 7.367 ( -3.257 -2.957 -4.633) 6.389 19.360 ( 0.449 6.206 2.142) 6.580 19.433 ( 0.201 4.988 -1.374) 5.178 19.478 ( 0.558 -0.538 3.202) 3.294 19.533 ( -0.605 -1.051 1.501) 1.929 19.575 ( -0.318 -0.970 -1.109) 1.507 19.738 ( -1.109 -0.365 -5.731) 5.849 19.835 ( -0.654 1.649 4.833) 5.148 20.057 ( -1.591 -1.189 -3.564) 4.080 24.079 ( 4.082 -0.309 -0.223) 4.100 24.085 ( 3.777 -0.182 -0.357) 3.798 24.808 ( -2.211 -0.071 0.316) 2.235 24.823 ( -2.413 -0.147 -0.399) 2.451 31.422 ( 0.157 -1.027 0.543) 1.172 31.452 ( -0.437 -0.616 -0.466) 0.888 31.467 ( 0.007 -0.703 0.196) 0.730 31.498 ( -1.113 -0.683 -0.797) 1.530 40.935 ( 3.536 2.934 5.857) 7.444 41.188 ( 3.199 1.776 -5.828) 6.882 41.428 ( 4.283 -1.724 3.173) 5.602 41.507 ( 5.551 -4.323 -0.315) 7.043 41.879 ( -4.386 9.541 1.573) 10.618 41.951 ( -0.765 7.028 -1.092) 7.154 43.905 ( -29.879 -1.733 9.330) 31.349 44.101 ( -15.757 -10.255 -0.618) 18.810 ======================= Grid point 209 (68/120) ======================= q-point: ( 0.25 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 7.403 4.292 6.460) 10.722 1.049 ( 7.071 8.790 4.075) 11.995 1.206 ( 1.599 5.431 -0.360) 5.673 1.236 ( 1.739 3.551 -8.395) 9.280 1.576 ( -4.080 4.637 -0.655) 6.211 1.625 ( -4.565 4.095 -1.176) 6.244 1.734 ( -5.506 -1.905 2.222) 6.236 1.823 ( -2.031 -1.368 -2.765) 3.694 1.941 ( 6.922 7.765 23.242) 25.463 2.464 ( 2.370 9.664 4.149) 10.780 2.549 ( 2.216 5.646 4.917) 7.808 2.695 ( 0.730 11.034 -4.769) 12.042 2.855 ( -5.343 3.702 -11.317) 13.051 2.949 ( -2.784 -2.591 -11.993) 12.581 3.222 ( -4.424 5.184 14.555) 16.071 3.560 ( 0.857 3.658 8.765) 9.537 3.702 ( -0.764 10.593 13.884) 17.480 3.921 ( 14.316 0.996 7.474) 16.181 4.032 ( 9.039 -2.832 1.055) 9.530 4.138 ( 9.245 3.412 -0.033) 9.855 4.391 ( -0.221 1.082 6.362) 6.457 4.457 ( 5.964 5.309 -8.080) 11.360 4.617 ( -0.141 11.747 -4.966) 12.754 4.795 ( -0.533 3.087 -2.925) 4.286 4.899 ( 0.633 2.746 -3.944) 4.847 4.966 ( 1.753 3.246 0.366) 3.707 5.177 ( 10.851 2.721 4.331) 11.996 5.355 ( 7.364 -0.592 -2.801) 7.901 5.761 ( -1.507 -7.548 7.842) 10.988 6.054 ( -6.418 -4.195 1.575) 7.827 6.084 ( -6.767 -3.861 -1.041) 7.861 6.367 ( -9.473 -6.548 -6.317) 13.135 6.962 ( -4.918 -5.565 -1.155) 7.516 6.981 ( -3.274 -4.964 -2.213) 6.345 7.225 ( -4.190 -0.931 -1.803) 4.655 7.292 ( -3.964 -3.175 -3.432) 6.130 19.375 ( 0.988 4.948 2.048) 5.446 19.440 ( 0.467 3.016 -1.005) 3.213 19.487 ( 0.034 -1.481 1.899) 2.409 19.518 ( -0.779 0.243 1.286) 1.523 19.569 ( -0.028 0.582 -0.096) 0.591 19.702 ( -2.169 0.489 -0.309) 2.245 19.837 ( 0.868 2.045 -0.232) 2.233 20.013 ( -2.461 -0.221 -3.916) 4.631 24.185 ( 6.215 -0.170 -0.099) 6.218 24.198 ( 6.619 -0.541 -0.982) 6.713 24.740 ( -4.282 -0.088 0.138) 4.285 24.750 ( -4.636 -0.121 -0.308) 4.648 31.425 ( 0.058 -0.895 0.187) 0.916 31.443 ( -0.360 -0.545 -0.669) 0.935 31.465 ( -0.281 -0.658 -0.321) 0.784 31.476 ( -0.712 -0.884 -0.653) 1.309 41.040 ( 6.488 4.235 5.573) 9.544 41.280 ( 5.575 2.689 -5.594) 8.343 41.543 ( 6.400 -2.644 4.678) 8.356 41.668 ( 8.420 -3.830 -0.335) 9.256 41.767 ( -6.095 8.069 3.108) 10.579 41.943 ( 1.992 7.391 -3.165) 8.283 43.209 ( -33.562 4.417 21.336) 40.014 43.684 ( -24.049 -9.491 -3.994) 26.161 ======================= Grid point 210 (69/120) ======================= q-point: ( 0.38 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 8.689 2.776 3.535) 9.783 1.198 ( 6.726 5.906 0.621) 8.973 1.229 ( 2.460 1.069 -0.186) 2.688 1.327 ( 4.971 4.312 -4.129) 7.769 1.481 ( -5.124 3.918 -0.994) 6.527 1.516 ( -5.778 2.354 -0.378) 6.251 1.606 ( -5.648 0.222 1.810) 5.935 1.716 ( -6.620 1.449 -3.312) 7.543 2.156 ( 11.715 6.059 13.124) 18.606 2.507 ( 0.071 10.424 1.382) 10.515 2.621 ( 4.675 -0.538 0.340) 4.718 2.671 ( -2.810 10.902 -4.339) 12.066 2.757 ( -3.217 19.004 -7.550) 20.700 2.867 ( -4.933 -2.011 -7.564) 9.252 3.190 ( 1.699 4.631 14.498) 15.315 3.447 ( -8.104 6.850 4.234) 11.425 3.815 ( 8.055 6.633 22.078) 24.420 4.063 ( -0.403 1.393 18.142) 18.199 4.182 ( 5.958 -2.073 6.459) 9.029 4.345 ( 8.454 3.397 2.475) 9.441 4.364 ( -0.885 -0.747 6.900) 6.996 4.550 ( 0.895 6.653 -2.817) 7.280 4.635 ( 3.195 10.013 -6.189) 12.197 4.774 ( -1.742 4.611 -7.224) 8.745 4.930 ( 2.463 -1.432 -6.273) 6.890 4.998 ( 0.898 -2.138 -2.541) 3.440 5.410 ( 11.076 0.341 4.641) 12.013 5.564 ( 12.095 -0.458 -2.031) 12.273 5.733 ( -1.348 -9.402 5.769) 11.113 5.915 ( -6.347 -2.728 2.493) 7.344 5.945 ( -5.984 -4.792 -4.028) 8.660 6.139 ( -12.407 -4.985 -5.299) 14.383 6.895 ( -0.909 -2.727 -2.262) 3.658 6.947 ( -0.626 -3.254 -3.794) 5.037 7.130 ( -4.016 -0.956 -3.177) 5.209 7.200 ( -4.871 -2.272 -4.515) 7.019 19.400 ( 1.451 3.094 1.683) 3.809 19.451 ( 0.334 -0.269 -0.265) 0.504 19.474 ( -0.873 1.293 0.391) 1.608 19.502 ( -0.932 -0.228 0.324) 1.013 19.582 ( 1.263 1.955 1.704) 2.884 19.657 ( -2.102 1.345 1.813) 3.085 19.866 ( 1.818 2.009 -2.742) 3.855 19.960 ( -2.589 0.861 -4.029) 4.866 24.329 ( 7.520 -0.115 -0.032) 7.520 24.345 ( 7.384 -0.479 -0.941) 7.459 24.633 ( -6.179 -0.081 -0.078) 6.180 24.636 ( -6.235 -0.177 -0.248) 6.243 31.425 ( 0.007 -0.564 -0.420) 0.704 31.436 ( -0.432 -0.524 -1.103) 1.295 31.460 ( 0.027 -0.830 -0.183) 0.851 31.469 ( -0.199 -1.124 -0.606) 1.292 41.195 ( 8.339 5.796 4.923) 11.286 41.404 ( 5.633 2.933 -4.613) 7.849 41.572 ( -5.426 7.889 2.748) 9.961 41.677 ( -3.439 -0.201 -0.225) 3.452 41.821 ( 10.632 0.630 8.759) 13.790 42.154 ( 17.608 0.304 -5.398) 18.419 42.593 ( -25.681 2.949 21.370) 33.539 43.149 ( -26.843 -7.301 -6.294) 28.521 ======================= Grid point 211 (70/120) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -2.606 0.716 2.840) 3.920 1.235 ( 2.606 0.716 2.840) 3.920 1.359 ( -6.605 4.850 -1.407) 8.314 1.359 ( 6.605 4.850 -1.407) 8.314 1.403 ( -2.971 -0.182 -1.110) 3.177 1.403 ( 2.971 -0.182 -1.110) 3.177 1.587 ( -4.503 4.967 -2.050) 7.011 1.587 ( 4.504 4.967 -2.050) 7.011 2.388 ( -10.067 3.038 4.240) 11.338 2.388 ( 10.067 3.038 4.240) 11.338 2.676 ( -2.544 17.762 -4.008) 18.385 2.676 ( 2.544 17.762 -4.008) 18.385 2.755 ( -5.319 1.960 -3.494) 6.659 2.755 ( 5.319 1.960 -3.494) 6.659 3.285 ( -6.929 6.459 9.226) 13.223 3.285 ( 6.929 6.459 9.226) 13.223 3.975 ( -6.828 3.207 21.927) 23.188 3.975 ( 6.828 3.207 21.927) 23.188 4.290 ( -4.472 -1.602 8.145) 9.429 4.290 ( 4.472 -1.602 8.145) 9.429 4.502 ( -4.917 6.822 2.949) 8.912 4.502 ( 4.917 6.822 2.949) 8.912 4.718 ( -3.700 7.353 -9.596) 12.643 4.718 ( 3.700 7.353 -9.596) 12.643 4.985 ( -2.184 -4.362 -4.720) 6.788 4.985 ( 2.184 -4.362 -4.720) 6.788 5.617 ( -8.341 -4.063 5.296) 10.683 5.617 ( 8.341 -4.063 5.296) 10.683 5.834 ( -7.847 -4.959 -2.335) 9.572 5.834 ( 7.847 -4.959 -2.335) 9.572 5.887 ( -7.441 -2.853 -2.958) 8.501 5.887 ( 7.441 -2.853 -2.958) 8.501 6.918 ( -2.328 -2.094 -2.856) 4.238 6.918 ( 2.328 -2.094 -2.856) 4.238 7.112 ( -2.665 -1.549 -5.211) 6.054 7.112 ( 2.666 -1.549 -5.211) 6.054 19.432 ( -1.574 0.671 1.176) 2.076 19.432 ( 1.574 0.671 1.176) 2.076 19.480 ( -1.030 0.913 -0.445) 1.447 19.480 ( 1.030 0.913 -0.445) 1.447 19.616 ( -1.878 1.850 2.226) 3.450 19.616 ( 1.878 1.850 2.226) 3.450 19.909 ( -2.326 1.656 -3.707) 4.679 19.909 ( 2.326 1.656 -3.707) 4.679 24.479 ( -2.774 -0.101 -0.389) 2.803 24.479 ( 2.774 -0.101 -0.389) 2.803 24.506 ( -2.374 -0.291 -0.233) 2.403 24.506 ( 2.374 -0.291 -0.233) 2.403 31.428 ( -0.286 -0.453 -0.887) 1.036 31.428 ( 0.286 -0.453 -0.887) 1.036 31.464 ( -0.273 -1.086 -0.422) 1.197 31.464 ( 0.273 -1.086 -0.422) 1.197 41.371 ( -8.112 6.514 3.442) 10.958 41.371 ( 8.112 6.514 3.442) 10.958 41.573 ( -5.619 3.695 -2.857) 7.307 41.573 ( 5.619 3.695 -2.857) 7.307 42.127 ( -18.298 1.456 15.365) 23.938 42.127 ( 18.298 1.456 15.365) 23.938 42.611 ( -24.402 -5.084 -5.979) 25.633 42.611 ( 24.402 -5.084 -5.979) 25.633 ======================= Grid point 216 (71/120) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.000 9.941 11.581) 15.263 1.042 ( 0.000 5.993 3.791) 7.092 1.281 ( 0.000 6.823 -5.366) 8.680 1.368 ( 0.000 5.092 -10.950) 12.076 1.732 ( 0.000 4.249 1.499) 4.506 1.768 ( 0.000 0.074 -1.673) 1.675 1.882 ( 0.000 -0.294 9.906) 9.911 1.995 ( 0.000 7.043 -0.175) 7.045 2.136 ( 0.000 25.869 14.757) 29.782 2.354 ( 0.000 -6.043 13.440) 14.736 2.794 ( 0.000 13.847 2.651) 14.098 2.807 ( 0.000 5.829 11.057) 12.499 2.833 ( 0.000 -7.941 -9.794) 12.609 3.004 ( 0.000 5.022 -16.170) 16.931 3.255 ( 0.000 1.331 7.137) 7.260 3.563 ( 0.000 3.177 -0.499) 3.216 3.694 ( 0.000 6.813 1.836) 7.056 3.706 ( 0.000 4.395 -7.173) 8.412 3.959 ( 0.000 2.476 -7.111) 7.529 4.123 ( 0.000 11.986 16.493) 20.388 4.287 ( 0.000 3.887 -21.063) 21.418 4.608 ( 0.000 7.368 20.705) 21.976 4.786 ( 0.000 3.942 -10.686) 11.390 4.886 ( 0.000 -1.503 7.566) 7.714 4.926 ( 0.000 7.276 7.502) 10.451 5.018 ( 0.000 7.667 -0.257) 7.672 5.149 ( 0.000 11.841 3.530) 12.357 5.243 ( 0.000 -0.113 -6.614) 6.615 5.645 ( 0.000 -8.349 9.693) 12.794 6.081 ( 0.000 -10.114 -11.442) 15.271 6.135 ( 0.000 -5.287 10.239) 11.524 6.423 ( 0.000 -9.286 -3.292) 9.852 6.910 ( 0.000 -6.498 -2.266) 6.882 6.980 ( 0.000 -6.754 -6.676) 9.496 7.197 ( 0.000 -3.675 0.157) 3.679 7.358 ( 0.000 -2.307 -7.208) 7.568 19.461 ( 0.000 -0.279 1.153) 1.186 19.473 ( 0.000 2.283 3.912) 4.530 19.545 ( 0.000 -1.850 -2.312) 2.961 19.563 ( 0.000 6.393 1.071) 6.482 19.572 ( 0.000 7.816 -0.617) 7.841 19.732 ( 0.000 -0.967 -7.245) 7.309 19.878 ( 0.000 2.132 5.522) 5.920 20.044 ( 0.000 -1.248 -2.010) 2.366 24.031 ( 0.000 -0.119 0.255) 0.281 24.043 ( 0.000 -0.250 -0.274) 0.371 24.829 ( 0.000 -0.105 0.319) 0.335 24.844 ( 0.000 -0.279 -0.374) 0.467 31.395 ( 0.000 -1.435 0.820) 1.653 31.435 ( 0.000 -1.370 -1.021) 1.708 31.453 ( 0.000 -0.814 0.993) 1.284 31.491 ( 0.000 -1.242 -0.782) 1.467 40.961 ( 0.000 3.876 5.308) 6.573 41.179 ( 0.000 1.010 -4.456) 4.569 41.377 ( 0.000 0.733 1.395) 1.575 41.387 ( 0.000 -2.356 0.782) 2.482 41.961 ( 0.000 -1.967 6.134) 6.442 42.207 ( 0.000 12.600 -5.811) 13.876 43.920 ( 0.000 -15.547 6.095) 16.699 44.205 ( 0.000 -5.134 -8.061) 9.557 ======================= Grid point 217 (72/120) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 3.756 8.991 9.123) 13.349 1.077 ( 3.382 5.606 3.496) 7.422 1.308 ( 2.514 7.553 -5.322) 9.575 1.340 ( -2.426 4.988 -9.621) 11.106 1.700 ( -2.247 1.916 1.057) 3.136 1.750 ( -1.896 2.062 -1.724) 3.289 1.870 ( -1.409 0.108 5.816) 5.985 1.903 ( -7.535 4.330 1.858) 8.888 2.140 ( 0.911 23.238 15.800) 28.115 2.403 ( 3.759 -3.784 11.429) 12.612 2.775 ( -0.829 6.187 1.636) 6.454 2.831 ( 1.261 7.262 -2.774) 7.876 2.872 ( 3.512 0.983 4.157) 5.530 2.993 ( -0.740 6.095 -14.106) 15.384 3.401 ( 11.330 -0.788 7.354) 13.530 3.525 ( -3.497 9.939 4.370) 11.407 3.726 ( 6.376 -0.029 -2.093) 6.711 3.790 ( 5.021 4.895 -3.701) 7.929 3.995 ( 0.506 5.410 -6.032) 8.119 4.103 ( 2.369 8.489 9.232) 12.763 4.363 ( 4.902 2.793 -12.160) 13.405 4.583 ( -1.623 7.924 16.176) 18.086 4.804 ( 1.350 2.708 -8.756) 9.264 4.903 ( -1.853 9.116 6.440) 11.314 4.926 ( 3.340 -0.763 6.214) 7.096 5.045 ( 1.190 7.808 2.823) 8.388 5.152 ( 1.585 6.466 1.885) 6.919 5.257 ( 1.543 1.974 -5.467) 6.014 5.624 ( -1.939 -8.985 8.616) 12.599 6.035 ( -4.187 -9.321 -10.000) 14.297 6.101 ( -3.500 -5.619 8.052) 10.424 6.360 ( -5.655 -9.311 -3.306) 11.384 6.895 ( -1.395 -5.709 -3.222) 6.702 6.943 ( -2.876 -4.991 -6.060) 8.361 7.210 ( 0.645 -3.648 -0.629) 3.758 7.322 ( -3.374 -1.941 -5.907) 7.074 19.460 ( -0.296 0.107 1.471) 1.505 19.467 ( -0.465 1.006 2.682) 2.902 19.535 ( -0.944 5.018 0.359) 5.118 19.551 ( -0.090 0.810 -1.590) 1.786 19.593 ( 0.991 6.825 0.015) 6.897 19.725 ( -0.670 -0.778 -5.824) 5.914 19.879 ( 0.211 2.717 4.485) 5.248 20.035 ( -0.787 -0.807 -2.082) 2.367 24.073 ( 3.882 -0.304 0.036) 3.894 24.081 ( 3.637 -0.259 -0.269) 3.656 24.806 ( -2.220 -0.107 0.271) 2.239 24.819 ( -2.379 -0.254 -0.345) 2.417 31.397 ( 0.170 -1.430 0.749) 1.624 31.434 ( -0.126 -1.213 -0.873) 1.500 31.450 ( -0.223 -0.904 0.590) 1.102 31.480 ( -0.998 -1.114 -0.675) 1.641 41.010 ( 4.713 4.613 5.283) 8.450 41.227 ( 4.480 1.943 -4.504) 6.643 41.399 ( 2.682 -1.232 2.347) 3.771 41.447 ( 5.238 -1.740 0.119) 5.521 41.941 ( -1.881 -1.275 5.909) 6.331 42.172 ( -3.285 11.953 -5.292) 13.479 43.772 ( -14.349 -12.684 4.681) 19.716 43.955 ( -21.857 -2.354 -3.053) 22.194 ======================= Grid point 218 (73/120) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 5.660 6.846 5.676) 10.541 1.177 ( 6.024 4.983 2.299) 8.149 1.282 ( -2.709 3.773 -5.577) 7.258 1.371 ( 3.019 7.891 -4.765) 9.700 1.662 ( -1.806 3.679 -0.186) 4.102 1.686 ( -4.233 2.848 -0.361) 5.115 1.736 ( -7.461 1.063 1.728) 7.731 1.814 ( -3.842 1.006 -1.954) 4.427 2.199 ( 4.991 16.562 14.992) 22.891 2.482 ( 3.611 -2.528 9.118) 10.127 2.744 ( -2.677 4.973 -3.048) 6.418 2.837 ( -1.111 1.082 -6.183) 6.374 2.981 ( 6.823 8.647 7.323) 13.227 3.002 ( 2.405 14.424 -5.005) 15.456 3.425 ( -4.316 13.235 5.908) 15.123 3.619 ( 5.328 2.719 8.803) 10.643 3.833 ( 1.928 0.470 6.197) 6.507 3.947 ( 10.177 0.102 -3.043) 10.623 4.036 ( 6.232 6.398 1.087) 8.998 4.212 ( 6.179 3.296 4.103) 8.117 4.420 ( 0.208 0.747 0.963) 1.237 4.597 ( 3.644 9.281 -0.249) 9.973 4.810 ( -1.125 -1.055 -0.970) 1.822 4.867 ( -1.135 11.617 2.426) 11.921 4.994 ( 2.041 4.248 -1.062) 4.831 5.026 ( -2.034 3.023 4.878) 6.089 5.260 ( 7.876 3.842 2.529) 9.121 5.321 ( 5.154 -2.042 -2.604) 6.125 5.575 ( -2.344 -9.538 5.397) 11.207 5.924 ( -6.110 -8.312 -9.548) 14.057 5.991 ( -6.828 -5.588 4.982) 10.132 6.211 ( -8.474 -8.784 -3.913) 12.817 6.864 ( -1.258 -3.269 -4.314) 5.557 6.892 ( -1.444 -2.713 -4.953) 5.829 7.201 ( -2.027 -2.124 -2.009) 3.558 7.231 ( -4.951 -2.145 -3.584) 6.478 19.445 ( -0.934 0.531 1.589) 1.918 19.456 ( -0.698 -0.578 0.646) 1.113 19.522 ( -0.145 5.806 1.055) 5.903 19.551 ( -0.008 0.969 -1.435) 1.731 19.610 ( 0.757 5.445 0.540) 5.524 19.706 ( -1.102 0.095 -2.856) 3.063 19.892 ( 1.099 3.414 1.917) 4.067 20.014 ( -1.265 0.287 -2.168) 2.527 24.180 ( 6.314 -0.308 -0.066) 6.321 24.188 ( 6.467 -0.470 -0.446) 6.499 24.738 ( -4.318 -0.131 0.134) 4.322 24.747 ( -4.602 -0.199 -0.266) 4.614 31.402 ( 0.256 -1.372 0.529) 1.493 31.430 ( -0.283 -0.829 -0.622) 1.074 31.446 ( -0.164 -1.209 -0.211) 1.238 31.457 ( -1.045 -0.970 -0.490) 1.508 41.148 ( 8.339 6.556 4.915) 11.691 41.348 ( 6.513 3.950 -4.317) 8.755 41.497 ( 7.151 -2.128 4.201) 8.562 41.596 ( 8.655 -3.331 -0.551) 9.290 41.887 ( -3.216 1.764 5.278) 6.427 42.090 ( -3.600 8.493 -4.154) 10.117 43.308 ( -29.182 3.616 5.861) 29.984 43.467 ( -23.402 -10.070 -0.256) 25.478 ======================= Grid point 219 (74/120) ======================= q-point: ( 0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 6.838 4.631 3.540) 8.985 1.249 ( 0.068 2.178 -0.603) 2.261 1.312 ( 6.730 4.634 0.462) 8.184 1.392 ( -1.478 2.683 -0.547) 3.112 1.569 ( -6.691 3.394 -0.183) 7.505 1.591 ( -5.458 5.224 -1.738) 7.752 1.653 ( -0.191 5.531 -0.863) 5.601 1.745 ( -2.337 1.017 -6.843) 7.302 2.332 ( 7.295 10.786 9.499) 16.118 2.542 ( 1.299 -2.352 5.365) 6.000 2.674 ( -2.745 5.161 -2.028) 6.188 2.785 ( -3.653 -1.765 -3.816) 5.570 3.079 ( 4.940 22.011 -1.278) 22.594 3.148 ( 7.849 15.079 3.235) 17.304 3.341 ( -3.000 13.323 11.183) 17.651 3.584 ( -6.806 6.958 8.467) 12.901 3.922 ( 6.076 2.080 12.050) 13.654 4.079 ( 1.624 -0.886 5.601) 5.899 4.178 ( 5.661 4.007 8.546) 11.006 4.338 ( 2.402 -2.744 5.546) 6.638 4.431 ( 4.824 3.976 0.536) 6.274 4.671 ( 0.803 3.603 -5.092) 6.289 4.804 ( 1.977 1.153 -2.461) 3.361 4.854 ( 0.660 10.237 2.302) 10.514 4.982 ( -1.843 2.280 -0.638) 3.001 4.998 ( -1.935 6.199 -2.695) 7.031 5.404 ( 5.448 -1.000 3.686) 6.654 5.472 ( 6.182 -12.373 1.723) 13.938 5.564 ( 3.861 -4.117 0.323) 5.653 5.806 ( -4.567 -6.990 -9.413) 12.583 5.843 ( -6.827 -5.283 0.705) 8.661 6.016 ( -10.362 -7.316 -4.540) 13.472 6.856 ( 0.721 -0.579 -3.319) 3.446 6.892 ( 0.917 -1.659 -4.013) 4.438 7.114 ( -4.509 -0.529 -2.804) 5.336 7.150 ( -3.756 -2.487 -3.464) 5.683 19.429 ( -0.507 -0.074 0.674) 0.846 19.439 ( -0.864 -0.507 0.091) 1.006 19.527 ( 0.475 4.642 0.806) 4.735 19.548 ( -0.337 2.571 -0.731) 2.694 19.628 ( 1.092 3.741 0.948) 4.011 19.681 ( -1.265 1.299 -0.712) 1.948 19.921 ( 1.565 3.393 -0.245) 3.745 19.985 ( -1.463 1.590 -2.041) 2.972 24.326 ( 7.590 -0.204 -0.046) 7.593 24.335 ( 7.519 -0.498 -0.500) 7.552 24.630 ( -6.093 -0.204 -0.066) 6.097 24.632 ( -6.428 -0.170 -0.161) 6.432 31.407 ( 0.296 -1.172 0.170) 1.221 31.423 ( -0.401 -0.721 -0.551) 0.992 31.442 ( -0.355 -1.200 -0.451) 1.330 31.443 ( -0.173 -1.200 -0.561) 1.335 41.337 ( 9.456 8.053 3.387) 12.874 41.471 ( 5.110 3.800 -2.835) 6.971 41.651 ( 3.398 -1.053 4.445) 5.694 41.753 ( 2.658 6.919 -0.586) 7.435 41.832 ( 3.943 1.464 7.674) 8.751 42.129 ( 10.199 -2.642 -3.953) 11.253 42.701 ( -27.921 7.430 7.928) 29.961 42.971 ( -24.361 -9.906 -3.403) 26.517 ======================= Grid point 220 (75/120) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -1.886 1.896 3.073) 4.073 1.260 ( 1.886 1.896 3.073) 4.073 1.418 ( -6.348 1.807 1.071) 6.686 1.418 ( 6.348 1.807 1.071) 6.686 1.458 ( -6.588 4.891 -2.432) 8.558 1.458 ( 6.588 4.891 -2.432) 8.558 1.696 ( -2.826 5.552 -5.452) 8.279 1.696 ( 2.826 5.552 -5.452) 8.279 2.478 ( -6.300 5.302 3.614) 8.992 2.478 ( 6.300 5.302 3.614) 8.992 2.700 ( -3.999 -0.423 0.210) 4.027 2.700 ( 3.999 -0.423 0.210) 4.027 3.181 ( -4.132 24.504 -2.665) 24.993 3.181 ( 4.132 24.504 -2.665) 24.993 3.410 ( -8.738 6.681 14.440) 18.152 3.410 ( 8.738 6.681 14.440) 18.152 4.037 ( -4.509 1.751 11.500) 12.476 4.037 ( 4.509 1.751 11.500) 12.476 4.285 ( -4.645 1.685 9.587) 10.786 4.285 ( 4.645 1.685 9.587) 10.786 4.591 ( -7.130 -1.060 -3.098) 7.846 4.591 ( 7.130 -1.060 -3.098) 7.846 4.875 ( -1.782 7.720 -0.511) 7.939 4.875 ( 1.782 7.720 -0.511) 7.939 4.951 ( -0.687 3.681 -4.143) 5.585 4.951 ( 0.687 3.681 -4.143) 5.585 5.487 ( -2.362 -9.199 3.892) 10.264 5.487 ( 2.362 -9.199 3.892) 10.264 5.723 ( -5.851 -5.849 -3.656) 9.045 5.723 ( 5.851 -5.849 -3.656) 9.045 5.809 ( -7.458 -4.666 -5.300) 10.271 5.809 ( 7.458 -4.666 -5.300) 10.271 6.889 ( -1.708 -0.371 -2.460) 3.018 6.889 ( 1.708 -0.371 -2.460) 3.018 7.081 ( -1.840 -1.361 -4.100) 4.695 7.081 ( 1.840 -1.361 -4.100) 4.695 19.426 ( -0.284 -0.429 0.130) 0.531 19.426 ( 0.284 -0.429 0.130) 0.531 19.538 ( -0.550 3.721 0.130) 3.764 19.538 ( 0.550 3.721 0.130) 3.764 19.654 ( -1.335 2.423 0.493) 2.810 19.654 ( 1.335 2.423 0.493) 2.810 19.954 ( -1.581 2.718 -1.483) 3.476 19.954 ( 1.581 2.718 -1.483) 3.476 24.476 ( -1.681 -0.116 -0.326) 1.716 24.476 ( 1.681 -0.116 -0.326) 1.716 24.499 ( -1.398 -0.394 -0.068) 1.454 24.499 ( 1.398 -0.394 -0.068) 1.454 31.414 ( -0.397 -0.901 -0.227) 1.011 31.414 ( 0.397 -0.901 -0.227) 1.011 31.440 ( -0.106 -1.245 -0.589) 1.382 31.440 ( 0.106 -1.245 -0.589) 1.382 41.502 ( -4.576 5.333 -0.307) 7.034 41.502 ( 4.576 5.333 -0.307) 7.034 41.670 ( -3.312 6.509 3.476) 8.089 41.670 ( 3.312 6.509 3.476) 8.089 42.163 ( -20.994 1.693 8.929) 22.877 42.163 ( 20.994 1.693 8.929) 22.877 42.494 ( -20.356 -5.839 -5.757) 21.945 42.494 ( 20.356 -5.839 -5.757) 21.945 ======================= Grid point 225 (76/120) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 0.000 11.759 8.502) 14.511 1.146 ( 0.000 5.055 -0.926) 5.139 1.368 ( 0.000 2.233 -9.074) 9.344 1.484 ( 0.000 6.337 -8.567) 10.656 1.788 ( 0.000 2.128 -0.311) 2.150 1.807 ( 0.000 3.384 -0.691) 3.454 1.891 ( 0.000 1.361 8.764) 8.869 2.086 ( 0.000 1.943 -0.196) 1.953 2.225 ( 0.000 -6.837 10.795) 12.778 2.611 ( 0.000 -12.404 -7.640) 14.568 2.638 ( 0.000 24.218 8.342) 25.614 2.977 ( 0.000 11.902 11.597) 16.618 3.005 ( 0.000 6.749 -6.235) 9.188 3.206 ( 0.000 12.437 -2.763) 12.740 3.312 ( 0.000 6.275 7.142) 9.507 3.535 ( 0.000 -3.565 -1.433) 3.843 3.798 ( 0.000 3.280 -1.889) 3.785 3.860 ( 0.000 7.885 -3.763) 8.737 3.988 ( 0.000 1.083 -3.439) 3.606 4.267 ( 0.000 2.526 16.500) 16.692 4.329 ( 0.000 0.215 -16.626) 16.628 4.659 ( 0.000 -2.291 11.188) 11.420 4.707 ( 0.000 -10.466 -1.670) 10.599 4.923 ( 0.000 6.695 10.840) 12.741 4.953 ( 0.000 -10.463 -2.921) 10.863 5.111 ( 0.000 6.894 3.988) 7.965 5.322 ( 0.000 5.533 6.461) 8.506 5.349 ( 0.000 7.934 1.521) 8.079 5.563 ( 0.000 1.009 2.562) 2.754 5.879 ( 0.000 -9.748 -11.068) 14.749 6.008 ( 0.000 -6.997 11.164) 13.176 6.246 ( 0.000 -8.561 -0.752) 8.594 6.871 ( 0.000 2.431 -6.171) 6.633 6.945 ( 0.000 2.153 -10.361) 10.583 7.147 ( 0.000 -1.268 -0.641) 1.421 7.312 ( 0.000 -2.544 -7.888) 8.289 19.454 ( 0.000 -0.035 -0.676) 0.677 19.501 ( 0.000 1.429 1.879) 2.361 19.510 ( 0.000 -1.605 -2.836) 3.259 19.656 ( 0.000 -0.640 -3.961) 4.013 19.721 ( 0.000 8.180 2.277) 8.491 19.771 ( 0.000 6.079 -1.589) 6.284 19.923 ( 0.000 2.285 4.675) 5.204 20.027 ( 0.000 -0.672 -0.265) 0.722 24.029 ( 0.000 -0.096 0.190) 0.213 24.037 ( 0.000 -0.280 -0.196) 0.342 24.827 ( 0.000 -0.084 0.223) 0.239 24.838 ( 0.000 -0.326 -0.281) 0.431 31.370 ( 0.000 -1.094 0.909) 1.422 31.407 ( 0.000 -1.538 -0.772) 1.721 31.437 ( 0.000 -0.731 0.734) 1.036 31.465 ( 0.000 -1.340 -0.571) 1.456 41.039 ( 0.000 3.900 4.265) 5.780 41.187 ( 0.000 -0.218 -2.326) 2.336 41.358 ( 0.000 -0.634 1.875) 1.979 41.405 ( 0.000 1.708 1.252) 2.118 41.901 ( 0.000 -3.044 5.464) 6.255 42.346 ( 0.000 0.170 -14.772) 14.773 43.700 ( 0.000 -5.127 12.880) 13.863 44.115 ( 0.000 -4.539 -7.771) 9.000 ======================= Grid point 226 (77/120) ======================= q-point: ( 0.12 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 1.181 8.994 6.185) 10.979 1.182 ( 3.359 6.135 -0.040) 6.995 1.404 ( 3.228 1.918 -9.562) 10.273 1.443 ( -3.681 5.047 -7.139) 9.486 1.753 ( -1.957 4.422 0.502) 4.862 1.803 ( -1.528 2.981 -1.421) 3.639 1.882 ( -1.131 1.483 7.026) 7.269 1.964 ( -7.878 1.859 3.078) 8.660 2.307 ( 4.851 -6.038 7.179) 10.560 2.504 ( -5.001 4.011 0.166) 6.413 2.727 ( 3.775 6.977 1.197) 8.022 2.979 ( -2.618 6.310 -6.446) 9.393 3.039 ( 5.614 12.206 11.584) 17.739 3.239 ( 3.101 14.576 -0.669) 14.917 3.416 ( 8.975 3.305 6.507) 11.568 3.581 ( 3.902 -2.878 1.776) 5.163 3.803 ( 1.603 5.624 -1.692) 6.088 3.885 ( 1.845 4.679 -3.580) 6.173 4.059 ( 5.185 1.646 -5.359) 7.636 4.226 ( -0.929 3.690 7.011) 7.977 4.362 ( 1.086 -2.921 -1.673) 3.536 4.685 ( 3.204 0.036 4.191) 5.276 4.729 ( 1.352 -8.114 1.131) 8.303 4.928 ( 0.829 1.552 8.004) 8.195 4.998 ( 3.569 -8.866 -0.883) 9.598 5.096 ( -1.086 6.632 4.099) 7.872 5.217 ( -6.390 4.303 8.271) 11.303 5.415 ( 2.758 8.469 0.245) 8.910 5.540 ( -1.962 1.400 1.224) 2.703 5.847 ( -2.981 -9.153 -11.223) 14.786 5.977 ( -3.070 -6.536 9.448) 11.891 6.187 ( -5.316 -8.184 -0.985) 9.809 6.863 ( -0.683 2.367 -6.414) 6.871 6.927 ( -1.415 2.661 -9.380) 9.853 7.156 ( 0.598 -1.620 -0.864) 1.931 7.285 ( -2.587 -1.995 -6.634) 7.394 19.453 ( -0.148 -0.010 -0.668) 0.684 19.482 ( -1.155 0.668 0.105) 1.338 19.526 ( 0.914 -0.757 -1.183) 1.676 19.639 ( -1.320 0.618 -2.873) 3.222 19.728 ( 0.538 6.714 1.196) 6.841 19.763 ( -0.705 6.107 -0.825) 6.203 19.933 ( 0.893 2.600 3.895) 4.768 20.025 ( -0.193 -0.481 -0.238) 0.571 24.068 ( 3.710 -0.176 0.117) 3.716 24.075 ( 3.611 -0.280 -0.196) 3.627 24.804 ( -2.226 -0.085 0.193) 2.236 24.814 ( -2.330 -0.296 -0.261) 2.363 31.372 ( 0.193 -1.080 0.857) 1.392 31.408 ( 0.081 -1.471 -0.774) 1.664 31.434 ( -0.317 -0.731 0.572) 0.981 31.457 ( -0.776 -1.192 -0.485) 1.503 41.102 ( 6.035 4.514 4.480) 8.768 41.250 ( 6.075 0.295 -2.072) 6.425 41.379 ( 2.111 -0.632 2.393) 3.253 41.441 ( 3.465 0.819 0.351) 3.578 41.888 ( -1.224 -2.964 5.377) 6.260 42.308 ( -3.563 0.492 -13.836) 14.296 43.576 ( -11.692 -4.755 11.354) 16.977 43.924 ( -17.702 -1.976 -5.779) 18.726 ======================= Grid point 227 (78/120) ======================= q-point: ( 0.25 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 3.223 6.039 5.008) 8.482 1.275 ( 5.295 5.442 -1.416) 7.724 1.352 ( -4.167 2.957 -3.664) 6.288 1.480 ( 2.792 2.656 -8.281) 9.134 1.698 ( -3.938 0.938 2.009) 4.519 1.748 ( -4.358 2.781 -0.398) 5.185 1.806 ( -2.731 6.647 0.649) 7.215 1.859 ( -4.022 3.649 -0.346) 5.442 2.397 ( 4.068 -5.397 5.561) 8.752 2.452 ( 0.581 4.523 3.134) 5.534 2.775 ( 0.784 4.274 0.848) 4.427 2.899 ( -4.887 5.697 -5.193) 9.128 3.188 ( 8.196 12.207 12.622) 19.378 3.334 ( 5.970 16.080 1.679) 17.235 3.570 ( 3.291 2.574 8.092) 9.107 3.705 ( 8.655 1.803 6.217) 10.808 3.847 ( 0.548 6.832 -0.541) 6.875 3.942 ( 4.896 -1.382 -3.377) 6.106 4.147 ( 3.829 2.202 -6.142) 7.565 4.265 ( 2.972 2.780 11.739) 12.424 4.383 ( 2.017 -4.512 -3.086) 5.826 4.733 ( -1.698 -4.149 3.861) 5.916 4.784 ( 5.807 3.759 0.052) 6.917 4.931 ( -1.179 -4.004 8.016) 9.038 5.084 ( -0.851 -1.863 3.522) 4.075 5.088 ( -0.309 -4.609 10.396) 11.376 5.104 ( 3.037 4.090 -4.120) 6.552 5.452 ( 0.805 8.338 -1.677) 8.543 5.499 ( -1.413 1.587 -1.468) 2.583 5.768 ( -4.301 -7.258 -11.406) 14.187 5.881 ( -6.025 -5.398 4.916) 9.466 6.048 ( -7.856 -7.724 -1.869) 11.175 6.856 ( 0.380 2.416 -5.886) 6.374 6.900 ( -0.895 3.163 -6.867) 7.613 7.155 ( -1.057 -1.827 -1.455) 2.563 7.209 ( -4.518 -0.767 -4.150) 6.182 19.447 ( -0.444 0.187 -0.692) 0.843 19.458 ( -1.136 0.897 -0.222) 1.464 19.545 ( 0.877 -0.753 -1.195) 1.663 19.612 ( -1.206 1.235 -2.067) 2.693 19.737 ( 0.236 5.535 0.557) 5.568 19.746 ( -0.739 6.353 0.528) 6.418 19.956 ( 1.287 2.816 2.361) 3.894 20.019 ( -0.304 0.071 -0.179) 0.359 24.175 ( 6.374 -0.243 0.026) 6.379 24.180 ( 6.350 -0.312 -0.227) 6.362 24.736 ( -4.359 -0.104 0.109) 4.362 24.742 ( -4.539 -0.227 -0.206) 4.550 31.377 ( 0.335 -1.031 0.711) 1.296 31.410 ( 0.117 -1.255 -0.759) 1.471 31.425 ( -0.542 -0.829 0.231) 1.017 31.438 ( -0.861 -0.932 -0.352) 1.317 41.276 ( 10.148 6.200 4.603) 12.752 41.418 ( 7.888 2.717 -0.961) 8.399 41.463 ( 8.041 -1.291 3.145) 8.730 41.544 ( 6.520 -1.726 -0.792) 6.791 41.860 ( -0.980 -2.778 4.818) 5.647 42.206 ( -6.067 1.249 -11.337) 12.919 43.242 ( -19.862 -3.933 7.437) 21.570 43.443 ( -27.346 2.377 -2.153) 27.533 ======================= Grid point 228 (79/120) ======================= q-point: ( 0.38 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 3.381 3.498 3.736) 6.134 1.303 ( 2.024 3.002 0.995) 3.755 1.393 ( 3.766 3.988 -2.503) 6.029 1.452 ( -2.630 3.799 1.383) 4.823 1.616 ( -7.092 1.627 2.092) 7.572 1.672 ( -1.198 2.480 -4.901) 5.622 1.753 ( -3.111 1.386 -6.247) 7.115 1.803 ( -0.152 7.637 -5.970) 9.695 2.489 ( 4.715 -2.730 5.121) 7.477 2.513 ( 4.502 5.947 4.109) 8.516 2.756 ( -2.643 0.855 0.729) 2.872 2.792 ( -4.888 5.911 -1.444) 7.805 3.354 ( 7.441 9.628 13.059) 17.850 3.470 ( 6.358 14.332 7.003) 17.172 3.582 ( -0.686 9.728 5.808) 11.351 3.776 ( -4.158 13.606 2.782) 14.496 3.909 ( 7.722 -0.846 8.095) 11.220 4.057 ( 4.155 -1.394 -1.930) 4.789 4.232 ( 4.223 -4.464 -3.160) 6.910 4.300 ( 0.830 2.985 13.479) 13.830 4.433 ( 1.742 -4.485 -5.265) 7.132 4.636 ( -7.247 -3.877 5.817) 10.069 4.906 ( 4.336 2.403 6.672) 8.312 4.913 ( 1.438 -7.258 3.678) 8.263 5.026 ( -0.458 5.573 6.059) 8.245 5.124 ( 0.532 2.496 -0.197) 2.559 5.229 ( 6.458 -4.516 -7.859) 11.129 5.441 ( -2.350 3.855 -4.132) 6.121 5.508 ( 3.035 -0.969 -0.972) 3.331 5.696 ( -1.794 -4.246 -9.956) 10.971 5.748 ( -6.358 -4.469 0.275) 7.777 5.873 ( -8.691 -6.934 -3.573) 11.678 6.879 ( 1.519 2.739 -4.035) 5.108 6.902 ( 1.098 2.672 -3.927) 4.875 7.103 ( -3.795 -0.831 -2.371) 4.551 7.121 ( -3.310 -0.196 -2.657) 4.249 19.436 ( -0.500 0.690 -0.763) 1.144 19.438 ( -0.701 0.963 -0.477) 1.283 19.562 ( 0.790 -0.537 -1.397) 1.692 19.591 ( -0.779 0.801 -1.783) 2.105 19.736 ( -0.240 5.819 1.143) 5.935 19.738 ( -0.120 5.960 0.951) 6.037 19.982 ( 1.111 2.455 1.066) 2.897 20.012 ( -0.424 0.871 -0.061) 0.971 24.322 ( 7.664 -0.202 -0.013) 7.667 24.327 ( 7.593 -0.309 -0.240) 7.603 24.626 ( -6.213 -0.176 -0.007) 6.216 24.629 ( -6.390 -0.162 -0.134) 6.393 31.385 ( 0.455 -0.947 0.509) 1.167 31.409 ( -0.506 -0.662 -0.040) 0.834 31.415 ( -0.055 -1.299 -0.550) 1.412 31.425 ( -0.437 -0.862 -0.448) 1.065 41.458 ( 6.392 3.646 1.990) 7.623 41.564 ( 6.118 5.785 -1.886) 8.629 41.628 ( 5.371 -0.761 7.233) 9.041 41.773 ( 15.122 -2.282 4.295) 15.884 41.892 ( 5.009 1.100 0.749) 5.183 42.094 ( -1.884 -0.438 -7.934) 8.166 42.794 ( -22.684 -2.068 2.183) 22.882 42.859 ( -27.764 3.033 -0.350) 27.932 ======================= Grid point 229 (80/120) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -3.643 3.067 3.554) 5.942 1.309 ( 3.643 3.067 3.554) 5.942 1.454 ( -7.889 1.560 3.144) 8.634 1.454 ( 7.889 1.560 3.144) 8.634 1.555 ( -7.114 5.235 -4.631) 9.973 1.555 ( 7.114 5.235 -4.631) 9.973 1.780 ( -2.248 2.721 -8.670) 9.361 1.780 ( 2.248 2.721 -8.670) 9.361 2.568 ( -1.497 4.026 4.213) 6.016 2.568 ( 1.497 4.026 4.213) 6.016 2.717 ( -1.456 1.617 0.993) 2.392 2.717 ( 1.456 1.617 0.993) 2.392 3.481 ( -4.460 6.694 13.731) 15.913 3.481 ( 4.460 6.694 13.731) 15.913 3.656 ( -6.666 17.816 0.875) 19.042 3.656 ( 6.666 17.816 0.875) 19.042 4.048 ( -4.761 1.071 6.451) 8.089 4.048 ( 4.761 1.071 6.451) 8.089 4.303 ( -1.556 -2.702 2.842) 4.219 4.303 ( 1.556 -2.702 2.842) 4.219 4.488 ( -5.437 -5.822 2.309) 8.294 4.488 ( 5.437 -5.822 2.309) 8.294 4.942 ( -1.602 -5.632 8.892) 10.647 4.942 ( 1.602 -5.632 8.892) 10.647 5.082 ( -4.252 8.684 -3.715) 10.358 5.082 ( 4.252 8.684 -3.715) 10.358 5.354 ( -5.569 -0.553 -6.678) 8.713 5.354 ( 5.569 -0.553 -6.678) 8.713 5.619 ( -6.454 -4.992 -1.148) 8.239 5.619 ( 6.454 -4.992 -1.148) 8.239 5.723 ( -4.666 -3.991 -6.236) 8.752 5.723 ( 4.666 -3.991 -6.236) 8.752 6.911 ( -1.071 2.559 -2.321) 3.616 6.911 ( 1.071 2.559 -2.321) 3.616 7.067 ( -1.188 -0.112 -3.059) 3.284 7.067 ( 1.188 -0.112 -3.059) 3.284 19.431 ( -0.021 0.960 -0.696) 1.185 19.431 ( 0.021 0.960 -0.696) 1.185 19.577 ( -0.679 0.034 -1.611) 1.748 19.577 ( 0.679 0.034 -1.611) 1.748 19.735 ( -0.132 5.906 1.266) 6.042 19.735 ( 0.132 5.906 1.266) 6.042 20.001 ( -0.720 1.729 0.284) 1.894 20.001 ( 0.720 1.729 0.284) 1.894 24.475 ( -1.248 -0.026 -0.213) 1.267 24.475 ( 1.248 -0.026 -0.213) 1.267 24.491 ( -1.112 -0.380 0.003) 1.175 24.491 ( 1.112 -0.380 0.003) 1.176 31.396 ( -0.599 -0.837 0.307) 1.074 31.396 ( 0.599 -0.837 0.307) 1.074 31.418 ( -0.260 -1.009 -0.648) 1.227 31.418 ( 0.260 -1.009 -0.648) 1.227 41.560 ( -3.668 1.530 0.170) 3.978 41.560 ( 3.668 1.530 0.170) 3.978 41.790 ( -7.867 3.578 4.737) 9.856 41.790 ( 7.867 3.578 4.737) 9.856 42.174 ( -8.929 0.610 2.908) 9.410 42.174 ( 8.929 0.610 2.908) 9.410 42.430 ( -4.130 -0.848 -4.470) 6.145 42.430 ( 4.130 -0.848 -4.470) 6.145 ======================= Grid point 234 (81/120) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.000 4.491 -4.652) 6.467 1.324 ( 0.000 6.927 0.395) 6.939 1.392 ( 0.000 2.929 -3.610) 4.649 1.578 ( 0.000 2.131 -3.880) 4.427 1.834 ( 0.000 2.189 0.090) 2.191 1.857 ( 0.000 1.787 -0.661) 1.905 1.942 ( 0.000 3.930 4.781) 6.188 2.082 ( 0.000 -1.871 -0.589) 1.962 2.117 ( 0.000 -3.064 5.977) 6.717 2.366 ( 0.000 -12.368 -5.357) 13.478 3.034 ( 0.000 15.764 3.248) 16.095 3.120 ( 0.000 5.229 -0.875) 5.302 3.243 ( 0.000 13.788 10.396) 17.268 3.340 ( 0.000 4.395 1.960) 4.812 3.471 ( 0.000 -1.680 -0.557) 1.770 3.548 ( 0.000 13.412 0.599) 13.425 3.787 ( 0.000 -5.073 -2.007) 5.456 3.886 ( 0.000 -3.658 -3.913) 5.356 4.076 ( 0.000 5.959 1.489) 6.142 4.255 ( 0.000 -1.795 13.564) 13.682 4.293 ( 0.000 -4.157 -7.472) 8.551 4.432 ( 0.000 -14.346 4.400) 15.006 4.604 ( 0.000 -1.533 -2.327) 2.787 4.755 ( 0.000 -8.724 -7.285) 11.365 5.094 ( 0.000 9.451 12.584) 15.737 5.206 ( 0.000 3.178 7.423) 8.075 5.363 ( 0.000 -0.823 7.235) 7.282 5.418 ( 0.000 -0.920 3.610) 3.726 5.624 ( 0.000 2.625 -4.874) 5.535 5.731 ( 0.000 -5.280 -8.672) 10.153 5.926 ( 0.000 0.094 10.341) 10.341 6.100 ( 0.000 -6.507 0.984) 6.581 6.967 ( 0.000 6.081 -7.549) 9.694 7.013 ( 0.000 3.697 -9.336) 10.041 7.146 ( 0.000 0.940 -2.087) 2.289 7.255 ( 0.000 -3.423 -7.139) 7.917 19.459 ( 0.000 0.404 -1.684) 1.732 19.484 ( 0.000 -1.042 -2.739) 2.931 19.535 ( 0.000 2.043 -0.725) 2.168 19.621 ( 0.000 -2.212 -4.185) 4.734 19.857 ( 0.000 5.555 2.682) 6.169 19.881 ( 0.000 4.350 1.101) 4.488 19.961 ( 0.000 1.515 3.877) 4.163 20.011 ( 0.000 -1.087 1.347) 1.731 24.028 ( 0.000 -0.008 0.105) 0.105 24.032 ( 0.000 -0.228 -0.099) 0.248 24.826 ( 0.000 0.009 0.101) 0.102 24.832 ( 0.000 -0.278 -0.164) 0.323 31.356 ( 0.000 -0.273 0.731) 0.781 31.379 ( 0.000 -1.283 -0.297) 1.317 31.427 ( 0.000 -0.276 0.407) 0.492 31.442 ( 0.000 -1.013 -0.285) 1.052 41.105 ( 0.000 2.860 2.689) 3.925 41.174 ( 0.000 -0.997 -0.682) 1.208 41.362 ( 0.000 1.002 3.529) 3.669 41.421 ( 0.000 -0.440 4.081) 4.105 41.891 ( 0.000 2.850 -2.469) 3.770 42.225 ( 0.000 -10.549 -16.101) 19.249 43.726 ( 0.000 6.237 11.902) 13.437 44.014 ( 0.000 -6.141 -2.684) 6.702 ======================= Grid point 235 (82/120) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.729 4.587 -2.995) 5.526 1.334 ( 1.023 6.882 0.677) 6.991 1.403 ( 1.194 -0.259 -7.048) 7.153 1.512 ( -4.745 1.489 -3.685) 6.190 1.838 ( -2.818 2.574 1.153) 3.987 1.860 ( 0.027 2.596 0.919) 2.754 1.938 ( 0.050 4.802 4.742) 6.749 2.005 ( -2.972 3.562 0.707) 4.693 2.180 ( 3.374 -6.706 2.807) 8.014 2.355 ( -0.478 -11.201 -5.381) 12.436 3.014 ( -2.268 13.839 3.928) 14.563 3.093 ( -2.541 5.473 -1.133) 6.139 3.293 ( 4.782 11.933 8.314) 15.310 3.414 ( 5.382 5.064 2.989) 7.972 3.529 ( 6.736 -0.189 1.279) 6.859 3.592 ( 3.755 11.396 0.894) 12.032 3.794 ( 0.964 -5.663 -0.997) 5.830 3.924 ( 2.934 -3.328 -4.244) 6.139 4.110 ( 2.627 4.204 0.689) 5.005 4.244 ( 0.627 -1.802 8.908) 9.110 4.296 ( -0.313 -1.968 -0.245) 2.007 4.483 ( 4.432 -12.561 3.372) 13.741 4.654 ( 4.217 -2.664 -2.656) 5.651 4.769 ( 1.352 -8.715 -5.209) 10.243 5.078 ( -1.781 6.933 11.507) 13.552 5.194 ( -1.234 2.898 7.533) 8.165 5.258 ( -5.769 1.815 8.467) 10.405 5.490 ( 3.349 -1.278 0.123) 3.587 5.609 ( -1.357 2.777 -4.897) 5.791 5.708 ( -2.085 -4.428 -8.319) 9.652 5.898 ( -2.770 -0.319 8.231) 8.691 6.050 ( -4.649 -5.990 0.319) 7.589 6.953 ( -1.122 5.680 -7.124) 9.180 7.003 ( -0.969 3.936 -8.626) 9.531 7.147 ( -0.038 0.468 -1.882) 1.940 7.239 ( -1.614 -2.854 -6.121) 6.944 19.459 ( -0.001 0.534 -1.566) 1.655 19.485 ( 0.052 -0.488 -2.733) 2.777 19.532 ( -0.224 1.466 -0.744) 1.660 19.613 ( -0.691 -2.103 -3.989) 4.562 19.855 ( -0.179 5.606 2.497) 6.139 19.877 ( -0.309 4.725 1.488) 4.963 19.971 ( 0.847 1.197 3.201) 3.521 20.010 ( -0.100 -1.182 1.348) 1.795 24.066 ( 3.639 -0.034 0.081) 3.640 24.070 ( 3.611 -0.225 -0.104) 3.619 24.803 ( -2.231 0.005 0.088) 2.233 24.808 ( -2.280 -0.254 -0.154) 2.300 31.358 ( 0.219 -0.263 0.693) 0.773 31.381 ( 0.174 -1.246 -0.316) 1.298 31.424 ( -0.328 -0.293 0.338) 0.555 31.436 ( -0.553 -0.894 -0.235) 1.077 41.176 ( 6.838 3.036 3.180) 8.130 41.243 ( 6.627 -0.859 -0.159) 6.684 41.382 ( 1.884 0.987 3.480) 4.079 41.449 ( 2.624 -0.715 3.304) 4.279 41.876 ( -1.331 2.727 -2.399) 3.868 42.198 ( -2.623 -9.977 -15.419) 18.552 43.602 ( -11.740 5.947 10.970) 17.133 43.860 ( -14.472 -4.741 -2.122) 15.376 ======================= Grid point 236 (83/120) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 1.332 3.966 1.480) 4.438 1.363 ( -1.307 0.672 -2.474) 2.878 1.397 ( 1.563 3.967 -3.818) 5.723 1.497 ( 3.529 -0.183 -9.154) 9.813 1.725 ( -7.077 1.909 5.728) 9.302 1.783 ( -6.136 0.517 2.971) 6.837 1.926 ( -2.670 5.559 0.117) 6.168 1.980 ( -1.409 7.552 -4.912) 9.118 2.277 ( 6.713 -5.923 3.843) 9.742 2.389 ( 4.607 -7.224 -3.006) 9.080 2.942 ( -4.580 8.871 4.170) 10.820 3.015 ( -4.940 5.311 -0.471) 7.269 3.416 ( 6.237 10.115 6.950) 13.766 3.526 ( 5.304 5.454 6.865) 10.248 3.678 ( 5.619 7.253 0.683) 9.201 3.743 ( 11.192 4.702 3.592) 12.660 3.834 ( 3.279 -8.812 -0.131) 9.404 3.982 ( 2.331 0.513 -2.964) 3.805 4.160 ( 2.029 2.087 -1.575) 3.309 4.286 ( 1.623 -1.757 -1.000) 2.592 4.298 ( 1.692 -1.404 12.107) 12.305 4.565 ( 2.064 -10.269 1.813) 10.630 4.753 ( 4.409 -4.835 0.559) 6.567 4.791 ( -0.658 -7.157 3.596) 8.037 5.040 ( 0.049 2.432 5.881) 6.365 5.122 ( -2.644 0.096 7.353) 7.814 5.228 ( 1.408 7.806 3.741) 8.769 5.526 ( -0.243 0.140 -6.697) 6.702 5.579 ( -1.122 1.382 -2.957) 3.452 5.658 ( -2.406 -2.251 -6.909) 7.655 5.811 ( -5.497 -0.882 3.409) 6.528 5.922 ( -7.382 -5.162 -1.237) 9.093 6.936 ( -0.200 4.897 -5.666) 7.491 6.980 ( -1.004 3.943 -6.611) 7.763 7.135 ( -1.291 -0.239 -1.676) 2.129 7.189 ( -3.158 -1.532 -4.077) 5.380 19.458 ( -0.035 0.967 -1.360) 1.669 19.483 ( -0.350 1.199 -2.451) 2.751 19.530 ( 0.164 -0.325 -1.050) 1.111 19.595 ( -0.999 -1.946 -3.521) 4.145 19.851 ( -0.135 5.685 2.261) 6.120 19.871 ( -0.244 5.584 1.645) 5.827 19.989 ( 0.804 0.353 2.243) 2.409 20.009 ( 0.026 -1.268 1.292) 1.810 24.172 ( 6.365 -0.064 0.040) 6.366 24.175 ( 6.342 -0.220 -0.119) 6.347 24.734 ( -4.391 -0.014 0.050) 4.391 24.738 ( -4.473 -0.195 -0.127) 4.479 31.365 ( 0.385 -0.235 0.590) 0.743 31.385 ( 0.295 -1.143 -0.358) 1.233 31.414 ( -0.596 -0.318 0.211) 0.708 31.422 ( -0.690 -0.691 -0.162) 0.990 41.377 ( 11.541 4.040 4.775) 13.127 41.438 ( 7.187 0.190 3.252) 7.891 41.447 ( 9.898 -0.575 1.987) 10.111 41.525 ( 4.638 -1.218 1.003) 4.899 41.843 ( -1.386 2.327 -2.550) 3.720 42.124 ( -4.193 -8.194 -13.752) 16.548 43.264 ( -20.323 5.038 8.446) 22.578 43.451 ( -24.170 -1.785 -1.116) 24.262 ======================= Grid point 237 (84/120) ======================= q-point: ( 0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 1.963 2.282 2.593) 3.973 1.343 ( 3.007 0.985 2.101) 3.798 1.472 ( 0.224 4.109 -3.137) 5.174 1.532 ( 0.644 3.801 -2.553) 4.624 1.624 ( -5.770 -0.846 4.439) 7.329 1.673 ( 1.966 -1.292 -5.285) 5.785 1.818 ( -6.982 4.693 -5.281) 9.933 1.915 ( -4.811 2.847 -7.979) 9.743 2.451 ( 9.587 -0.442 4.848) 10.752 2.535 ( 8.644 -2.280 0.462) 8.951 2.825 ( -6.808 5.033 4.142) 9.425 2.891 ( -7.019 3.263 1.371) 7.861 3.531 ( 4.714 8.281 7.255) 11.977 3.604 ( 1.881 5.912 9.843) 11.635 3.797 ( 5.396 6.269 -2.279) 8.580 3.904 ( 3.724 -4.125 3.330) 6.479 3.989 ( 10.106 0.378 -1.216) 10.186 4.021 ( 2.831 7.888 6.287) 10.477 4.204 ( 2.404 3.543 -3.882) 5.779 4.265 ( -2.891 -4.802 5.396) 7.780 4.353 ( 1.464 -3.077 7.306) 8.061 4.540 ( -4.355 -6.377 4.762) 9.073 4.712 ( -4.032 -8.785 7.172) 12.036 4.786 ( -1.656 -9.886 6.691) 12.052 5.135 ( 7.175 1.880 1.903) 7.657 5.171 ( 6.356 5.071 -0.498) 8.146 5.278 ( 3.642 4.439 -1.229) 5.872 5.492 ( -2.178 2.213 -9.936) 10.410 5.554 ( -2.025 0.690 -1.794) 2.792 5.618 ( -1.593 -1.795 -3.326) 4.102 5.688 ( -5.689 -1.597 -2.762) 6.523 5.761 ( -7.567 -4.455 -3.627) 9.500 6.948 ( 1.226 3.921 -3.751) 5.563 6.972 ( 0.440 3.734 -3.967) 5.465 7.091 ( -2.679 -0.335 -1.877) 3.289 7.119 ( -3.255 -0.485 -2.700) 4.257 19.458 ( 0.057 1.629 -1.321) 2.098 19.472 ( -0.594 2.249 -1.905) 3.007 19.539 ( 0.658 -1.611 -1.673) 2.414 19.574 ( -0.981 -1.943 -2.929) 3.650 19.851 ( 0.178 5.949 2.037) 6.291 19.865 ( -0.352 6.119 1.590) 6.332 20.002 ( 0.473 -0.645 1.615) 1.802 20.010 ( 0.077 -1.075 1.179) 1.598 24.319 ( 7.690 -0.065 0.007) 7.691 24.322 ( 7.648 -0.192 -0.122) 7.651 24.624 ( -6.286 -0.057 0.002) 6.286 24.626 ( -6.353 -0.141 -0.095) 6.355 31.374 ( 0.509 -0.207 0.453) 0.712 31.392 ( 0.347 -0.993 -0.377) 1.117 31.400 ( -0.715 -0.264 0.212) 0.792 31.410 ( -0.512 -0.685 -0.224) 0.884 41.508 ( 4.271 2.387 2.448) 5.471 41.617 ( 2.685 0.368 -0.817) 2.831 41.638 ( 8.272 -0.662 7.942) 11.487 41.723 ( 11.209 -2.077 4.816) 12.376 41.901 ( 11.465 2.077 -3.385) 12.133 42.065 ( 1.437 -3.243 -11.750) 12.274 42.799 ( -23.788 3.335 4.780) 24.491 42.910 ( -27.153 0.539 -0.983) 27.176 ======================= Grid point 238 (85/120) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -4.741 3.500 3.760) 6.990 1.374 ( 4.741 3.500 3.760) 6.990 1.467 ( -7.350 -0.484 4.066) 8.414 1.467 ( 7.350 -0.484 4.066) 8.414 1.657 ( -7.383 5.068 -6.673) 11.168 1.657 ( 7.383 5.068 -6.673) 11.168 1.795 ( -6.309 -1.080 -9.491) 11.448 1.795 ( 6.309 -1.080 -9.491) 11.448 2.643 ( -7.263 3.729 4.571) 9.357 2.643 ( 7.263 3.729 4.571) 9.357 2.734 ( -6.779 -0.244 2.109) 7.104 2.734 ( 6.779 -0.244 2.109) 7.104 3.602 ( -1.977 7.010 8.922) 11.518 3.602 ( 1.977 7.010 8.922) 11.518 3.890 ( -3.520 2.499 -2.776) 5.133 3.890 ( 3.520 2.499 -2.776) 5.133 4.124 ( -2.909 5.454 6.004) 8.617 4.124 ( 2.909 5.454 6.004) 8.617 4.204 ( -2.731 -1.069 3.971) 4.937 4.204 ( 2.731 -1.069 3.971) 4.937 4.409 ( -6.188 -3.203 6.477) 9.513 4.409 ( 6.188 -3.203 6.477) 9.513 4.719 ( -3.569 -13.580 4.369) 14.705 4.719 ( 3.569 -13.580 4.369) 14.705 5.240 ( -1.398 7.071 1.633) 7.391 5.240 ( 1.398 7.071 1.633) 7.391 5.407 ( -7.294 1.379 -6.680) 9.986 5.407 ( 7.294 1.379 -6.680) 9.986 5.547 ( -3.728 -0.893 -1.879) 4.269 5.547 ( 3.728 -0.893 -1.879) 4.269 5.654 ( -2.368 -3.279 -6.234) 7.431 5.654 ( 2.368 -3.279 -6.234) 7.431 6.976 ( -0.989 3.751 -2.334) 4.527 6.976 ( 0.989 3.751 -2.334) 4.527 7.066 ( -1.225 -0.387 -2.628) 2.925 7.066 ( 1.225 -0.387 -2.628) 2.925 19.462 ( -0.356 2.191 -1.518) 2.689 19.462 ( 0.356 2.191 -1.518) 2.689 19.555 ( -0.871 -1.949 -2.293) 3.134 19.555 ( 0.871 -1.949 -2.293) 3.134 19.857 ( -0.389 6.177 1.754) 6.433 19.857 ( 0.389 6.177 1.754) 6.433 20.009 ( -0.203 -1.005 1.255) 1.621 20.009 ( 0.203 -1.005 1.255) 1.621 24.476 ( -1.628 0.109 -0.110) 1.636 24.476 ( 1.628 0.109 -0.110) 1.636 24.484 ( -1.588 -0.326 -0.004) 1.621 24.484 ( 1.588 -0.326 -0.004) 1.621 31.386 ( -0.628 -0.215 0.315) 0.735 31.386 ( 0.628 -0.215 0.315) 0.735 31.400 ( -0.413 -0.819 -0.330) 0.975 31.400 ( 0.413 -0.819 -0.330) 0.975 41.592 ( -3.522 2.315 1.430) 4.451 41.592 ( 3.522 2.315 1.430) 4.451 41.764 ( -4.508 -4.981 2.453) 7.152 41.764 ( 4.508 -4.981 2.453) 7.152 42.245 ( -8.282 6.002 0.952) 10.273 42.245 ( 8.282 6.002 0.952) 10.273 42.417 ( -8.970 -1.441 -3.128) 9.609 42.417 ( 8.970 -1.441 -3.128) 9.609 ======================= Grid point 243 (86/120) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 -3.223 -7.440) 8.108 1.316 ( 0.000 3.223 -7.440) 8.108 1.533 ( 0.000 -6.501 2.658) 7.023 1.533 ( 0.000 6.501 2.658) 7.023 1.865 ( 0.000 -0.895 -0.232) 0.924 1.865 ( 0.000 0.895 -0.232) 0.924 2.026 ( 0.000 -3.805 1.259) 4.008 2.026 ( 0.000 3.805 1.259) 4.008 2.159 ( 0.000 -7.723 -1.526) 7.872 2.159 ( 0.000 7.723 -1.526) 7.872 3.187 ( 0.000 -0.129 2.896) 2.899 3.187 ( 0.000 0.129 2.896) 2.899 3.388 ( 0.000 -0.796 4.705) 4.772 3.388 ( 0.000 0.796 4.705) 4.772 3.574 ( 0.000 -10.890 -3.487) 11.435 3.574 ( 0.000 10.890 -3.487) 11.435 3.789 ( 0.000 -6.821 0.533) 6.841 3.789 ( 0.000 6.821 0.533) 6.841 4.160 ( 0.000 -5.728 3.691) 6.814 4.160 ( 0.000 5.728 3.691) 6.815 4.276 ( 0.000 -3.764 4.380) 5.775 4.276 ( 0.000 3.764 4.380) 5.775 4.628 ( 0.000 -4.069 -7.217) 8.285 4.628 ( 0.000 4.069 -7.217) 8.285 5.233 ( 0.000 -2.345 9.858) 10.133 5.233 ( 0.000 2.345 9.858) 10.133 5.352 ( 0.000 -2.546 6.342) 6.834 5.352 ( 0.000 2.546 6.342) 6.834 5.663 ( 0.000 -2.283 -6.528) 6.916 5.663 ( 0.000 2.283 -6.528) 6.916 5.989 ( 0.000 -5.017 4.342) 6.635 5.989 ( 0.000 5.017 4.342) 6.635 7.049 ( 0.000 -1.034 -7.787) 7.856 7.049 ( 0.000 1.034 -7.787) 7.856 7.184 ( 0.000 -3.298 -4.924) 5.927 7.184 ( 0.000 3.298 -4.924) 5.927 19.469 ( 0.000 -0.638 -2.308) 2.394 19.469 ( 0.000 0.638 -2.308) 2.394 19.577 ( 0.000 -2.266 -2.817) 3.615 19.577 ( 0.000 2.266 -2.817) 3.615 19.922 ( 0.000 -0.619 2.208) 2.293 19.922 ( 0.000 0.619 2.208) 2.293 19.985 ( 0.000 -1.336 2.798) 3.100 19.985 ( 0.000 1.336 2.798) 3.100 24.029 ( 0.000 -0.116 0.005) 0.116 24.029 ( 0.000 0.116 0.005) 0.116 24.828 ( 0.000 -0.151 -0.033) 0.155 24.828 ( 0.000 0.151 -0.033) 0.155 31.360 ( 0.000 -0.627 0.276) 0.685 31.360 ( 0.000 0.627 0.276) 0.685 31.428 ( 0.000 -0.392 0.053) 0.395 31.428 ( 0.000 0.392 0.053) 0.395 41.149 ( 0.000 -1.707 0.874) 1.918 41.149 ( 0.000 1.707 0.874) 1.918 41.393 ( 0.000 -1.949 5.125) 5.483 41.393 ( 0.000 1.949 5.125) 5.483 42.016 ( 0.000 -9.595 -10.686) 14.362 42.016 ( 0.000 9.595 -10.686) 14.362 43.876 ( 0.000 -8.023 4.695) 9.296 43.876 ( 0.000 8.023 4.695) 9.296 ======================= Grid point 245 (87/120) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.870 -3.467 -6.688) 7.584 1.328 ( 0.870 3.467 -6.688) 7.584 1.485 ( -3.168 -4.237 0.073) 5.291 1.485 ( -3.168 4.237 0.073) 5.291 1.869 ( -2.014 -0.998 2.889) 3.660 1.869 ( -2.014 0.998 2.889) 3.660 2.047 ( 2.857 -5.396 2.111) 6.460 2.047 ( 2.857 5.396 2.111) 6.460 2.148 ( -0.358 -9.114 -3.814) 9.886 2.148 ( -0.358 9.114 -3.814) 9.886 3.154 ( -3.399 -1.320 3.061) 4.760 3.154 ( -3.399 1.320 3.061) 4.760 3.458 ( 6.294 -5.253 4.195) 9.209 3.458 ( 6.294 5.253 4.195) 9.209 3.598 ( 2.576 -9.548 -2.840) 10.289 3.598 ( 2.576 9.548 -2.840) 10.289 3.811 ( 2.064 -7.789 0.271) 8.063 3.811 ( 2.064 7.789 0.271) 8.063 4.176 ( 1.808 -3.869 6.018) 7.380 4.176 ( 1.808 3.870 6.018) 7.380 4.323 ( 3.554 -4.380 2.478) 6.161 4.323 ( 3.554 4.380 2.478) 6.161 4.651 ( 2.311 -3.072 -5.534) 6.738 4.651 ( 2.311 3.072 -5.534) 6.738 5.173 ( -4.716 -3.350 10.501) 11.989 5.173 ( -4.716 3.350 10.501) 11.989 5.375 ( 1.539 -8.239 4.384) 9.458 5.375 ( 1.539 8.239 4.384) 9.458 5.654 ( -0.887 -2.333 -6.891) 7.329 5.654 ( -0.887 2.333 -6.891) 7.329 5.950 ( -3.733 -4.403 3.209) 6.604 5.950 ( -3.733 4.403 3.209) 6.604 7.034 ( -1.247 -1.586 -7.145) 7.424 7.034 ( -1.247 1.586 -7.145) 7.424 7.178 ( -0.676 -2.892 -4.357) 5.272 7.178 ( -0.676 2.892 -4.357) 5.272 19.472 ( 0.298 -0.772 -2.238) 2.386 19.472 ( 0.298 0.772 -2.238) 2.386 19.570 ( -0.645 -2.244 -2.756) 3.612 19.570 ( -0.645 2.244 -2.756) 3.612 19.924 ( 0.258 -0.683 2.256) 2.371 19.924 ( 0.258 0.683 2.256) 2.371 19.984 ( -0.114 -0.880 2.518) 2.670 19.984 ( -0.114 0.880 2.518) 2.670 24.067 ( 3.617 -0.109 -0.004) 3.619 24.067 ( 3.617 0.109 -0.004) 3.619 24.804 ( -2.246 -0.138 -0.033) 2.251 24.804 ( -2.246 0.138 -0.033) 2.251 31.362 ( 0.219 -0.616 0.248) 0.699 31.362 ( 0.219 0.616 0.248) 0.699 31.424 ( -0.397 -0.324 0.051) 0.515 31.424 ( -0.397 0.324 0.051) 0.515 41.220 ( 6.839 -1.594 1.415) 7.164 41.220 ( 6.839 1.594 1.415) 7.164 41.415 ( 2.122 -2.205 4.744) 5.645 41.415 ( 2.122 2.205 4.744) 5.645 41.998 ( -1.722 -9.249 -10.395) 14.020 41.998 ( -1.722 9.249 -10.395) 14.020 43.742 ( -12.667 -7.285 4.439) 15.272 43.742 ( -12.667 7.285 4.439) 15.272 ======================= Grid point 247 (88/120) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -0.554 -2.771 -1.556) 3.226 1.331 ( -0.554 2.771 -1.556) 3.226 1.472 ( 2.553 -2.667 -6.302) 7.304 1.472 ( 2.553 2.667 -6.302) 7.304 1.766 ( -6.928 -1.954 5.542) 9.085 1.766 ( -6.928 1.954 5.542) 9.085 2.031 ( -4.616 -3.806 -3.369) 6.866 2.031 ( -4.616 3.806 -3.369) 6.866 2.254 ( 9.758 -5.089 0.026) 11.005 2.254 ( 9.758 5.089 0.026) 11.005 3.052 ( -6.218 -2.145 3.075) 7.261 3.052 ( -6.218 2.145 3.075) 7.261 3.597 ( 5.943 -8.981 3.252) 11.249 3.597 ( 5.943 8.981 3.252) 11.249 3.682 ( 5.023 -4.915 -0.225) 7.031 3.682 ( 5.023 4.915 -0.225) 7.031 3.889 ( 6.281 -7.530 0.255) 9.809 3.889 ( 6.281 7.530 0.255) 9.809 4.226 ( 2.346 -4.959 7.359) 9.179 4.226 ( 2.346 4.959 7.359) 9.179 4.380 ( 1.331 -8.645 0.847) 8.788 4.380 ( 1.331 8.645 0.847) 8.788 4.708 ( 1.752 -1.164 1.422) 2.539 4.708 ( 1.752 1.164 1.422) 2.539 5.090 ( -1.441 -2.610 6.785) 7.411 5.090 ( -1.441 2.610 6.785) 7.411 5.401 ( 0.923 -9.239 1.530) 9.410 5.401 ( 0.923 9.239 1.530) 9.410 5.629 ( -1.499 -2.673 -7.415) 8.023 5.629 ( -1.499 2.673 -7.415) 8.023 5.843 ( -6.422 -3.213 0.687) 7.214 5.843 ( -6.422 3.213 0.687) 7.214 7.008 ( -0.923 -1.631 -5.557) 5.864 7.008 ( -0.923 1.631 -5.557) 5.864 7.151 ( -1.993 -1.911 -3.149) 4.188 7.151 ( -1.993 1.911 -3.149) 4.188 19.480 ( 0.522 -1.111 -2.094) 2.428 19.480 ( 0.522 1.111 -2.094) 2.428 19.552 ( -1.019 -2.193 -2.586) 3.540 19.552 ( -1.019 2.193 -2.586) 3.540 19.932 ( 0.514 -1.343 2.243) 2.664 19.932 ( 0.514 1.343 2.243) 2.664 19.980 ( -0.280 -0.777 1.970) 2.136 19.980 ( -0.280 0.777 1.970) 2.136 24.172 ( 6.353 -0.097 -0.024) 6.354 24.172 ( 6.353 0.097 -0.024) 6.354 24.735 ( -4.423 -0.103 -0.036) 4.425 24.735 ( -4.423 0.103 -0.036) 4.425 31.368 ( 0.381 -0.581 0.180) 0.717 31.368 ( 0.381 0.581 0.180) 0.717 31.413 ( -0.608 -0.218 0.043) 0.648 31.413 ( -0.608 0.218 0.043) 0.648 41.423 ( 12.297 -1.231 3.506) 12.846 41.423 ( 12.297 1.231 3.506) 12.846 41.479 ( 4.133 -3.038 3.502) 6.211 41.479 ( 4.133 3.038 3.502) 6.211 41.953 ( -2.154 -8.215 -9.947) 13.080 41.953 ( -2.154 8.215 -9.947) 13.080 43.377 ( -21.860 -5.500 3.586) 22.825 43.377 ( -21.860 5.500 3.586) 22.825 ======================= Grid point 249 (89/120) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 2.484 -0.842 2.043) 3.325 1.344 ( 2.484 0.842 2.043) 3.325 1.544 ( 0.336 -2.819 -4.238) 5.101 1.544 ( 0.336 2.819 -4.238) 5.101 1.635 ( -1.768 -2.415 1.264) 3.249 1.635 ( -1.768 2.415 1.264) 3.249 1.904 ( -7.284 -3.365 -7.102) 10.715 1.904 ( -7.284 3.365 -7.102) 10.715 2.478 ( 11.371 -2.804 2.474) 11.970 2.478 ( 11.371 2.804 2.474) 11.970 2.901 ( -8.404 -2.130 3.439) 9.326 2.901 ( -8.404 2.130 3.439) 9.326 3.701 ( 4.370 -9.897 2.274) 11.055 3.701 ( 4.370 9.897 2.274) 11.055 3.763 ( 2.345 -8.273 0.669) 8.625 3.763 ( 2.345 8.273 0.669) 8.625 4.068 ( 9.661 -4.249 4.009) 11.290 4.068 ( 9.661 4.249 4.009) 11.290 4.250 ( -0.240 -6.417 7.195) 9.644 4.250 ( -0.240 6.417 7.195) 9.644 4.387 ( 0.604 -9.551 0.552) 9.586 4.387 ( 0.604 9.551 0.552) 9.586 4.648 ( -7.217 -2.739 7.815) 10.984 4.648 ( -7.217 2.739 7.814) 10.984 5.177 ( 8.723 -2.097 -0.016) 8.971 5.177 ( 8.723 2.097 -0.016) 8.971 5.412 ( -0.151 -7.802 0.276) 7.808 5.412 ( -0.151 7.802 0.276) 7.808 5.596 ( -1.534 -3.453 -7.282) 8.204 5.596 ( -1.534 3.453 -7.282) 8.204 5.698 ( -7.146 -2.388 -2.441) 7.921 5.698 ( -7.146 2.388 -2.441) 7.921 7.005 ( 0.745 -1.122 -3.735) 3.971 7.005 ( 0.745 1.122 -3.735) 3.971 7.099 ( -2.953 -1.274 -2.291) 3.949 7.099 ( -2.953 1.274 -2.291) 3.949 19.493 ( 0.711 -1.537 -2.024) 2.639 19.493 ( 0.711 1.537 -2.024) 2.639 19.530 ( -1.069 -2.105 -2.344) 3.327 19.530 ( -1.069 2.105 -2.344) 3.327 19.945 ( 0.690 -2.039 2.008) 2.944 19.945 ( 0.690 2.039 2.008) 2.944 19.972 ( -0.501 -1.723 1.641) 2.432 19.972 ( -0.501 1.723 1.641) 2.432 24.319 ( 7.682 -0.080 -0.039) 7.683 24.319 ( 7.682 0.080 -0.039) 7.683 24.624 ( -6.323 -0.063 -0.040) 6.324 24.624 ( -6.323 0.063 -0.040) 6.324 31.377 ( 0.481 -0.516 0.103) 0.712 31.377 ( 0.481 0.516 0.103) 0.712 31.400 ( -0.625 -0.278 0.036) 0.685 31.400 ( -0.625 0.278 0.036) 0.685 41.566 ( 4.771 -3.579 2.575) 6.496 41.566 ( 4.771 3.579 2.575) 6.496 41.669 ( 6.433 -3.141 5.063) 8.768 41.669 ( 6.433 3.141 5.063) 8.768 41.981 ( 9.190 -4.982 -8.517) 13.484 41.981 ( 9.190 4.982 -8.517) 13.484 42.877 ( -25.694 -3.561 1.935) 26.012 42.877 ( -25.694 3.561 1.935) 26.012 ======================= Grid point 251 (90/120) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -6.063 -2.597 4.024) 7.727 1.435 ( -5.830 2.460 4.024) 7.499 1.435 ( 5.830 -2.460 4.024) 7.499 1.435 ( 6.063 2.597 4.024) 7.727 1.745 ( -7.648 -3.808 -8.349) 11.945 1.745 ( -0.961 -0.335 -8.349) 8.411 1.745 ( 0.961 0.335 -8.349) 8.411 1.745 ( 7.648 3.808 -8.349) 11.945 2.706 ( -10.241 -2.367 3.470) 11.069 2.706 ( -9.493 1.384 3.470) 10.202 2.706 ( 9.493 -1.384 3.470) 10.202 2.706 ( 10.241 2.367 3.470) 11.069 3.770 ( -1.796 -9.865 1.147) 10.093 3.770 ( 1.785 -9.865 1.147) 10.090 3.770 ( -1.785 9.865 1.147) 10.090 3.770 ( 1.796 9.865 1.147) 10.093 4.213 ( -2.707 -4.286 7.502) 9.054 4.213 ( 0.438 -4.072 7.502) 8.547 4.213 ( -0.438 4.072 7.502) 8.547 4.213 ( 2.707 4.286 7.502) 9.054 4.473 ( -6.334 -10.640 3.216) 12.793 4.473 ( 2.586 -10.240 3.216) 11.040 4.473 ( -2.586 10.240 3.216) 11.040 4.473 ( 6.334 10.640 3.216) 12.793 5.355 ( -6.216 -4.865 0.416) 7.905 5.355 ( 2.709 -3.981 0.416) 4.833 5.355 ( -2.709 3.981 0.416) 4.833 5.355 ( 6.216 4.865 0.416) 7.905 5.590 ( -2.045 -3.383 -6.103) 7.271 5.590 ( 1.892 -3.360 -6.103) 7.219 5.590 ( -1.892 3.360 -6.103) 7.219 5.590 ( 2.045 3.383 -6.103) 7.271 7.040 ( -1.836 -2.303 -2.467) 3.842 7.040 ( -0.117 -2.113 -2.467) 3.251 7.040 ( 0.117 2.113 -2.467) 3.251 7.040 ( 1.836 2.303 -2.467) 3.842 19.510 ( -0.737 -2.559 -2.120) 3.404 19.510 ( 0.585 -2.549 -2.120) 3.367 19.510 ( -0.585 2.549 -2.120) 3.367 19.510 ( 0.737 2.559 -2.120) 3.404 19.959 ( -0.406 -4.079 1.708) 4.441 19.959 ( 0.326 -4.077 1.708) 4.432 19.959 ( -0.326 4.077 1.708) 4.432 19.959 ( 0.406 4.079 1.708) 4.441 24.479 ( -7.550 -0.069 -0.043) 7.550 24.479 ( -7.549 0.042 -0.043) 7.549 24.479 ( 7.549 -0.042 -0.043) 7.549 24.479 ( 7.550 0.069 -0.043) 7.550 31.388 ( -0.552 -0.421 0.051) 0.696 31.388 ( 0.450 -0.389 0.051) 0.597 31.388 ( -0.450 0.389 0.051) 0.597 31.388 ( 0.552 0.421 0.051) 0.696 41.660 ( -3.853 -4.762 1.755) 6.372 41.660 ( 3.420 -4.678 1.755) 6.055 41.660 ( -3.420 4.678 1.755) 6.055 41.660 ( 3.853 4.762 1.755) 6.372 42.357 ( -22.706 -3.482 -1.147) 23.000 42.357 ( -21.641 0.561 -1.147) 21.679 42.357 ( 21.641 -0.561 -1.147) 21.679 42.357 ( 22.706 3.482 -1.147) 23.000 ======================= Grid point 297 (91/120) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 0.000 -11.538) 11.538 0.943 ( 0.000 0.000 11.538) 11.538 0.997 ( 0.000 0.000 -14.379) 14.379 0.997 ( 0.000 0.000 14.379) 14.379 1.566 ( 0.000 0.000 -2.997) 2.997 1.566 ( 0.000 0.000 2.997) 2.997 1.949 ( 0.000 0.000 -2.681) 2.681 1.949 ( 0.000 0.000 2.681) 2.681 2.412 ( 0.000 0.000 -7.119) 7.119 2.412 ( 0.000 0.000 7.119) 7.119 2.417 ( 0.000 0.000 -30.705) 30.705 2.417 ( 0.000 0.000 30.705) 30.705 2.790 ( 0.000 0.000 -14.316) 14.316 2.790 ( 0.000 0.000 14.316) 14.316 3.457 ( 0.000 0.000 -13.010) 13.010 3.457 ( 0.000 0.000 13.010) 13.010 3.703 ( 0.000 0.000 -10.340) 10.340 3.703 ( 0.000 0.000 10.340) 10.340 3.868 ( 0.000 0.000 -12.176) 12.176 3.868 ( 0.000 0.000 12.176) 12.176 3.971 ( 0.000 0.000 -31.872) 31.872 3.971 ( 0.000 0.000 31.872) 31.872 4.548 ( 0.000 0.000 -11.714) 11.714 4.548 ( 0.000 0.000 11.714) 11.714 4.908 ( 0.000 0.000 -2.393) 2.393 4.908 ( 0.000 0.000 2.393) 2.393 5.110 ( 0.000 0.000 -8.281) 8.281 5.110 ( 0.000 0.000 8.281) 8.281 6.077 ( 0.000 0.000 -11.304) 11.304 6.077 ( 0.000 0.000 11.304) 11.304 6.446 ( 0.000 0.000 -11.273) 11.273 6.446 ( 0.000 0.000 11.273) 11.273 7.269 ( 0.000 0.000 -3.814) 3.814 7.269 ( 0.000 0.000 3.814) 3.814 7.335 ( 0.000 0.000 -4.131) 4.131 7.335 ( 0.000 0.000 4.131) 4.131 19.328 ( 0.000 0.000 -2.387) 2.387 19.328 ( 0.000 0.000 2.387) 2.387 19.578 ( 0.000 0.000 -0.814) 0.814 19.578 ( 0.000 0.000 0.814) 0.814 19.589 ( 0.000 0.000 -7.359) 7.359 19.589 ( 0.000 0.000 7.359) 7.359 19.985 ( 0.000 0.000 -6.798) 6.798 19.985 ( 0.000 0.000 6.798) 6.798 24.041 ( 0.000 0.000 -0.375) 0.375 24.041 ( 0.000 0.000 0.375) 0.375 24.840 ( 0.000 0.000 -0.494) 0.494 24.840 ( 0.000 0.000 0.494) 0.494 31.446 ( 0.000 0.000 -0.933) 0.933 31.446 ( 0.000 0.000 0.933) 0.933 31.496 ( 0.000 0.000 -1.240) 1.240 31.496 ( 0.000 0.000 1.240) 1.240 41.006 ( 0.000 0.000 -7.106) 7.106 41.006 ( 0.000 0.000 7.106) 7.106 41.465 ( 0.000 0.000 -3.297) 3.297 41.465 ( 0.000 0.000 3.297) 3.297 41.838 ( 0.000 0.000 -3.506) 3.506 41.838 ( 0.000 0.000 3.506) 3.506 44.364 ( 0.000 0.000 -1.534) 1.534 44.364 ( 0.000 0.000 1.534) 1.534 ======================= Grid point 299 (92/120) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 3.567 0.000 -10.472) 11.063 0.981 ( 3.567 0.000 10.472) 11.063 0.995 ( 0.182 0.000 -12.033) 12.035 0.995 ( 0.182 0.000 12.033) 12.035 1.554 ( -1.181 0.000 -2.785) 3.025 1.554 ( -1.181 0.000 2.785) 3.025 1.914 ( -2.974 0.000 -1.512) 3.337 1.914 ( -2.974 0.000 1.512) 3.337 2.388 ( -2.189 0.000 -27.758) 27.844 2.388 ( -2.189 0.000 27.758) 27.844 2.395 ( -1.393 0.000 -7.060) 7.196 2.395 ( -1.393 0.000 7.060) 7.196 2.795 ( 0.291 0.000 -11.138) 11.142 2.795 ( 0.291 0.000 11.138) 11.142 3.588 ( -7.290 0.000 -12.009) 14.049 3.588 ( -7.290 0.000 12.009) 14.049 3.661 ( 17.328 0.000 -9.170) 19.605 3.661 ( 17.328 0.000 9.170) 19.605 4.000 ( 8.756 0.000 -10.618) 13.762 4.000 ( 8.756 0.000 10.618) 13.762 4.015 ( 4.195 0.000 -29.647) 29.942 4.015 ( 4.195 0.000 29.647) 29.942 4.561 ( 0.978 0.000 -11.103) 11.146 4.561 ( 0.978 0.000 11.103) 11.146 4.902 ( -0.401 0.000 -1.647) 1.695 4.902 ( -0.401 0.000 1.647) 1.695 5.144 ( 3.543 0.000 -7.540) 8.331 5.144 ( 3.543 0.000 7.540) 8.331 6.054 ( -2.206 0.000 -10.327) 10.560 6.054 ( -2.206 0.000 10.327) 10.560 6.401 ( -4.324 0.000 -10.746) 11.583 6.401 ( -4.324 0.000 10.746) 11.583 7.178 ( -7.198 0.000 -2.492) 7.617 7.178 ( -7.198 0.000 2.492) 7.617 7.328 ( -1.718 0.000 -3.063) 3.512 7.328 ( -1.718 0.000 3.063) 3.512 19.337 ( 0.864 0.000 -2.338) 2.493 19.337 ( 0.864 0.000 2.338) 2.493 19.569 ( -0.928 0.000 -0.900) 1.292 19.569 ( -0.928 0.000 0.900) 1.292 19.596 ( 0.645 0.000 -7.081) 7.110 19.596 ( 0.645 0.000 7.081) 7.110 19.959 ( -2.268 0.000 -6.953) 7.314 19.959 ( -2.268 0.000 6.953) 7.314 24.081 ( 3.789 0.000 -0.159) 3.792 24.081 ( 3.789 0.000 0.159) 3.792 24.816 ( -2.333 0.000 -0.433) 2.373 24.816 ( -2.333 0.000 0.433) 2.373 31.445 ( -0.127 0.000 -0.770) 0.780 31.445 ( -0.127 0.000 0.770) 0.780 31.487 ( -0.792 0.000 -0.922) 1.216 31.487 ( -0.792 0.000 0.922) 1.216 41.037 ( 2.946 0.000 -7.042) 7.633 41.037 ( 2.946 0.000 7.042) 7.633 41.526 ( 5.945 0.000 -3.464) 6.881 41.526 ( 5.945 0.000 3.464) 6.881 41.806 ( -3.066 0.000 -3.796) 4.880 41.806 ( -3.066 0.000 3.796) 4.880 44.132 ( -20.871 0.000 -6.833) 21.961 44.132 ( -20.871 0.000 6.833) 21.961 ======================= Grid point 301 (93/120) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 3.419 0.000 -7.815) 8.531 1.026 ( 3.419 0.000 7.815) 8.531 1.080 ( 5.742 0.000 -8.030) 9.872 1.080 ( 5.742 0.000 8.030) 9.872 1.515 ( -2.611 0.000 -2.586) 3.675 1.515 ( -2.611 0.000 2.586) 3.675 1.825 ( -6.052 0.000 -2.247) 6.455 1.825 ( -6.052 0.000 2.247) 6.455 2.363 ( 0.440 0.000 -22.429) 22.433 2.363 ( 0.440 0.000 22.429) 22.433 2.366 ( -1.152 0.000 -6.504) 6.605 2.366 ( -1.152 0.000 6.504) 6.605 2.790 ( -0.981 0.000 -7.664) 7.726 2.790 ( -0.981 0.000 7.664) 7.726 3.446 ( -6.267 0.000 -11.298) 12.920 3.446 ( -6.267 0.000 11.298) 12.920 4.033 ( 14.876 0.000 -9.322) 17.556 4.033 ( 14.876 0.000 9.322) 17.556 4.150 ( 9.655 0.000 -16.388) 19.021 4.150 ( 9.655 0.000 16.388) 19.021 4.175 ( 7.903 0.000 -9.722) 12.529 4.175 ( 7.903 0.000 9.722) 12.529 4.571 ( -0.436 0.000 -9.814) 9.823 4.571 ( -0.436 0.000 9.814) 9.823 4.901 ( 0.636 0.000 -1.751) 1.863 4.901 ( 0.636 0.000 1.751) 1.863 5.270 ( 8.760 0.000 -5.725) 10.465 5.270 ( 8.760 0.000 5.725) 10.465 5.990 ( -3.762 0.000 -7.485) 8.377 5.990 ( -3.762 0.000 7.485) 8.377 6.270 ( -8.290 0.000 -9.285) 12.447 6.270 ( -8.290 0.000 9.285) 12.447 7.021 ( -6.916 0.000 -0.379) 6.926 7.021 ( -6.916 0.000 0.379) 6.926 7.257 ( -4.946 0.000 -2.921) 5.744 7.257 ( -4.946 0.000 2.921) 5.744 19.363 ( 1.606 0.000 -2.191) 2.716 19.363 ( 1.606 0.000 2.191) 2.716 19.541 ( -1.696 0.000 -1.113) 2.029 19.541 ( -1.696 0.000 1.113) 2.029 19.614 ( 1.034 0.000 -6.147) 6.233 19.614 ( 1.034 0.000 6.147) 6.233 19.904 ( -2.851 0.000 -6.575) 7.166 19.904 ( -2.851 0.000 6.575) 7.166 24.189 ( 6.378 0.000 -0.356) 6.388 24.189 ( 6.378 0.000 0.356) 6.388 24.745 ( -4.492 0.000 -0.264) 4.500 24.745 ( -4.492 0.000 0.264) 4.500 31.438 ( -0.591 0.000 -0.406) 0.717 31.438 ( -0.591 0.000 0.406) 0.717 31.473 ( -0.350 0.000 -0.408) 0.537 31.473 ( -0.350 0.000 0.408) 0.537 41.125 ( 5.449 0.000 -6.832) 8.739 41.125 ( 5.449 0.000 6.832) 8.739 41.710 ( 11.881 0.000 -5.184) 12.963 41.710 ( 11.881 0.000 5.184) 12.963 41.715 ( -5.620 0.000 -4.474) 7.183 41.715 ( -5.620 0.000 4.474) 7.183 43.594 ( -29.196 0.000 -14.770) 32.719 43.594 ( -29.196 0.000 14.770) 32.719 ======================= Grid point 303 (94/120) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 7.611 0.000 -4.466) 8.825 1.144 ( 7.611 0.000 4.466) 8.825 1.206 ( 6.201 0.000 -5.508) 8.294 1.206 ( 6.201 0.000 5.508) 8.294 1.445 ( -4.171 0.000 -2.855) 5.055 1.445 ( -4.171 0.000 2.855) 5.055 1.662 ( -9.162 0.000 -2.791) 9.578 1.662 ( -9.162 0.000 2.791) 9.578 2.353 ( -0.174 0.000 -4.285) 4.289 2.353 ( -0.174 0.000 4.285) 4.289 2.403 ( 2.682 0.000 -14.259) 14.509 2.403 ( 2.682 0.000 14.259) 14.509 2.757 ( -1.892 0.000 -6.485) 6.755 2.757 ( -1.892 0.000 6.485) 6.755 3.338 ( -3.916 0.000 -7.042) 8.057 3.338 ( -3.916 0.000 7.042) 8.057 4.238 ( 7.279 0.000 -18.053) 19.465 4.238 ( 7.279 0.000 18.053) 19.465 4.323 ( 6.393 0.000 -8.822) 10.895 4.323 ( 6.393 0.000 8.822) 10.895 4.350 ( 6.143 0.000 -2.939) 6.810 4.350 ( 6.143 0.000 2.939) 6.810 4.535 ( -3.015 0.000 -8.805) 9.307 4.535 ( -3.015 0.000 8.805) 9.307 4.936 ( 2.310 0.000 -3.142) 3.900 4.936 ( 2.310 0.000 3.142) 3.900 5.494 ( 12.364 0.000 -4.519) 13.164 5.494 ( 12.364 0.000 4.519) 13.164 5.916 ( -2.904 0.000 -3.697) 4.701 5.916 ( -2.904 0.000 3.697) 4.701 6.066 ( -11.155 0.000 -7.148) 13.248 6.066 ( -11.155 0.000 7.148) 13.248 6.928 ( -1.810 0.000 -1.919) 2.638 6.928 ( -1.810 0.000 1.919) 2.638 7.138 ( -6.046 0.000 -2.997) 6.748 7.138 ( -6.046 0.000 2.997) 6.748 19.401 ( 2.067 0.000 -1.925) 2.824 19.401 ( 2.067 0.000 1.925) 2.824 19.501 ( -2.131 0.000 -1.351) 2.523 19.501 ( -2.131 0.000 1.351) 2.523 19.635 ( 0.890 0.000 -4.039) 4.136 19.635 ( 0.890 0.000 4.039) 4.136 19.852 ( -1.913 0.000 -4.447) 4.841 19.852 ( -1.913 0.000 4.447) 4.841 24.334 ( 7.479 0.000 -0.454) 7.492 24.334 ( 7.479 0.000 0.454) 7.492 24.633 ( -6.240 0.000 -0.098) 6.240 24.633 ( -6.240 0.000 0.098) 6.240 31.425 ( -0.464 0.000 -0.257) 0.530 31.425 ( -0.464 0.000 0.257) 0.530 31.471 ( 0.000 0.000 -0.303) 0.303 31.471 ( 0.000 0.000 0.303) 0.303 41.256 ( 7.037 0.000 -6.379) 9.498 41.256 ( 7.037 0.000 6.379) 9.498 41.581 ( -7.157 0.000 -5.158) 8.822 41.581 ( -7.157 0.000 5.158) 8.822 42.014 ( 17.511 0.000 -8.907) 19.646 42.014 ( 17.511 0.000 8.907) 19.646 42.995 ( -27.776 0.000 -16.578) 32.347 42.995 ( -27.776 0.000 16.578) 32.347 ======================= Grid point 305 (95/120) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.000 0.000 -0.000) 0.000 1.267 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 -0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.366 ( -0.000 0.000 -0.000) 0.000 1.366 ( -0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 -0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 -0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 -0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 -0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 -0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 -0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.393 ( -0.000 0.000 -0.000) 0.000 4.393 ( -0.000 0.000 0.000) 0.000 4.423 ( -0.000 0.000 -0.000) 0.000 4.423 ( -0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 -0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.965 ( 0.000 0.000 -0.000) 0.000 4.965 ( 0.000 0.000 0.000) 0.000 5.700 ( -0.000 0.000 -0.000) 0.000 5.700 ( -0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 -0.000) 0.000 5.875 ( 0.000 0.000 0.000) 0.000 5.885 ( 0.000 0.000 -0.000) 0.000 5.885 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 -0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 -0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 19.437 ( -0.000 0.000 -0.000) 0.000 19.437 ( 0.000 0.000 0.000) 0.000 19.465 ( 0.000 0.000 0.000) 0.000 19.465 ( 0.000 0.000 0.000) 0.000 19.645 ( 0.000 0.000 -0.000) 0.000 19.645 ( 0.000 0.000 0.000) 0.000 19.831 ( 0.000 0.000 -0.000) 0.000 19.831 ( 0.000 0.000 0.000) 0.000 24.475 ( -0.000 0.000 -0.000) 0.000 24.475 ( -0.000 0.000 0.000) 0.000 24.506 ( 0.000 0.000 -0.000) 0.000 24.506 ( 0.000 0.000 0.000) 0.000 31.421 ( 0.000 0.000 0.000) 0.000 31.421 ( 0.000 0.000 0.000) 0.000 31.471 ( 0.000 0.000 -0.000) 0.000 31.471 ( 0.000 0.000 0.000) 0.000 41.381 ( 0.000 0.000 -0.000) 0.000 41.381 ( 0.000 0.000 0.000) 0.000 41.454 ( -0.000 0.000 -0.000) 0.000 41.454 ( -0.000 0.000 0.000) 0.000 42.361 ( 0.000 0.000 -0.000) 0.000 42.361 ( 0.000 0.000 0.000) 0.000 42.540 ( -0.000 0.000 -0.000) 0.000 42.540 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 315 (96/120) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 0.000 4.936 -4.898) 6.954 1.011 ( 0.000 4.936 4.898) 6.954 1.061 ( 0.000 5.902 -1.443) 6.076 1.061 ( 0.000 5.902 1.443) 6.076 1.699 ( 0.000 9.475 -1.202) 9.551 1.699 ( 0.000 9.475 1.202) 9.551 1.858 ( 0.000 -2.687 -3.838) 4.685 1.858 ( 0.000 -2.687 3.838) 4.685 2.431 ( 0.000 2.323 -29.985) 30.074 2.431 ( 0.000 2.323 29.985) 30.074 2.602 ( 0.000 13.975 -6.366) 15.356 2.602 ( 0.000 13.975 6.366) 15.356 2.749 ( 0.000 -3.611 -12.535) 13.045 2.749 ( 0.000 -3.611 12.535) 13.045 3.449 ( 0.000 -0.677 -11.921) 11.940 3.449 ( 0.000 -0.677 11.921) 11.940 3.680 ( 0.000 -0.693 -0.151) 0.710 3.680 ( 0.000 -0.693 0.151) 0.710 3.850 ( 0.000 2.662 -12.018) 12.309 3.850 ( 0.000 2.662 12.018) 12.309 4.212 ( 0.000 16.359 -21.276) 26.838 4.212 ( 0.000 16.359 21.276) 26.838 4.668 ( 0.000 11.648 -9.743) 15.186 4.668 ( 0.000 11.648 9.743) 15.186 4.959 ( 0.000 5.293 -0.171) 5.296 4.959 ( 0.000 5.293 0.171) 5.296 5.100 ( 0.000 -1.114 -8.787) 8.857 5.100 ( 0.000 -1.114 8.787) 8.857 6.015 ( 0.000 -6.224 -11.503) 13.079 6.015 ( 0.000 -6.224 11.503) 13.079 6.413 ( 0.000 -3.359 -10.089) 10.633 6.413 ( 0.000 -3.359 10.089) 10.633 7.139 ( 0.000 -12.080 -3.203) 12.498 7.139 ( 0.000 -12.080 3.203) 12.498 7.303 ( 0.000 -2.909 -3.442) 4.507 7.303 ( 0.000 -2.909 3.442) 4.507 19.396 ( 0.000 6.554 -1.982) 6.847 19.396 ( 0.000 6.554 1.982) 6.847 19.542 ( 0.000 -2.338 -2.653) 3.536 19.542 ( 0.000 -2.338 2.653) 3.536 19.604 ( 0.000 0.274 -5.707) 5.714 19.604 ( 0.000 0.274 5.707) 5.714 19.978 ( 0.000 -0.440 -6.138) 6.154 19.978 ( 0.000 -0.440 6.138) 6.154 24.040 ( 0.000 -0.111 -0.357) 0.374 24.040 ( 0.000 -0.111 0.357) 0.374 24.839 ( 0.000 -0.113 -0.470) 0.483 24.839 ( 0.000 -0.113 0.470) 0.483 31.437 ( 0.000 -0.891 -0.990) 1.332 31.437 ( 0.000 -0.891 0.990) 1.332 31.490 ( 0.000 -0.639 -1.182) 1.344 31.490 ( 0.000 -0.639 1.182) 1.344 41.026 ( 0.000 1.947 -6.849) 7.120 41.026 ( 0.000 1.947 6.849) 7.120 41.429 ( 0.000 -2.505 -1.922) 3.158 41.429 ( 0.000 -2.505 1.922) 3.158 41.944 ( 0.000 8.699 -0.581) 8.718 41.944 ( 0.000 8.699 0.581) 8.718 44.257 ( 0.000 -9.822 -2.781) 10.208 44.257 ( 0.000 -9.822 2.781) 10.208 ======================= Grid point 317 (97/120) ======================= q-point: ( 0.12 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.942 4.016 -8.806) 9.724 1.022 ( 0.942 4.016 8.806) 9.724 1.081 ( 2.268 6.604 -4.504) 8.310 1.081 ( 2.268 6.604 4.504) 8.310 1.666 ( -2.943 7.830 -1.553) 8.508 1.666 ( -2.943 7.830 1.553) 8.508 1.839 ( -1.821 -2.360 -2.295) 3.762 1.839 ( -1.821 -2.360 2.295) 3.762 2.414 ( -1.322 3.530 -26.909) 27.172 2.414 ( -1.322 3.530 26.909) 27.172 2.586 ( -0.934 14.240 -7.166) 15.969 2.586 ( -0.934 14.240 7.166) 15.969 2.760 ( 0.720 -2.549 -10.251) 10.588 2.760 ( 0.720 -2.549 10.251) 10.588 3.576 ( 1.241 -0.941 -7.608) 7.766 3.576 ( 1.241 -0.941 7.608) 7.766 3.666 ( 9.350 0.982 -6.110) 11.212 3.666 ( 9.350 0.982 6.110) 11.212 3.931 ( 6.331 0.599 -13.041) 14.509 3.931 ( 6.331 0.599 13.041) 14.509 4.258 ( 3.926 14.675 -18.062) 23.600 4.258 ( 3.926 14.675 18.062) 23.600 4.672 ( 0.112 10.533 -9.668) 14.298 4.672 ( 0.112 10.533 9.668) 14.298 4.955 ( -0.401 5.627 -1.535) 5.846 4.955 ( -0.401 5.627 1.535) 5.846 5.136 ( 3.883 -0.921 -7.675) 8.650 5.136 ( 3.883 -0.921 7.675) 8.650 5.989 ( -2.562 -6.611 -10.586) 12.741 5.989 ( -2.562 -6.611 10.586) 12.741 6.365 ( -4.643 -3.697 -9.393) 11.111 6.365 ( -4.643 -3.697 9.393) 11.111 7.072 ( -5.601 -10.095 -1.918) 11.703 7.072 ( -5.601 -10.095 1.918) 11.703 7.291 ( -1.536 -3.051 -2.439) 4.197 7.291 ( -1.536 -3.051 2.439) 4.197 19.400 ( 0.400 6.062 -1.916) 6.371 19.400 ( 0.400 6.062 1.916) 6.371 19.537 ( -0.573 -2.300 -2.023) 3.116 19.537 ( -0.573 -2.300 2.023) 3.116 19.608 ( 0.421 0.406 -5.621) 5.651 19.608 ( 0.421 0.406 5.621) 5.651 19.958 ( -1.720 0.117 -6.153) 6.390 19.958 ( -1.720 0.117 6.153) 6.390 24.080 ( 3.749 -0.157 -0.186) 3.757 24.080 ( 3.749 -0.157 0.186) 3.757 24.815 ( -2.327 -0.106 -0.413) 2.366 24.815 ( -2.327 -0.106 0.413) 2.366 31.436 ( -0.065 -0.850 -0.864) 1.214 31.436 ( -0.065 -0.850 0.864) 1.214 31.480 ( -0.796 -0.605 -0.899) 1.344 31.480 ( -0.796 -0.605 0.899) 1.344 41.061 ( 3.362 2.411 -6.758) 7.924 41.061 ( 3.362 2.411 6.758) 7.924 41.483 ( 5.131 -3.007 -2.166) 6.329 41.483 ( 5.131 -3.007 2.166) 6.329 41.916 ( -2.632 8.820 -2.070) 9.434 41.916 ( -2.632 8.820 2.070) 9.434 44.043 ( -19.481 -8.281 -5.061) 21.765 44.043 ( -19.481 -8.281 5.061) 21.765 ======================= Grid point 319 (98/120) ======================= q-point: ( 0.25 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 3.252 3.558 -7.548) 8.956 1.060 ( 3.252 3.558 7.548) 8.956 1.155 ( 4.699 6.088 -5.483) 9.445 1.155 ( 4.699 6.088 5.483) 9.445 1.590 ( -4.260 5.694 -1.898) 7.360 1.590 ( -4.260 5.694 1.898) 7.360 1.774 ( -4.684 -2.789 -2.073) 5.833 1.774 ( -4.684 -2.789 2.073) 5.833 2.400 ( 0.448 5.144 -20.964) 21.591 2.400 ( 0.448 5.144 20.964) 21.591 2.580 ( 0.337 16.441 -7.590) 18.112 2.580 ( 0.337 16.441 7.590) 18.112 2.764 ( -0.517 -1.078 -7.050) 7.150 2.764 ( -0.517 -1.078 7.050) 7.150 3.497 ( -4.557 4.881 -11.345) 13.165 3.497 ( -4.557 4.881 11.345) 13.165 3.992 ( 15.380 -3.361 -4.013) 16.247 3.992 ( 15.380 -3.361 4.013) 16.247 4.091 ( 9.464 -0.775 -12.106) 15.386 4.091 ( 9.464 -0.775 12.106) 15.386 4.350 ( 4.609 10.890 -12.791) 17.420 4.350 ( 4.609 10.890 12.791) 17.420 4.659 ( -1.641 7.993 -9.760) 12.722 4.659 ( -1.641 7.993 9.760) 12.722 4.943 ( -0.523 4.712 -3.171) 5.704 4.943 ( -0.523 4.712 3.171) 5.704 5.274 ( 9.398 0.308 -5.041) 10.669 5.274 ( 9.398 0.308 5.041) 10.669 5.915 ( -4.360 -7.634 -8.058) 11.926 5.915 ( -4.360 -7.634 8.058) 11.926 6.226 ( -8.564 -4.364 -7.919) 12.454 6.226 ( -8.564 -4.364 7.919) 12.454 6.952 ( -5.015 -6.388 -0.562) 8.141 6.952 ( -5.015 -6.388 0.562) 8.141 7.230 ( -4.385 -2.357 -2.267) 5.469 7.230 ( -4.385 -2.357 2.267) 5.469 19.412 ( 0.782 4.636 -1.722) 5.007 19.412 ( 0.782 4.636 1.722) 5.007 19.519 ( -1.154 -1.725 -1.229) 2.412 19.519 ( -1.154 -1.725 1.229) 2.412 19.621 ( 0.781 0.423 -4.969) 5.048 19.621 ( 0.781 0.423 4.969) 5.048 19.916 ( -2.113 1.384 -5.564) 6.111 19.916 ( -2.113 1.384 5.564) 6.111 24.186 ( 6.367 -0.212 -0.280) 6.377 24.186 ( 6.367 -0.212 0.280) 6.377 24.744 ( -4.490 -0.095 -0.255) 4.499 24.744 ( -4.490 -0.095 0.255) 4.499 31.432 ( -0.404 -0.600 -0.494) 0.876 31.432 ( -0.404 -0.600 0.494) 0.876 31.465 ( -0.506 -0.747 -0.339) 0.964 31.465 ( -0.506 -0.747 0.339) 0.964 41.160 ( 6.022 3.495 -6.418) 9.470 41.160 ( 6.022 3.495 6.418) 9.470 41.626 ( 7.164 -3.472 -3.472) 8.685 41.626 ( 7.164 -3.472 3.472) 8.685 41.856 ( -1.434 8.413 -5.125) 9.955 41.856 ( -1.434 8.413 5.125) 9.955 43.532 ( -28.064 -5.696 -11.799) 30.972 43.532 ( -28.064 -5.696 11.799) 30.972 ======================= Grid point 321 (99/120) ======================= q-point: ( 0.38 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 6.341 2.097 -3.555) 7.566 1.163 ( 6.341 2.097 3.555) 7.566 1.263 ( 5.386 4.810 -3.616) 8.076 1.263 ( 5.386 4.810 3.616) 8.076 1.490 ( -5.412 3.918 -1.745) 6.905 1.490 ( -5.412 3.918 1.745) 6.905 1.651 ( -6.616 -0.626 -2.844) 7.229 1.651 ( -6.616 -0.626 2.844) 7.229 2.430 ( 1.931 3.879 -13.006) 13.709 2.430 ( 1.931 3.879 13.006) 13.709 2.594 ( 0.839 19.534 -5.812) 20.397 2.594 ( 0.839 19.534 5.812) 20.397 2.743 ( -1.259 0.566 -5.157) 5.338 2.743 ( -1.259 0.566 5.157) 5.338 3.416 ( -3.011 7.203 -7.370) 10.736 3.416 ( -3.011 7.203 7.370) 10.736 4.216 ( 7.693 -1.277 -12.581) 14.802 4.216 ( 7.693 -1.277 12.581) 14.802 4.302 ( 8.223 -1.986 -6.112) 10.437 4.302 ( 8.223 -1.986 6.112) 10.437 4.438 ( 3.815 6.989 -8.834) 11.892 4.438 ( 3.815 6.989 8.834) 11.892 4.603 ( -3.693 6.172 -8.232) 10.932 4.603 ( -3.693 6.172 8.232) 10.932 4.944 ( 0.640 2.006 -3.526) 4.107 4.944 ( 0.640 2.006 3.526) 4.107 5.500 ( 11.696 0.162 -4.245) 12.444 5.500 ( 11.696 0.162 4.245) 12.444 5.827 ( -3.592 -8.846 -4.878) 10.721 5.827 ( -3.592 -8.846 4.878) 10.721 6.024 ( -10.628 -4.303 -6.162) 13.017 6.024 ( -10.628 -4.303 6.162) 13.017 6.892 ( -0.653 -3.145 -1.794) 3.679 6.892 ( -0.653 -3.145 1.794) 3.679 7.121 ( -5.576 -1.423 -2.540) 6.291 7.121 ( -5.576 -1.423 2.540) 6.291 19.432 ( 1.107 2.407 -1.435) 3.013 19.432 ( 1.107 2.407 1.435) 3.013 19.491 ( -1.417 -0.218 -1.061) 1.784 19.491 ( -1.417 -0.218 1.061) 1.784 19.637 ( 0.671 0.197 -3.141) 3.218 19.637 ( 0.671 0.197 3.141) 3.218 19.879 ( -1.353 2.628 -3.527) 4.602 19.879 ( -1.353 2.628 3.527) 4.602 24.332 ( 7.507 -0.192 -0.367) 7.518 24.332 ( 7.507 -0.192 0.367) 7.518 24.632 ( -6.255 -0.106 -0.070) 6.257 24.632 ( -6.255 -0.106 0.070) 6.257 31.422 ( -0.383 -0.303 -0.247) 0.548 31.422 ( -0.383 -0.303 0.247) 0.548 31.460 ( -0.082 -1.011 -0.244) 1.044 31.460 ( -0.082 -1.011 0.244) 1.044 41.301 ( 7.336 4.379 -5.612) 10.222 41.301 ( 7.336 4.379 5.612) 10.222 41.633 ( -5.380 4.643 -3.175) 7.783 41.633 ( -5.380 4.643 3.175) 7.783 42.010 ( 15.487 -0.334 -9.068) 17.950 42.010 ( 15.487 -0.334 9.068) 17.950 42.949 ( -27.377 -4.285 -14.301) 31.183 42.949 ( -27.377 -4.285 14.301) 31.183 ======================= Grid point 323 (100/120) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.000 0.663 -0.000) 0.663 1.263 ( 0.000 0.663 0.000) 0.663 1.367 ( -0.000 4.701 -0.000) 4.701 1.367 ( -0.000 4.701 0.000) 4.701 1.374 ( 0.000 0.936 -0.000) 0.936 1.374 ( 0.000 0.936 0.000) 0.936 1.561 ( 0.000 3.214 -0.000) 3.214 1.561 ( 0.000 3.214 0.000) 3.214 2.455 ( 0.000 2.112 -0.000) 2.112 2.455 ( 0.000 2.112 0.000) 2.112 2.604 ( 0.000 21.431 -0.000) 21.431 2.604 ( 0.000 21.431 0.000) 21.431 2.727 ( 0.000 1.456 -0.000) 1.456 2.727 ( 0.000 1.456 0.000) 1.456 3.383 ( 0.000 7.992 -0.000) 7.992 3.383 ( 0.000 7.992 0.000) 7.992 4.309 ( 0.000 -2.327 -0.000) 2.327 4.309 ( 0.000 -2.327 0.000) 2.327 4.383 ( -0.000 0.406 -0.000) 0.406 4.383 ( -0.000 0.406 0.000) 0.406 4.515 ( -0.000 7.627 -0.000) 7.627 4.515 ( -0.000 7.627 0.000) 7.627 4.519 ( 0.000 3.638 -0.000) 3.638 4.519 ( 0.000 3.638 0.000) 3.638 4.955 ( 0.000 0.390 -0.000) 0.390 4.955 ( 0.000 0.390 0.000) 0.390 5.694 ( -0.000 -0.677 -0.000) 0.677 5.694 ( -0.000 -0.677 0.000) 0.677 5.772 ( 0.000 -9.486 -0.000) 9.486 5.772 ( 0.000 -9.486 0.000) 9.486 5.856 ( 0.000 -3.925 -0.000) 3.925 5.856 ( 0.000 -3.925 0.000) 3.925 6.901 ( 0.000 -2.023 -0.000) 2.023 6.901 ( 0.000 -2.023 0.000) 2.023 7.046 ( 0.000 -0.926 -0.000) 0.926 7.046 ( 0.000 -0.926 0.000) 0.926 19.452 ( -0.000 -1.158 -0.000) 1.158 19.452 ( -0.000 -1.158 0.000) 1.158 19.468 ( 0.000 3.059 -0.000) 3.059 19.468 ( 0.000 3.059 0.000) 3.059 19.645 ( 0.000 0.037 -0.000) 0.037 19.645 ( 0.000 0.037 0.000) 0.037 19.865 ( 0.000 3.169 0.000) 3.169 19.865 ( 0.000 3.169 0.000) 3.169 24.474 ( -0.000 -0.077 -0.000) 0.077 24.474 ( -0.000 -0.077 0.000) 0.077 24.503 ( 0.000 -0.206 -0.000) 0.206 24.503 ( 0.000 -0.206 0.000) 0.206 31.418 ( 0.000 -0.219 -0.000) 0.219 31.418 ( 0.000 -0.219 0.000) 0.219 31.460 ( 0.000 -1.098 -0.000) 1.098 31.460 ( 0.000 -1.098 0.000) 1.098 41.420 ( 0.000 3.625 -0.000) 3.625 41.420 ( 0.000 3.625 0.000) 3.625 41.529 ( -0.000 7.290 -0.000) 7.290 41.529 ( -0.000 7.290 0.000) 7.290 42.356 ( 0.000 -0.381 -0.000) 0.381 42.356 ( 0.000 -0.381 0.000) 0.381 42.483 ( -0.000 -5.679 -0.000) 5.679 42.483 ( -0.000 -5.679 0.000) 5.679 ======================= Grid point 333 (101/120) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 7.855 -10.048) 12.754 1.134 ( 0.000 7.855 10.048) 12.754 1.152 ( 0.000 3.127 -4.778) 5.710 1.152 ( 0.000 3.127 4.778) 5.710 1.747 ( 0.000 0.976 -0.745) 1.228 1.747 ( 0.000 0.976 0.745) 1.228 1.978 ( 0.000 6.844 -1.779) 7.071 1.978 ( 0.000 6.844 1.779) 7.071 2.556 ( 0.000 11.329 -23.526) 26.111 2.556 ( 0.000 11.329 23.526) 26.111 2.610 ( 0.000 -7.945 -12.514) 14.823 2.610 ( 0.000 -7.945 12.514) 14.823 2.898 ( 0.000 13.529 -1.744) 13.641 2.898 ( 0.000 13.529 1.744) 13.641 3.441 ( 0.000 0.030 -10.025) 10.025 3.441 ( 0.000 0.030 10.025) 10.025 3.715 ( 0.000 4.052 -1.735) 4.408 3.715 ( 0.000 4.052 1.735) 4.408 3.938 ( 0.000 5.501 -10.144) 11.540 3.938 ( 0.000 5.501 10.144) 11.540 4.476 ( 0.000 9.282 -18.291) 20.512 4.476 ( 0.000 9.282 18.291) 20.512 4.911 ( 0.000 10.661 -8.497) 13.633 4.911 ( 0.000 10.661 8.497) 13.633 5.040 ( 0.000 -4.083 -7.051) 8.148 5.040 ( 0.000 -4.083 7.051) 8.148 5.146 ( 0.000 12.379 -2.312) 12.593 5.146 ( 0.000 12.379 2.312) 12.593 5.850 ( 0.000 -10.172 -11.474) 15.334 5.850 ( 0.000 -10.172 11.474) 15.334 6.321 ( 0.000 -5.977 -7.609) 9.676 6.321 ( 0.000 -5.977 7.609) 9.676 6.899 ( 0.000 -10.006 -1.613) 10.136 6.899 ( 0.000 -10.006 1.613) 10.136 7.236 ( 0.000 -3.552 -4.263) 5.549 7.236 ( 0.000 -3.552 4.263) 5.549 19.496 ( 0.000 -1.999 -2.365) 3.097 19.496 ( 0.000 -1.999 2.365) 3.097 19.547 ( 0.000 6.212 -2.508) 6.699 19.547 ( 0.000 6.212 2.508) 6.699 19.609 ( 0.000 2.293 -4.482) 5.034 19.609 ( 0.000 2.293 4.482) 5.034 19.979 ( 0.000 0.612 -4.447) 4.489 19.979 ( 0.000 0.612 4.447) 4.489 24.037 ( 0.000 -0.181 -0.305) 0.354 24.037 ( 0.000 -0.181 0.305) 0.354 24.836 ( 0.000 -0.192 -0.400) 0.444 24.836 ( 0.000 -0.192 0.400) 0.444 31.414 ( 0.000 -1.321 -1.079) 1.706 31.414 ( 0.000 -1.321 1.079) 1.706 31.473 ( 0.000 -1.039 -1.013) 1.451 31.473 ( 0.000 -1.039 1.013) 1.451 41.074 ( 0.000 2.786 -5.915) 6.538 41.074 ( 0.000 2.786 5.915) 6.538 41.394 ( 0.000 -0.976 -0.225) 1.002 41.394 ( 0.000 -0.976 0.225) 1.002 42.085 ( 0.000 4.143 -6.405) 7.629 42.085 ( 0.000 4.143 6.405) 7.629 44.053 ( 0.000 -9.426 -7.370) 11.965 44.053 ( 0.000 -9.426 7.370) 11.965 ======================= Grid point 335 (102/120) ======================= q-point: ( 0.12 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.316 7.321 -9.926) 12.338 1.135 ( 0.316 7.321 9.926) 12.338 1.184 ( 2.903 3.705 -6.749) 8.228 1.184 ( 2.903 3.705 6.749) 8.228 1.718 ( -2.391 1.215 -1.320) 2.989 1.718 ( -2.391 1.215 1.320) 2.989 1.920 ( -5.337 5.477 -0.301) 7.653 1.920 ( -5.337 5.477 0.301) 7.653 2.543 ( -0.958 6.995 -20.132) 21.334 2.543 ( -0.958 6.995 20.132) 21.334 2.634 ( 1.837 -2.744 -9.866) 10.404 2.634 ( 1.837 -2.744 9.866) 10.404 2.927 ( 2.793 15.201 -2.241) 15.617 2.927 ( 2.793 15.201 2.241) 15.617 3.558 ( 8.743 -0.905 -7.145) 11.327 3.558 ( 8.743 -0.905 7.145) 11.327 3.718 ( 1.814 4.564 -5.730) 7.547 3.718 ( 1.814 4.564 5.730) 7.547 3.989 ( 4.776 4.481 -9.281) 11.359 3.989 ( 4.776 4.481 9.281) 11.359 4.498 ( 1.824 8.700 -16.741) 18.955 4.498 ( 1.824 8.700 16.741) 18.955 4.880 ( -2.466 8.545 -8.923) 12.598 4.880 ( -2.466 8.545 8.923) 12.598 5.079 ( 1.851 -1.515 -7.216) 7.603 5.079 ( 1.851 -1.515 7.216) 7.603 5.155 ( 2.390 10.740 -5.747) 12.413 5.155 ( 2.390 10.740 5.747) 12.413 5.813 ( -3.445 -10.629 -10.993) 15.674 5.813 ( -3.445 -10.629 10.993) 15.674 6.265 ( -5.268 -6.274 -6.878) 10.697 6.265 ( -5.268 -6.274 6.878) 10.697 6.869 ( -2.314 -8.313 -1.225) 8.716 6.869 ( -2.314 -8.313 1.225) 8.716 7.228 ( -1.050 -3.199 -2.865) 4.421 7.228 ( -1.050 -3.199 2.865) 4.421 19.490 ( -0.739 -1.743 -1.605) 2.482 19.490 ( -0.739 -1.743 1.605) 2.482 19.539 ( -0.490 5.339 -1.259) 5.507 19.539 ( -0.490 5.339 1.259) 5.507 19.620 ( 0.865 2.603 -3.662) 4.575 19.620 ( 0.865 2.603 3.662) 4.575 19.971 ( -0.669 1.183 -4.290) 4.500 19.971 ( -0.669 1.183 4.290) 4.500 24.076 ( 3.677 -0.224 -0.217) 3.690 24.076 ( 3.677 -0.224 0.217) 3.690 24.812 ( -2.309 -0.178 -0.355) 2.343 24.812 ( -2.309 -0.178 0.355) 2.343 31.415 ( 0.034 -1.282 -1.011) 1.633 31.415 ( 0.034 -1.282 1.011) 1.633 31.465 ( -0.731 -0.952 -0.800) 1.442 31.465 ( -0.731 -0.952 0.800) 1.442 41.123 ( 4.553 3.633 -5.848) 8.254 41.123 ( 4.553 3.633 5.848) 8.254 41.436 ( 4.144 -1.683 -1.274) 4.651 41.436 ( 4.144 -1.683 1.274) 4.651 42.059 ( -2.452 4.325 -5.996) 7.789 42.059 ( -2.452 4.325 5.996) 7.789 43.871 ( -16.763 -7.797 -5.077) 19.172 43.871 ( -16.763 -7.797 5.077) 19.172 ======================= Grid point 337 (103/120) ======================= q-point: ( 0.25 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 2.030 6.004 -6.283) 8.924 1.157 ( 2.030 6.004 6.283) 8.924 1.265 ( 4.619 4.450 -5.901) 8.715 1.265 ( 4.619 4.450 5.901) 8.715 1.664 ( -2.772 2.431 -0.851) 3.784 1.664 ( -2.772 2.431 0.851) 3.784 1.778 ( -7.792 2.607 -2.145) 8.492 1.778 ( -7.792 2.607 2.145) 8.492 2.526 ( -0.499 4.975 -15.522) 16.308 2.526 ( -0.499 4.975 15.522) 16.308 2.671 ( 1.547 -0.016 -8.152) 8.298 2.671 ( 1.547 -0.016 8.152) 8.298 3.006 ( 4.557 19.450 -3.142) 20.222 3.006 ( 4.557 19.450 3.142) 20.222 3.620 ( -1.217 7.457 -9.728) 12.318 3.620 ( -1.217 7.457 9.728) 12.318 3.907 ( 13.403 -4.947 -1.996) 14.426 3.907 ( 13.403 -4.947 1.996) 14.426 4.121 ( 7.628 3.100 -10.661) 13.471 4.121 ( 7.628 3.100 10.661) 13.471 4.536 ( 1.561 7.044 -14.197) 15.925 4.536 ( 1.561 7.044 14.197) 15.925 4.822 ( -3.093 8.123 -9.395) 12.799 4.822 ( -3.093 8.123 9.395) 12.799 5.070 ( -1.598 5.724 -3.667) 6.984 5.070 ( -1.598 5.724 3.667) 6.984 5.281 ( 8.510 1.095 -1.435) 8.700 5.281 ( 8.510 1.095 1.435) 8.700 5.716 ( -5.522 -11.486 -9.712) 16.023 5.716 ( -5.522 -11.486 9.712) 16.023 6.114 ( -9.008 -6.774 -6.212) 12.870 6.114 ( -9.008 -6.774 6.212) 12.870 6.830 ( -0.960 -4.564 -1.030) 4.776 6.830 ( -0.960 -4.564 1.030) 4.776 7.183 ( -3.387 -2.231 -0.761) 4.127 7.183 ( -3.387 -2.231 0.761) 4.127 19.466 ( -1.373 -0.918 -0.511) 1.729 19.466 ( -1.373 -0.918 0.511) 1.729 19.534 ( -0.001 3.758 -0.310) 3.770 19.534 ( -0.001 3.758 0.310) 3.770 19.639 ( 0.864 2.620 -2.730) 3.881 19.639 ( 0.864 2.620 2.730) 3.881 19.955 ( -0.750 2.445 -3.545) 4.371 19.955 ( -0.750 2.445 3.545) 4.371 24.181 ( 6.347 -0.277 -0.186) 6.355 24.181 ( 6.347 -0.277 0.186) 6.355 24.742 ( -4.481 -0.154 -0.230) 4.489 24.742 ( -4.481 -0.154 0.230) 4.489 31.415 ( -0.031 -1.081 -0.794) 1.341 31.415 ( -0.031 -1.081 0.794) 1.341 31.448 ( -0.760 -0.933 -0.344) 1.251 31.448 ( -0.760 -0.933 0.344) 1.251 41.250 ( 7.410 5.557 -5.318) 10.680 41.250 ( 7.410 5.557 5.318) 10.680 41.566 ( 8.399 -2.750 -2.575) 9.205 41.566 ( 8.399 -2.750 2.575) 9.205 41.993 ( -3.374 4.401 -5.397) 7.738 41.993 ( -3.374 4.401 5.397) 7.738 43.416 ( -25.843 -4.982 -4.575) 26.713 43.416 ( -25.843 -4.982 4.575) 26.713 ======================= Grid point 339 (104/120) ======================= q-point: ( 0.38 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 4.405 4.007 -1.658) 6.181 1.224 ( 4.405 4.007 1.658) 6.181 1.356 ( 3.778 4.212 -2.994) 6.402 1.356 ( 3.778 4.212 2.994) 6.402 1.576 ( -6.785 4.814 -0.855) 8.363 1.576 ( -6.785 4.814 0.855) 8.363 1.649 ( -3.052 0.521 -1.802) 3.583 1.649 ( -3.052 0.521 1.802) 3.583 2.522 ( 0.028 4.603 -8.324) 9.512 2.522 ( 0.028 4.603 8.324) 9.512 2.693 ( 0.583 0.423 -5.013) 5.064 2.693 ( 0.583 0.423 5.013) 5.064 3.099 ( 4.015 24.334 -3.246) 24.875 3.099 ( 4.015 24.334 3.246) 24.875 3.582 ( -1.979 9.297 -7.936) 12.383 3.582 ( -1.979 9.297 7.936) 12.383 4.141 ( 7.980 -6.941 -3.946) 11.289 4.141 ( 7.980 -6.941 3.946) 11.289 4.289 ( 7.858 0.632 -8.406) 11.524 4.289 ( 7.858 0.632 8.406) 11.524 4.558 ( 0.636 4.016 -15.436) 15.963 4.558 ( 0.636 4.016 15.436) 15.963 4.755 ( -3.165 10.137 -10.340) 14.823 4.755 ( -3.165 10.137 10.340) 14.823 5.040 ( -1.006 6.937 -3.388) 7.786 5.040 ( -1.006 6.937 3.388) 7.786 5.462 ( 7.538 -6.869 -1.622) 10.326 5.462 ( 7.538 -6.869 1.622) 10.326 5.616 ( -2.632 -9.459 -7.122) 12.130 5.616 ( -2.632 -9.459 7.122) 12.130 5.914 ( -9.841 -6.435 -5.489) 12.976 5.914 ( -9.841 -6.435 5.489) 12.976 6.839 ( 1.717 -1.449 -1.362) 2.628 6.839 ( 1.717 -1.449 1.362) 2.628 7.095 ( -4.721 -1.118 -1.318) 5.028 7.095 ( -4.721 -1.118 1.318) 5.028 19.441 ( -0.968 -0.783 -0.280) 1.276 19.441 ( -0.968 -0.783 0.280) 1.276 19.535 ( 0.093 3.145 -0.333) 3.164 19.535 ( 0.093 3.145 0.333) 3.164 19.653 ( 0.528 2.358 -1.580) 2.887 19.653 ( 0.528 2.358 1.580) 2.887 19.943 ( -0.422 3.577 -2.022) 4.131 19.943 ( -0.422 3.577 2.022) 4.131 24.328 ( 7.567 -0.251 -0.214) 7.574 24.328 ( 7.567 -0.251 0.214) 7.574 24.630 ( -6.288 -0.159 -0.056) 6.290 24.630 ( -6.288 -0.159 0.056) 6.290 31.413 ( -0.093 -0.642 -0.431) 0.779 31.413 ( -0.093 -0.642 0.431) 0.779 31.437 ( -0.345 -1.251 -0.044) 1.299 31.437 ( -0.345 -1.251 0.044) 1.299 41.406 ( 7.061 5.863 -3.552) 9.841 41.406 ( 7.061 5.863 3.552) 9.841 41.721 ( 2.731 3.729 -2.608) 5.307 41.721 ( 2.731 3.729 2.608) 5.307 42.001 ( 8.418 -1.031 -8.472) 11.988 42.001 ( 8.418 -1.031 8.472) 11.988 42.862 ( -26.826 -3.668 -7.505) 28.097 42.862 ( -26.826 -3.668 7.505) 28.097 ======================= Grid point 341 (105/120) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.000 2.684 -0.000) 2.684 1.297 ( 0.000 2.684 0.000) 2.684 1.405 ( 0.000 2.201 -0.000) 2.201 1.405 ( 0.000 2.201 0.000) 2.201 1.466 ( 0.000 5.272 -0.000) 5.272 1.466 ( 0.000 5.272 0.000) 5.272 1.622 ( 0.000 2.616 -0.000) 2.616 1.622 ( 0.000 2.616 0.000) 2.616 2.523 ( 0.000 4.690 -0.000) 4.690 2.523 ( 0.000 4.690 0.000) 4.690 2.698 ( 0.000 0.393 -0.000) 0.393 2.698 ( 0.000 0.393 0.000) 0.393 3.146 ( 0.000 26.925 -0.000) 26.925 3.146 ( 0.000 26.925 0.000) 26.925 3.557 ( 0.000 8.989 -0.000) 8.989 3.557 ( 0.000 8.989 0.000) 8.989 4.223 ( 0.000 -6.620 -0.000) 6.620 4.223 ( 0.000 -6.620 0.000) 6.620 4.384 ( 0.000 -1.211 -0.000) 1.211 4.384 ( 0.000 -1.211 0.000) 1.211 4.566 ( 0.000 1.421 -0.000) 1.421 4.566 ( 0.000 1.421 0.000) 1.421 4.713 ( 0.000 12.647 -0.000) 12.647 4.713 ( 0.000 12.647 0.000) 12.647 5.031 ( 0.000 7.153 -0.000) 7.153 5.031 ( 0.000 7.153 0.000) 7.153 5.511 ( 0.000 -16.997 -0.000) 16.997 5.511 ( 0.000 -16.997 0.000) 16.997 5.673 ( 0.000 -1.538 -0.000) 1.538 5.673 ( 0.000 -1.538 0.000) 1.538 5.751 ( 0.000 -6.310 -0.000) 6.310 5.751 ( 0.000 -6.310 0.000) 6.310 6.872 ( 0.000 -0.411 -0.000) 0.411 6.872 ( 0.000 -0.411 0.000) 0.411 7.029 ( 0.000 -0.553 -0.000) 0.553 7.029 ( 0.000 -0.553 0.000) 0.553 19.430 ( 0.000 -0.845 0.000) 0.845 19.430 ( 0.000 -0.845 0.000) 0.845 19.536 ( 0.000 3.048 -0.000) 3.048 19.536 ( 0.000 3.048 0.000) 3.048 19.659 ( 0.000 2.209 -0.000) 2.209 19.659 ( 0.000 2.209 0.000) 2.209 19.939 ( 0.000 4.017 -0.000) 4.017 19.939 ( 0.000 4.017 0.000) 4.017 24.473 ( -0.000 -0.059 0.000) 0.059 24.473 ( -0.000 -0.059 0.000) 0.059 24.498 ( 0.000 -0.331 -0.000) 0.331 24.498 ( 0.000 -0.331 0.000) 0.331 31.412 ( 0.000 -0.397 -0.000) 0.397 31.412 ( 0.000 -0.397 0.000) 0.397 31.433 ( 0.000 -1.469 -0.000) 1.469 31.433 ( 0.000 -1.469 0.000) 1.469 41.498 ( 0.000 3.859 -0.000) 3.859 41.498 ( 0.000 3.859 0.000) 3.859 41.706 ( -0.000 9.880 0.000) 9.880 41.706 ( 0.000 9.880 0.000) 9.880 42.339 ( 0.000 -8.387 -0.000) 8.387 42.339 ( 0.000 -8.387 0.000) 8.387 42.354 ( -0.000 0.394 -0.000) 0.394 42.354 ( -0.000 0.394 0.000) 0.394 ======================= Grid point 351 (106/120) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 0.000 1.801 -5.523) 5.809 1.196 ( 0.000 1.801 5.523) 5.809 1.305 ( 0.000 9.414 -8.787) 12.877 1.305 ( 0.000 9.414 8.787) 12.877 1.792 ( 0.000 3.014 -0.569) 3.067 1.792 ( 0.000 3.014 0.569) 3.067 2.036 ( 0.000 0.410 -5.033) 5.050 2.036 ( 0.000 0.410 5.033) 5.050 2.433 ( 0.000 -9.945 -10.153) 14.212 2.433 ( 0.000 -9.945 10.153) 14.212 2.827 ( 0.000 14.792 -10.493) 18.135 2.827 ( 0.000 14.792 10.493) 18.135 3.155 ( 0.000 13.223 -4.749) 14.050 3.155 ( 0.000 13.223 4.749) 14.050 3.452 ( 0.000 1.058 -6.196) 6.286 3.452 ( 0.000 1.058 6.196) 6.286 3.799 ( 0.000 3.300 -2.313) 4.030 3.799 ( 0.000 3.300 2.313) 4.030 4.046 ( 0.000 5.560 -10.334) 11.735 4.046 ( 0.000 5.560 10.334) 11.735 4.547 ( 0.000 -1.689 -12.375) 12.490 4.547 ( 0.000 -1.689 12.375) 12.490 4.857 ( 0.000 -12.594 -7.695) 14.759 4.857 ( 0.000 -12.594 7.695) 14.759 5.115 ( 0.000 9.654 -5.941) 11.336 5.115 ( 0.000 9.654 5.941) 11.336 5.377 ( 0.000 8.634 -0.452) 8.646 5.377 ( 0.000 8.634 0.452) 8.646 5.668 ( 0.000 -7.389 -9.122) 11.739 5.668 ( 0.000 -7.389 9.122) 11.739 6.194 ( 0.000 -6.661 -5.985) 8.955 6.194 ( 0.000 -6.661 5.985) 8.955 6.813 ( 0.000 1.053 -1.823) 2.105 6.813 ( 0.000 1.053 1.823) 2.105 7.179 ( 0.000 -2.169 -4.483) 4.980 7.179 ( 0.000 -2.169 4.483) 4.980 19.464 ( 0.000 -1.243 -1.607) 2.032 19.464 ( 0.000 -1.243 1.607) 2.032 19.565 ( 0.000 -0.723 -4.421) 4.480 19.565 ( 0.000 -0.723 4.421) 4.480 19.753 ( 0.000 8.451 -0.983) 8.508 19.753 ( 0.000 8.451 0.983) 8.508 19.997 ( 0.000 1.061 -2.731) 2.930 19.997 ( 0.000 1.061 2.731) 2.930 24.033 ( 0.000 -0.184 -0.223) 0.289 24.033 ( 0.000 -0.184 0.223) 0.289 24.832 ( 0.000 -0.207 -0.292) 0.357 24.832 ( 0.000 -0.207 0.292) 0.357 31.389 ( 0.000 -1.220 -0.996) 1.575 31.389 ( 0.000 -1.220 0.996) 1.575 31.452 ( 0.000 -1.048 -0.744) 1.286 31.452 ( 0.000 -1.048 0.744) 1.286 41.124 ( 0.000 2.071 -4.047) 4.546 41.124 ( 0.000 2.071 4.047) 4.546 41.395 ( 0.000 1.157 -1.639) 2.006 41.395 ( 0.000 1.157 1.639) 2.006 42.078 ( 0.000 -4.405 -11.969) 12.754 42.078 ( 0.000 -4.405 11.969) 12.754 43.933 ( 0.000 -2.891 -10.723) 11.106 43.933 ( 0.000 -2.891 10.723) 11.106 ======================= Grid point 353 (107/120) ======================= q-point: ( 0.12 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 2.947 1.577 -5.598) 6.520 1.228 ( 2.947 1.577 5.598) 6.520 1.293 ( -0.939 8.143 -6.853) 10.684 1.293 ( -0.939 8.143 6.853) 10.684 1.773 ( -1.624 4.053 -1.497) 4.616 1.773 ( -1.624 4.053 1.497) 4.616 1.979 ( -5.297 1.412 -2.023) 5.843 1.979 ( -5.297 1.412 2.023) 5.843 2.440 ( 0.877 -9.460 -5.940) 11.205 2.440 ( 0.877 -9.460 5.940) 11.205 2.824 ( -0.359 13.519 -7.905) 15.665 2.824 ( -0.359 13.519 7.905) 15.665 3.208 ( 4.854 13.573 -4.038) 14.969 3.208 ( 4.854 13.573 4.038) 14.969 3.545 ( 8.306 -0.217 -5.128) 9.764 3.545 ( 8.306 -0.217 5.128) 9.764 3.816 ( 1.347 4.134 -3.117) 5.350 3.816 ( 1.347 4.134 3.117) 5.350 4.078 ( 3.206 4.551 -8.365) 10.048 4.078 ( 3.206 4.551 8.365) 10.048 4.565 ( 1.537 -1.611 -11.699) 11.909 4.565 ( 1.537 -1.611 11.699) 11.909 4.869 ( 1.273 -10.608 -8.446) 13.619 4.869 ( 1.273 -10.608 8.446) 13.619 5.113 ( -0.259 8.144 -5.000) 9.560 5.113 ( -0.259 8.144 5.000) 9.560 5.365 ( -1.063 7.395 -5.687) 9.389 5.365 ( -1.063 7.395 5.687) 9.389 5.632 ( -3.250 -6.650 -9.203) 11.810 5.632 ( -3.250 -6.650 9.203) 11.810 6.136 ( -5.439 -6.615 -5.351) 10.098 6.136 ( -5.439 -6.615 5.351) 10.098 6.805 ( -0.429 1.586 -1.875) 2.493 6.805 ( -0.429 1.586 1.875) 2.493 7.177 ( -0.465 -1.964 -3.428) 3.979 7.177 ( -0.465 -1.964 3.428) 3.979 19.460 ( -0.340 -1.031 -1.334) 1.719 19.460 ( -0.340 -1.031 1.334) 1.719 19.562 ( -0.270 -0.644 -3.848) 3.911 19.562 ( -0.270 -0.644 3.848) 3.911 19.751 ( -0.109 8.088 -0.818) 8.130 19.751 ( -0.109 8.088 0.818) 8.130 19.998 ( 0.076 1.324 -2.468) 2.802 19.998 ( 0.076 1.324 2.468) 2.802 24.071 ( 3.629 -0.204 -0.190) 3.639 24.071 ( 3.629 -0.204 0.190) 3.639 24.808 ( -2.283 -0.190 -0.262) 2.306 24.808 ( -2.283 -0.190 0.262) 2.306 31.390 ( 0.110 -1.185 -0.963) 1.531 31.390 ( 0.110 -1.185 0.963) 1.531 31.446 ( -0.584 -0.950 -0.603) 1.268 31.446 ( -0.584 -0.950 0.603) 1.268 41.189 ( 6.252 2.891 -4.070) 8.000 41.189 ( 6.252 2.891 4.070) 8.000 41.422 ( 2.693 0.423 -1.854) 3.297 41.422 ( 2.693 0.423 1.854) 3.297 42.057 ( -2.025 -4.130 -11.293) 12.194 42.057 ( -2.025 -4.130 11.293) 12.194 43.778 ( -14.545 -1.845 -9.027) 17.218 43.778 ( -14.545 -1.845 9.027) 17.218 ======================= Grid point 355 (108/120) ======================= q-point: ( 0.25 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.267 5.881 -4.122) 7.187 1.276 ( 0.267 5.881 4.122) 7.187 1.315 ( 4.613 0.933 -6.806) 8.275 1.315 ( 4.613 0.933 6.806) 8.275 1.733 ( -2.227 4.748 -1.178) 5.375 1.733 ( -2.227 4.748 1.178) 5.375 1.835 ( -8.163 3.188 -2.245) 9.047 1.835 ( -8.163 3.188 2.245) 9.047 2.476 ( 2.765 -6.793 -1.865) 7.568 2.476 ( 2.765 -6.793 1.865) 7.568 2.808 ( -1.310 10.507 -3.310) 11.094 2.808 ( -1.310 10.507 3.310) 11.094 3.338 ( 7.256 14.167 -2.475) 16.108 3.338 ( 7.256 14.167 2.475) 16.108 3.733 ( 6.960 1.522 -6.085) 9.369 3.733 ( 6.960 1.522 6.085) 9.369 3.856 ( 3.999 1.930 -2.927) 5.318 3.856 ( 3.999 1.930 2.927) 5.318 4.173 ( 5.595 1.809 -8.709) 10.508 4.173 ( 5.595 1.809 8.709) 10.508 4.591 ( 0.453 -1.307 -12.939) 13.013 4.591 ( 0.453 -1.307 12.939) 13.013 4.916 ( 3.309 -3.683 -9.550) 10.758 4.916 ( 3.309 -3.683 9.550) 10.758 5.102 ( -0.705 3.960 -4.416) 5.973 5.102 ( -0.705 3.960 4.416) 5.973 5.332 ( -2.456 1.284 -10.189) 10.559 5.332 ( -2.456 1.284 10.189) 10.559 5.557 ( -3.042 -2.975 -8.029) 9.087 5.557 ( -3.042 -2.975 8.029) 9.087 5.983 ( -8.851 -6.273 -4.916) 11.910 5.983 ( -8.851 -6.273 4.916) 11.910 6.810 ( 1.115 2.365 -1.617) 3.074 6.810 ( 1.115 2.365 1.617) 3.074 7.149 ( -2.388 -1.270 -1.379) 3.036 7.149 ( -2.388 -1.270 1.379) 3.036 19.449 ( -0.751 -0.428 -0.677) 1.098 19.449 ( -0.751 -0.428 0.677) 1.098 19.557 ( -0.141 -0.581 -2.451) 2.523 19.557 ( -0.141 -0.581 2.451) 2.523 19.749 ( -0.074 7.295 -0.398) 7.306 19.749 ( -0.074 7.295 0.398) 7.306 20.000 ( 0.143 1.858 -1.759) 2.563 20.000 ( 0.143 1.858 1.759) 2.563 24.176 ( 6.337 -0.226 -0.155) 6.343 24.176 ( 6.337 -0.226 0.155) 6.343 24.739 ( -4.459 -0.158 -0.182) 4.466 24.739 ( -4.459 -0.158 0.182) 4.466 31.393 ( 0.187 -1.073 -0.873) 1.396 31.393 ( 0.187 -1.073 0.873) 1.396 31.431 ( -0.764 -0.798 -0.359) 1.162 31.431 ( -0.764 -0.798 0.359) 1.162 41.362 ( 9.243 5.677 -4.028) 11.571 41.362 ( 9.243 5.677 4.028) 11.571 41.520 ( 7.819 -1.938 -1.997) 8.300 41.520 ( 7.819 -1.938 1.997) 8.300 41.999 ( -3.348 -3.512 -9.214) 10.413 41.999 ( -3.348 -3.512 9.214) 10.413 43.369 ( -23.974 0.076 -5.288) 24.550 43.369 ( -23.974 0.076 5.288) 24.550 ======================= Grid point 357 (109/120) ======================= q-point: ( 0.38 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 2.808 4.157 -1.514) 5.240 1.306 ( 2.808 4.157 1.514) 5.240 1.414 ( 4.305 1.760 -4.652) 6.578 1.414 ( 4.305 1.760 4.652) 6.578 1.651 ( -6.987 2.217 -3.516) 8.130 1.651 ( -6.987 2.217 3.516) 8.130 1.693 ( -3.509 4.385 -5.006) 7.523 1.693 ( -3.509 4.385 5.006) 7.523 2.553 ( 4.367 -1.140 -0.950) 4.612 2.553 ( 4.367 -1.140 0.950) 4.612 2.767 ( -2.622 6.510 -1.141) 7.111 2.767 ( -2.622 6.510 1.141) 7.111 3.491 ( 7.184 14.776 -2.919) 16.687 3.491 ( 7.184 14.776 2.919) 16.687 3.752 ( -2.703 7.332 -6.779) 10.345 3.752 ( -2.703 7.332 6.779) 10.345 4.015 ( 8.176 -3.618 -2.113) 9.188 4.015 ( 8.176 -3.618 2.113) 9.188 4.281 ( 4.058 -1.903 -8.089) 9.248 4.281 ( 4.058 -1.903 8.089) 9.248 4.584 ( -0.490 -0.971 -12.543) 12.590 4.584 ( -0.490 -0.971 12.543) 12.590 4.972 ( 0.478 8.513 -9.773) 12.969 4.972 ( 0.478 8.513 9.773) 12.969 5.105 ( 2.049 -4.093 -7.470) 8.761 5.105 ( 2.049 -4.093 7.470) 8.761 5.259 ( -4.140 -4.631 -12.341) 13.816 5.259 ( -4.140 -4.631 12.341) 13.816 5.545 ( 2.036 -0.525 -4.412) 4.888 5.545 ( 2.036 -0.525 4.412) 4.888 5.794 ( -8.962 -5.680 -4.112) 11.380 5.794 ( -8.962 -5.680 4.112) 11.380 6.851 ( 2.677 2.575 -1.027) 3.854 6.851 ( 2.677 2.575 1.027) 3.854 7.082 ( -3.756 -0.237 -0.690) 3.826 7.082 ( -3.756 -0.237 0.690) 3.826 19.433 ( -0.666 0.205 -0.196) 0.724 19.433 ( -0.666 0.205 0.196) 0.724 19.556 ( 0.028 -0.613 -1.079) 1.241 19.556 ( 0.028 -0.613 1.079) 1.241 19.748 ( -0.008 6.610 -0.134) 6.612 19.748 ( -0.008 6.610 0.134) 6.612 20.003 ( 0.121 2.278 -0.874) 2.443 20.003 ( 0.121 2.278 0.874) 2.443 24.323 ( 7.624 -0.200 -0.134) 7.628 24.323 ( 7.624 -0.200 0.134) 7.628 24.627 ( -6.313 -0.150 -0.078) 6.315 24.627 ( -6.313 -0.150 0.078) 6.315 31.398 ( 0.274 -0.886 -0.734) 1.183 31.398 ( 0.274 -0.886 0.734) 1.183 31.417 ( -0.620 -0.793 -0.383) 1.077 31.417 ( -0.620 -0.793 0.383) 1.077 41.505 ( 4.675 4.058 -2.881) 6.828 41.505 ( 4.675 4.058 2.881) 6.828 41.778 ( 14.124 2.611 -5.419) 15.352 41.778 ( 14.124 2.611 5.419) 15.352 41.946 ( 0.960 -4.884 -6.258) 7.996 41.946 ( 0.960 -4.884 6.258) 7.996 42.835 ( -26.680 0.945 -1.903) 26.765 42.835 ( -26.680 0.945 1.903) 26.765 ======================= Grid point 359 (110/120) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 0.000 3.687 -0.000) 3.687 1.360 ( 0.000 3.687 0.000) 3.687 1.456 ( 0.000 2.971 -0.000) 2.971 1.456 ( 0.000 2.971 0.000) 2.971 1.562 ( 0.000 4.316 -0.000) 4.316 1.562 ( 0.000 4.316 0.000) 4.316 1.651 ( 0.000 0.248 -0.000) 0.248 1.651 ( 0.000 0.248 0.000) 0.248 2.619 ( 0.000 4.749 -0.000) 4.749 2.619 ( 0.000 4.749 0.000) 4.749 2.722 ( 0.000 1.784 -0.000) 1.784 2.722 ( 0.000 1.784 0.000) 1.784 3.597 ( -0.000 18.647 -0.000) 18.647 3.597 ( -0.000 18.647 0.000) 18.647 3.692 ( 0.000 3.782 -0.000) 3.782 3.692 ( 0.000 3.782 0.000) 3.782 4.110 ( 0.000 -2.424 -0.000) 2.424 4.110 ( 0.000 -2.424 0.000) 2.424 4.321 ( 0.000 -4.926 -0.000) 4.926 4.321 ( 0.000 -4.926 0.000) 4.926 4.584 ( 0.000 0.098 -0.000) 0.098 4.584 ( 0.000 0.098 0.000) 0.098 4.955 ( 0.000 7.257 -0.000) 7.257 4.955 ( 0.000 7.257 0.000) 7.257 5.171 ( 0.000 -12.994 -0.000) 12.994 5.171 ( -0.000 -12.994 0.000) 12.994 5.183 ( 0.000 7.442 -0.000) 7.442 5.183 ( 0.000 7.442 0.000) 7.442 5.631 ( 0.000 -5.700 -0.000) 5.700 5.631 ( -0.000 -5.700 0.000) 5.700 5.634 ( -0.000 -2.448 -0.000) 2.448 5.634 ( 0.000 -2.448 0.000) 2.448 6.893 ( 0.000 2.448 -0.000) 2.448 6.893 ( 0.000 2.448 0.000) 2.448 7.028 ( 0.000 0.378 -0.000) 0.378 7.028 ( 0.000 0.378 0.000) 0.378 19.426 ( 0.000 0.453 -0.000) 0.453 19.426 ( 0.000 0.453 0.000) 0.453 19.557 ( 0.000 -0.631 -0.000) 0.631 19.557 ( 0.000 -0.631 0.000) 0.631 19.748 ( 0.000 6.354 -0.000) 6.354 19.748 ( 0.000 6.354 0.000) 6.354 20.004 ( 0.000 2.426 -0.000) 2.426 20.004 ( 0.000 2.426 0.000) 2.426 24.473 ( -0.000 0.037 -0.000) 0.037 24.473 ( -0.000 0.037 0.000) 0.037 24.491 ( 0.000 -0.367 -0.000) 0.367 24.491 ( 0.000 -0.367 0.000) 0.367 31.403 ( 0.000 -0.496 -0.000) 0.496 31.403 ( 0.000 -0.496 0.000) 0.496 31.407 ( -0.000 -1.123 -0.000) 1.123 31.407 ( 0.000 -1.123 0.000) 1.123 41.558 ( 0.000 2.428 -0.000) 2.428 41.558 ( 0.000 2.428 0.000) 2.428 41.851 ( 0.000 2.826 -0.000) 2.826 41.851 ( 0.000 2.826 0.000) 2.826 42.211 ( 0.000 -2.677 -0.000) 2.677 42.211 ( 0.000 -2.677 0.000) 2.677 42.370 ( -0.000 1.021 -0.000) 1.021 42.370 ( -0.000 1.021 0.000) 1.021 ======================= Grid point 369 (111/120) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.000 1.178 -3.449) 3.644 1.226 ( 0.000 1.178 3.449) 3.644 1.478 ( 0.000 7.651 -5.952) 9.694 1.478 ( 0.000 7.651 5.952) 9.694 1.842 ( 0.000 1.940 -0.657) 2.048 1.842 ( 0.000 1.940 0.657) 2.048 2.033 ( 0.000 -0.151 -3.947) 3.950 2.033 ( 0.000 -0.151 3.947) 3.950 2.245 ( 0.000 -8.756 -6.692) 11.020 2.245 ( 0.000 -8.756 6.692) 11.020 3.088 ( 0.000 11.524 -2.227) 11.737 3.088 ( 0.000 11.524 2.227) 11.737 3.384 ( 0.000 8.346 -0.074) 8.346 3.384 ( 0.000 8.346 0.074) 8.346 3.487 ( 0.000 3.036 -5.032) 5.877 3.487 ( 0.000 3.036 5.032) 5.877 3.809 ( 0.000 -1.700 -3.537) 3.925 3.809 ( 0.000 -1.700 3.537) 3.925 4.150 ( 0.000 4.766 -6.147) 7.778 4.150 ( 0.000 4.766 6.147) 7.778 4.436 ( 0.000 -8.746 -4.575) 9.870 4.436 ( 0.000 -8.746 4.575) 9.870 4.627 ( 0.000 -8.438 -4.411) 9.521 4.627 ( 0.000 -8.438 4.411) 9.521 5.287 ( 0.000 7.554 -3.778) 8.447 5.287 ( 0.000 7.554 3.778) 8.447 5.442 ( 0.000 -1.088 -0.952) 1.446 5.442 ( 0.000 -1.088 0.952) 1.446 5.584 ( 0.000 -1.885 -3.770) 4.215 5.584 ( 0.000 -1.885 3.770) 4.215 6.086 ( 0.000 -3.989 -4.179) 5.777 6.086 ( 0.000 -3.989 4.179) 5.777 6.891 ( 0.000 5.254 -1.411) 5.440 6.891 ( 0.000 5.254 1.411) 5.440 7.148 ( 0.000 -1.309 -2.886) 3.169 7.148 ( 0.000 -1.309 2.886) 3.169 19.448 ( 0.000 -0.424 -0.731) 0.845 19.448 ( 0.000 -0.424 0.731) 0.845 19.553 ( 0.000 -0.463 -2.431) 2.475 19.553 ( 0.000 -0.463 2.431) 2.475 19.889 ( 0.000 5.307 -0.542) 5.335 19.889 ( 0.000 5.307 0.542) 5.335 20.012 ( 0.000 0.387 -1.290) 1.347 20.012 ( 0.000 0.387 1.290) 1.347 24.030 ( 0.000 -0.116 -0.118) 0.165 24.030 ( 0.000 -0.116 0.118) 0.165 24.829 ( 0.000 -0.136 -0.154) 0.205 24.829 ( 0.000 -0.136 0.154) 0.205 31.370 ( 0.000 -0.715 -0.611) 0.941 31.370 ( 0.000 -0.715 0.611) 0.941 31.435 ( 0.000 -0.653 -0.395) 0.763 31.435 ( 0.000 -0.653 0.395) 0.763 41.151 ( 0.000 0.785 -1.797) 1.961 41.151 ( 0.000 0.785 1.797) 1.961 41.433 ( 0.000 2.363 -2.748) 3.624 41.433 ( 0.000 2.363 2.748) 3.624 41.960 ( 0.000 -6.273 -9.743) 11.588 41.960 ( 0.000 -6.273 9.743) 11.588 43.917 ( 0.000 0.403 -7.370) 7.381 43.917 ( 0.000 0.403 7.370) 7.381 ======================= Grid point 371 (112/120) ======================= q-point: ( 0.12 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 2.216 0.682 -3.668) 4.339 1.249 ( 2.216 0.682 3.668) 4.339 1.432 ( -3.576 5.506 -4.273) 7.833 1.432 ( -3.576 5.506 4.273) 7.833 1.857 ( 0.336 4.232 -0.851) 4.330 1.857 ( 0.336 4.232 0.851) 4.330 2.004 ( -2.868 1.854 -1.717) 3.822 2.004 ( -2.868 1.854 1.717) 3.822 2.250 ( 1.319 -9.723 -4.842) 10.942 2.250 ( 1.319 -9.723 4.842) 10.942 3.068 ( -2.169 10.872 -1.709) 11.217 3.068 ( -2.169 10.872 1.709) 11.217 3.426 ( 4.079 7.668 -3.773) 9.470 3.426 ( 4.079 7.668 3.773) 9.470 3.560 ( 6.706 1.681 -2.748) 7.440 3.560 ( 6.706 1.681 2.748) 7.440 3.834 ( 2.222 -1.674 -4.369) 5.179 3.834 ( 2.222 -1.674 4.369) 5.179 4.174 ( 2.024 5.212 -5.257) 7.674 4.174 ( 2.024 5.212 5.257) 7.674 4.459 ( 2.092 -8.394 -5.871) 10.455 4.459 ( 2.092 -8.394 5.871) 10.455 4.662 ( 3.389 -7.798 -3.758) 9.296 4.662 ( 3.389 -7.798 3.758) 9.296 5.275 ( -1.205 7.334 -3.875) 8.382 5.275 ( -1.205 7.334 3.875) 8.382 5.406 ( -3.504 -1.663 -6.559) 7.620 5.406 ( -3.504 -1.663 6.559) 7.620 5.571 ( -0.979 -1.061 -2.986) 3.317 5.571 ( -0.979 -1.061 2.986) 3.317 6.030 ( -5.189 -3.874 -3.707) 7.462 6.030 ( -5.189 -3.874 3.707) 7.462 6.887 ( -0.221 5.244 -1.653) 5.502 6.887 ( -0.221 5.244 1.653) 5.502 7.147 ( -0.231 -1.285 -2.436) 2.764 7.147 ( -0.231 -1.285 2.436) 2.764 19.450 ( 0.104 -0.198 -0.744) 0.776 19.450 ( 0.104 -0.198 0.744) 0.777 19.548 ( -0.414 -0.602 -2.312) 2.424 19.548 ( -0.414 -0.602 2.312) 2.424 19.887 ( -0.216 5.524 -0.596) 5.560 19.887 ( -0.216 5.524 0.596) 5.560 20.014 ( 0.136 0.183 -1.009) 1.035 20.014 ( 0.136 0.183 1.009) 1.035 24.068 ( 3.611 -0.121 -0.109) 3.615 24.068 ( 3.611 -0.121 0.109) 3.615 24.805 ( -2.258 -0.124 -0.140) 2.265 24.805 ( -2.258 -0.124 0.140) 2.265 31.371 ( 0.168 -0.691 -0.598) 0.929 31.371 ( 0.168 -0.691 0.598) 0.929 31.430 ( -0.450 -0.593 -0.325) 0.812 31.430 ( -0.450 -0.593 0.325) 0.812 41.226 ( 7.328 1.002 -1.705) 7.591 41.226 ( 7.328 1.002 1.705) 7.591 41.451 ( 1.762 2.215 -2.857) 4.021 41.451 ( 1.762 2.215 2.857) 4.021 41.944 ( -1.608 -6.116 -9.368) 11.303 41.944 ( -1.608 -6.116 9.368) 11.303 43.776 ( -13.308 0.861 -6.600) 14.880 43.776 ( -13.308 0.861 6.600) 14.880 ======================= Grid point 373 (113/120) ======================= q-point: ( 0.25 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 4.029 -0.254 -3.276) 5.199 1.316 ( 4.029 -0.254 3.276) 5.199 1.372 ( -1.239 3.542 -2.394) 4.451 1.372 ( -1.239 3.542 2.394) 4.451 1.816 ( -4.419 3.175 -2.086) 5.828 1.816 ( -4.419 3.175 2.086) 5.828 1.910 ( -6.211 4.322 -1.175) 7.658 1.910 ( -6.211 4.322 1.175) 7.658 2.337 ( 7.189 -6.724 -2.672) 10.200 2.337 ( 7.189 -6.724 2.672) 10.200 2.999 ( -4.351 8.315 -1.667) 9.532 2.999 ( -4.351 8.315 1.667) 9.532 3.537 ( 6.026 6.341 -5.129) 10.140 3.537 ( 6.026 6.341 5.129) 10.140 3.725 ( 7.773 -0.949 -3.526) 8.588 3.725 ( 7.773 -0.949 3.526) 8.588 3.902 ( 4.947 0.596 -4.858) 6.959 3.902 ( 4.947 0.596 4.858) 6.959 4.219 ( 2.095 4.312 -5.541) 7.327 4.219 ( 2.095 4.312 5.541) 7.327 4.502 ( 1.398 -7.322 -7.623) 10.662 4.502 ( 1.398 -7.322 7.623) 10.662 4.768 ( 6.491 -6.499 -2.473) 9.512 4.768 ( 6.491 -6.499 2.473) 9.512 5.229 ( -3.779 4.302 -6.373) 8.567 5.229 ( -3.779 4.302 6.373) 8.567 5.318 ( -3.576 0.678 -11.418) 11.984 5.318 ( -3.576 0.678 11.418) 11.984 5.553 ( -0.629 -0.117 -1.488) 1.620 5.553 ( -0.629 -0.117 1.488) 1.620 5.886 ( -8.322 -3.386 -3.082) 9.498 5.886 ( -8.322 -3.386 3.082) 9.498 6.890 ( 0.741 4.721 -1.533) 5.019 6.890 ( 0.741 4.721 1.533) 5.019 7.129 ( -1.686 -0.932 -1.429) 2.398 7.129 ( -1.686 -0.932 1.429) 2.398 19.451 ( -0.003 0.492 -0.695) 0.852 19.451 ( -0.003 0.492 0.695) 0.852 19.538 ( -0.453 -1.064 -1.887) 2.213 19.538 ( -0.453 -1.064 1.887) 2.213 19.882 ( -0.260 5.925 -0.634) 5.964 19.882 ( -0.260 5.925 0.634) 5.964 20.017 ( 0.199 -0.228 -0.499) 0.583 20.017 ( 0.199 -0.228 0.499) 0.583 24.173 ( 6.340 -0.124 -0.095) 6.342 24.173 ( 6.340 -0.124 0.095) 6.342 24.736 ( -4.435 -0.101 -0.102) 4.438 24.736 ( -4.435 -0.101 0.102) 4.438 31.376 ( 0.296 -0.622 -0.560) 0.888 31.376 ( 0.296 -0.622 0.560) 0.888 31.418 ( -0.659 -0.483 -0.215) 0.845 31.418 ( -0.659 -0.483 0.215) 0.845 41.449 ( 13.542 2.194 -1.835) 13.841 41.449 ( 13.542 2.194 1.835) 13.841 41.505 ( 4.041 1.298 -2.712) 5.037 41.505 ( 4.041 1.298 2.712) 5.037 41.897 ( -2.833 -5.758 -8.283) 10.478 41.897 ( -2.833 -5.758 8.283) 10.478 43.395 ( -22.834 1.745 -4.766) 23.392 43.395 ( -22.834 1.745 4.766) 23.392 ======================= Grid point 375 (114/120) ======================= q-point: ( 0.38 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 2.864 2.826 -4.116) 5.756 1.375 ( 2.864 2.826 4.116) 5.756 1.432 ( 5.530 0.198 -6.294) 8.381 1.432 ( 5.530 0.198 6.294) 8.381 1.694 ( -6.663 2.289 -4.296) 8.252 1.694 ( -6.663 2.289 4.296) 8.252 1.764 ( -7.388 2.241 -6.106) 9.843 1.764 ( -7.388 2.241 6.106) 9.843 2.521 ( 9.896 -1.509 -2.149) 10.238 2.521 ( 9.895 -1.509 2.149) 10.238 2.888 ( -6.488 5.044 -1.921) 8.440 2.888 ( -6.488 5.044 1.921) 8.440 3.653 ( 4.852 3.623 -4.977) 7.838 3.653 ( 4.852 3.623 4.977) 7.838 3.821 ( 1.568 -0.641 -6.177) 6.405 3.821 ( 1.568 -0.641 6.177) 6.405 4.056 ( 8.669 5.683 -4.406) 11.263 4.056 ( 8.669 5.683 4.405) 11.263 4.254 ( 1.048 1.385 -5.781) 6.036 4.254 ( 1.048 1.385 5.781) 6.036 4.516 ( 0.911 -6.355 -6.829) 9.373 4.516 ( 0.911 -6.355 6.829) 9.373 4.841 ( -2.661 -9.509 -2.142) 10.104 4.841 ( -2.661 -9.509 2.142) 10.104 5.182 ( 2.706 3.330 -1.603) 4.581 5.182 ( 2.706 3.330 1.603) 4.581 5.287 ( -0.076 5.444 -6.837) 8.740 5.287 ( -0.076 5.444 6.837) 8.740 5.545 ( -0.235 -0.593 -1.708) 1.823 5.545 ( -0.235 -0.593 1.708) 1.823 5.704 ( -8.869 -3.195 -2.483) 9.748 5.704 ( -8.869 -3.195 2.483) 9.748 6.920 ( 2.059 3.771 -0.933) 4.397 6.920 ( 2.059 3.771 0.933) 4.397 7.079 ( -2.948 -0.265 -0.887) 3.090 7.079 ( -2.948 -0.265 0.887) 3.090 19.449 ( -0.131 1.349 -0.425) 1.420 19.449 ( -0.131 1.349 0.425) 1.420 19.531 ( -0.202 -1.672 -1.063) 1.992 19.531 ( -0.202 -1.672 1.063) 1.992 19.877 ( -0.154 6.191 -0.439) 6.208 19.877 ( -0.154 6.191 0.439) 6.208 20.021 ( 0.145 -0.550 -0.199) 0.603 20.021 ( 0.145 -0.550 0.199) 0.603 24.320 ( 7.664 -0.107 -0.078) 7.665 24.320 ( 7.664 -0.107 0.078) 7.665 24.624 ( -6.323 -0.091 -0.058) 6.324 24.624 ( -6.323 -0.091 0.058) 6.324 31.383 ( 0.397 -0.531 -0.494) 0.827 31.383 ( 0.397 -0.531 0.494) 0.827 31.405 ( -0.629 -0.428 -0.269) 0.806 31.405 ( -0.629 -0.428 0.269) 0.806 41.565 ( 3.150 2.415 -3.149) 5.066 41.565 ( 3.150 2.415 3.149) 5.066 41.821 ( 15.077 -0.913 -4.546) 15.774 41.821 ( 15.077 -0.913 4.546) 15.774 41.837 ( 2.896 -2.831 -10.994) 11.717 41.837 ( 2.896 -2.831 10.994) 11.717 42.873 ( -26.736 2.152 -2.801) 26.968 42.873 ( -26.736 2.152 2.801) 26.968 ======================= Grid point 377 (115/120) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 0.000 3.963 -0.000) 3.963 1.435 ( 0.000 3.963 0.000) 3.963 1.508 ( 0.000 1.808 -0.000) 1.808 1.508 ( 0.000 1.808 0.000) 1.808 1.622 ( 0.000 1.723 -0.000) 1.723 1.622 ( 0.000 1.723 0.000) 1.723 1.639 ( 0.000 -0.984 -0.000) 0.984 1.639 ( -0.000 -0.984 0.000) 0.984 2.698 ( -0.000 3.280 -0.000) 3.280 2.698 ( 0.000 3.280 0.000) 3.280 2.750 ( -0.000 0.753 -0.000) 0.753 2.750 ( -0.000 0.753 0.000) 0.753 3.714 ( 0.000 0.647 -0.000) 0.647 3.714 ( -0.000 0.647 0.000) 0.647 3.825 ( 0.000 3.373 -0.000) 3.373 3.825 ( 0.000 3.373 0.000) 3.373 4.172 ( -0.000 7.246 -0.000) 7.246 4.172 ( 0.000 7.246 0.000) 7.246 4.252 ( 0.000 0.221 0.000) 0.221 4.252 ( 0.000 0.221 0.000) 0.221 4.557 ( 0.000 -2.839 -0.000) 2.839 4.557 ( 0.000 -2.839 0.000) 2.839 4.747 ( 0.000 -15.617 -0.000) 15.617 4.747 ( 0.000 -15.617 0.000) 15.617 5.254 ( 0.000 8.473 -0.000) 8.473 5.254 ( 0.000 8.473 0.000) 8.473 5.300 ( -0.000 4.482 -0.000) 4.482 5.300 ( 0.000 4.482 0.000) 4.482 5.543 ( 0.000 -3.078 -0.000) 3.078 5.543 ( 0.000 -3.078 0.000) 3.078 5.579 ( 0.000 -3.113 -0.000) 3.113 5.579 ( 0.000 -3.113 0.000) 3.113 6.955 ( -0.000 3.517 -0.000) 3.517 6.955 ( 0.000 3.517 0.000) 3.517 7.034 ( 0.000 -0.127 -0.000) 0.127 7.034 ( 0.000 -0.127 0.000) 0.127 19.447 ( 0.000 1.721 0.000) 1.721 19.447 ( 0.000 1.721 0.000) 1.721 19.530 ( 0.000 -1.937 -0.000) 1.937 19.530 ( 0.000 -1.937 0.000) 1.937 19.876 ( 0.000 6.270 -0.000) 6.270 19.876 ( 0.000 6.270 0.000) 6.270 20.023 ( 0.000 -0.663 -0.000) 0.663 20.023 ( 0.000 -0.663 0.000) 0.663 24.474 ( -0.000 0.153 0.000) 0.153 24.474 ( -0.000 0.153 0.000) 0.153 24.484 ( 0.000 -0.338 -0.000) 0.338 24.484 ( 0.000 -0.338 0.000) 0.338 31.392 ( 0.000 -0.475 -0.000) 0.475 31.392 ( 0.000 -0.475 0.000) 0.475 31.394 ( -0.000 -0.432 -0.000) 0.432 31.394 ( -0.000 -0.432 0.000) 0.432 41.605 ( 0.000 2.816 0.000) 2.816 41.605 ( 0.000 2.816 0.000) 2.816 41.795 ( 0.000 -6.170 -0.000) 6.170 41.795 ( 0.000 -6.170 0.000) 6.170 42.256 ( 0.000 5.104 0.000) 5.104 42.256 ( 0.000 5.104 0.000) 5.104 42.380 ( -0.000 -0.417 -0.000) 0.417 42.380 ( -0.000 -0.417 0.000) 0.417 ======================= Grid point 387 (116/120) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 0.000 0.000) 0.000 1.238 ( 0.000 0.000 0.000) 0.000 1.562 ( 0.000 0.000 -0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.863 ( 0.000 0.000 0.000) 0.000 1.863 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 -0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 -0.000 -0.000) 0.000 3.530 ( 0.000 -0.000 0.000) 0.000 3.795 ( 0.000 0.000 -0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 -0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.550 ( 0.000 0.000 -0.000) 0.000 4.550 ( 0.000 0.000 0.000) 0.000 5.383 ( 0.000 -0.000 0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.407 ( 0.000 -0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 -0.000) 0.000 5.562 ( 0.000 -0.000 -0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.047 ( 0.000 0.000 -0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 7.130 ( 0.000 -0.000 -0.000) 0.000 7.130 ( 0.000 0.000 0.000) 0.000 19.445 ( 0.000 0.000 0.000) 0.000 19.445 ( 0.000 0.000 0.000) 0.000 19.548 ( 0.000 0.000 0.000) 0.000 19.548 ( 0.000 0.000 0.000) 0.000 19.945 ( 0.000 0.000 0.000) 0.000 19.945 ( 0.000 0.000 0.000) 0.000 20.013 ( 0.000 0.000 0.000) 0.000 20.013 ( 0.000 0.000 0.000) 0.000 24.029 ( 0.000 0.000 0.000) 0.000 24.029 ( 0.000 0.000 0.000) 0.000 24.827 ( 0.000 0.000 0.000) 0.000 24.827 ( 0.000 0.000 0.000) 0.000 31.363 ( 0.000 0.000 0.000) 0.000 31.363 ( 0.000 0.000 0.000) 0.000 31.429 ( 0.000 0.000 0.000) 0.000 31.429 ( 0.000 0.000 0.000) 0.000 41.158 ( 0.000 0.000 0.000) 0.000 41.158 ( 0.000 0.000 0.000) 0.000 41.462 ( 0.000 0.000 -0.000) 0.000 41.462 ( 0.000 0.000 0.000) 0.000 41.890 ( 0.000 0.000 -0.000) 0.000 41.890 ( 0.000 0.000 0.000) 0.000 43.924 ( 0.000 0.000 0.000) 0.000 43.924 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 391 (117/120) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 1.738 0.000 0.000) 1.738 1.256 ( 1.738 0.000 0.000) 1.738 1.488 ( -5.175 0.000 0.000) 5.175 1.488 ( -5.175 0.000 0.000) 5.175 1.907 ( 0.565 -0.000 -0.000) 0.565 1.907 ( 0.565 -0.000 0.000) 0.565 2.072 ( 5.414 -0.000 -0.000) 5.414 2.072 ( 5.414 -0.000 0.000) 5.414 2.095 ( -4.483 0.000 -0.000) 4.483 2.095 ( -4.483 0.000 0.000) 4.483 3.192 ( -3.268 0.000 0.000) 3.268 3.192 ( -3.268 0.000 0.000) 3.268 3.503 ( 4.781 0.000 -0.000) 4.781 3.503 ( 4.781 0.000 0.000) 4.781 3.561 ( 3.952 0.000 -0.000) 3.952 3.561 ( 3.952 -0.000 0.000) 3.952 3.822 ( 2.455 0.000 -0.000) 2.455 3.822 ( 2.455 0.000 0.000) 2.455 4.249 ( 3.905 0.000 -0.000) 3.905 4.249 ( 3.905 -0.000 0.000) 3.905 4.335 ( 1.455 0.000 -0.000) 1.455 4.335 ( 1.455 0.000 0.000) 1.455 4.589 ( 3.911 0.000 -0.000) 3.911 4.589 ( 3.911 0.000 0.000) 3.911 5.362 ( -4.345 -0.000 -0.000) 4.345 5.362 ( -4.345 -0.000 0.000) 4.345 5.376 ( -0.584 0.000 -0.000) 0.584 5.376 ( -0.584 0.000 0.000) 0.584 5.554 ( -0.669 0.000 -0.000) 0.669 5.554 ( -0.669 -0.000 -0.000) 0.669 5.993 ( -5.018 0.000 -0.000) 5.018 5.993 ( -5.018 0.000 0.000) 5.018 6.950 ( -0.371 0.000 0.000) 0.371 6.950 ( -0.371 0.000 0.000) 0.371 7.130 ( -0.151 0.000 -0.000) 0.151 7.130 ( -0.151 0.000 0.000) 0.151 19.448 ( 0.360 0.000 0.000) 0.360 19.448 ( 0.360 0.000 0.000) 0.360 19.542 ( -0.595 0.000 -0.000) 0.595 19.542 ( -0.595 0.000 0.000) 0.595 19.948 ( 0.298 0.000 0.000) 0.298 19.948 ( 0.298 0.000 0.000) 0.298 20.009 ( -0.366 -0.000 -0.000) 0.366 20.009 ( -0.366 -0.000 0.000) 0.366 24.067 ( 3.608 0.000 0.000) 3.608 24.067 ( 3.608 0.000 0.000) 3.608 24.804 ( -2.247 0.000 -0.000) 2.247 24.804 ( -2.247 0.000 0.000) 2.247 31.365 ( 0.192 0.000 0.000) 0.192 31.365 ( 0.192 0.000 0.000) 0.192 31.424 ( -0.399 0.000 -0.000) 0.399 31.424 ( -0.399 -0.000 0.000) 0.399 41.235 ( 7.455 0.000 0.000) 7.455 41.235 ( 7.455 0.000 0.000) 7.455 41.480 ( 1.743 0.000 0.000) 1.743 41.480 ( 1.743 0.000 0.000) 1.743 41.874 ( -1.500 0.000 -0.000) 1.500 41.874 ( -1.500 0.000 0.000) 1.500 43.788 ( -12.935 0.000 0.000) 12.935 43.788 ( -12.935 0.000 0.000) 12.935 ======================= Grid point 395 (118/120) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 3.785 0.000 -0.000) 3.785 1.312 ( 3.785 0.000 0.000) 3.785 1.407 ( -1.806 0.000 0.000) 1.806 1.407 ( -1.807 0.000 0.000) 1.807 1.848 ( -5.101 -0.000 -0.000) 5.101 1.848 ( -5.101 -0.000 0.000) 5.101 1.963 ( -7.982 -0.000 -0.000) 7.982 1.963 ( -7.982 -0.000 0.000) 7.982 2.259 ( 11.311 0.000 -0.000) 11.311 2.259 ( 11.311 0.000 0.000) 11.311 3.089 ( -6.251 0.000 0.000) 6.251 3.089 ( -6.251 0.000 0.000) 6.251 3.613 ( 5.296 -0.000 -0.000) 5.296 3.613 ( 5.296 -0.000 0.000) 5.296 3.680 ( 5.962 0.000 -0.000) 5.962 3.680 ( 5.962 0.000 0.000) 5.962 3.913 ( 7.360 0.000 -0.000) 7.360 3.913 ( 7.360 0.000 0.000) 7.360 4.328 ( 3.064 0.000 -0.000) 3.064 4.328 ( 3.064 -0.000 0.000) 3.064 4.360 ( 0.448 -0.000 -0.000) 0.448 4.360 ( 0.448 0.000 0.000) 0.448 4.708 ( 6.701 0.000 -0.000) 6.701 4.708 ( 6.701 0.000 0.000) 6.701 5.240 ( -6.508 0.000 -0.000) 6.508 5.240 ( -6.508 0.000 0.000) 6.508 5.367 ( -0.079 0.000 -0.000) 0.079 5.367 ( -0.079 0.000 0.000) 0.079 5.538 ( -0.913 -0.000 -0.000) 0.913 5.538 ( -0.913 0.000 -0.000) 0.913 5.855 ( -7.944 0.000 0.000) 7.944 5.855 ( -7.944 0.000 0.000) 7.944 6.946 ( 0.207 0.000 -0.000) 0.207 6.946 ( 0.207 0.000 0.000) 0.207 7.116 ( -1.363 0.000 -0.000) 1.363 7.116 ( -1.363 0.000 0.000) 1.363 19.458 ( 0.587 0.000 0.000) 0.587 19.458 ( 0.587 0.000 0.000) 0.587 19.525 ( -0.923 0.000 -0.000) 0.923 19.525 ( -0.923 0.000 0.000) 0.923 19.956 ( 0.471 0.000 -0.000) 0.471 19.956 ( 0.471 0.000 0.000) 0.471 19.999 ( -0.543 -0.000 0.000) 0.543 19.999 ( -0.543 -0.000 0.000) 0.543 24.172 ( 6.343 0.000 0.000) 6.343 24.172 ( 6.343 0.000 0.000) 6.343 24.735 ( -4.425 0.000 -0.000) 4.425 24.735 ( -4.425 0.000 0.000) 4.425 31.370 ( 0.340 0.000 0.000) 0.340 31.370 ( 0.340 0.000 0.000) 0.340 31.414 ( -0.613 0.000 0.000) 0.613 31.414 ( -0.613 0.000 0.000) 0.613 41.459 ( 13.257 0.000 -0.000) 13.257 41.459 ( 13.257 0.000 0.000) 13.257 41.537 ( 4.677 0.000 -0.000) 4.677 41.537 ( 4.677 0.000 0.000) 4.677 41.829 ( -2.796 0.000 -0.000) 2.796 41.829 ( -2.796 0.000 0.000) 2.796 43.414 ( -22.475 0.000 0.000) 22.475 43.414 ( -22.475 0.000 0.000) 22.475 ======================= Grid point 399 (119/120) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 5.462 0.000 -0.000) 5.462 1.409 ( 5.462 -0.000 0.000) 5.462 1.427 ( 3.551 0.000 -0.000) 3.551 1.427 ( 3.551 0.000 0.000) 3.551 1.723 ( -6.534 0.000 -0.000) 6.534 1.723 ( -6.534 0.000 0.000) 6.534 1.780 ( -9.233 -0.000 -0.000) 9.233 1.780 ( -9.233 -0.000 0.000) 9.233 2.506 ( 12.116 0.000 -0.000) 12.116 2.506 ( 12.116 0.000 0.000) 12.116 2.940 ( -8.305 0.000 0.000) 8.305 2.940 ( -8.305 0.000 0.000) 8.305 3.711 ( 4.103 -0.000 -0.000) 4.103 3.711 ( 4.103 0.000 0.000) 4.103 3.764 ( 2.224 0.000 -0.000) 2.224 3.764 ( 2.224 0.000 0.000) 2.224 4.128 ( 11.802 -0.000 -0.000) 11.802 4.128 ( 11.802 0.000 0.000) 11.802 4.345 ( -1.786 -0.000 -0.000) 1.786 4.345 ( -1.786 -0.000 0.000) 1.786 4.377 ( 2.751 0.000 -0.000) 2.751 4.377 ( 2.751 0.000 0.000) 2.751 4.748 ( -5.879 0.000 -0.000) 5.879 4.748 ( -5.879 0.000 0.000) 5.879 5.197 ( 4.828 0.000 -0.000) 4.828 5.197 ( 4.828 0.000 0.000) 4.828 5.374 ( 0.568 0.000 0.000) 0.568 5.374 ( 0.568 0.000 0.000) 0.568 5.517 ( -0.935 -0.000 -0.000) 0.935 5.517 ( -0.935 0.000 0.000) 0.935 5.678 ( -8.967 0.000 0.000) 8.967 5.678 ( -8.967 0.000 0.000) 8.967 6.964 ( 1.662 0.000 -0.000) 1.662 6.964 ( 1.662 0.000 0.000) 1.662 7.073 ( -2.717 0.000 -0.000) 2.717 7.073 ( -2.717 0.000 0.000) 2.717 19.472 ( 0.703 -0.000 0.000) 0.703 19.472 ( 0.703 0.000 0.000) 0.703 19.506 ( -0.946 0.000 -0.000) 0.946 19.506 ( -0.946 0.000 0.000) 0.946 19.967 ( 0.513 -0.000 -0.000) 0.513 19.967 ( 0.513 0.000 0.000) 0.513 19.988 ( -0.544 -0.000 0.000) 0.544 19.988 ( -0.544 0.000 -0.000) 0.544 24.319 ( 7.677 0.000 0.000) 7.677 24.319 ( 7.677 0.000 0.000) 7.677 24.623 ( -6.325 0.000 -0.000) 6.325 24.623 ( -6.325 0.000 0.000) 6.325 31.378 ( 0.445 0.000 0.000) 0.445 31.378 ( 0.445 0.000 0.000) 0.445 31.401 ( -0.625 -0.000 0.000) 0.625 31.401 ( -0.625 0.000 0.000) 0.625 41.595 ( 4.049 0.000 0.000) 4.049 41.595 ( 4.049 0.000 0.000) 4.049 41.761 ( -3.706 -0.000 -0.000) 3.706 41.761 ( -3.706 0.000 0.000) 3.706 41.851 ( 21.312 0.000 -0.000) 21.312 41.851 ( 21.312 0.000 0.000) 21.312 42.897 ( -26.795 0.000 0.000) 26.795 42.897 ( -26.795 0.000 0.000) 26.795 ======================= Grid point 403 (120/120) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -0.034 -2.422 -0.000) 2.422 1.502 ( -0.034 -2.422 0.000) 2.422 1.502 ( 0.034 2.422 -0.000) 2.422 1.502 ( 0.034 2.422 0.000) 2.422 1.632 ( -1.625 -0.047 -0.000) 1.625 1.632 ( -1.625 -0.047 0.000) 1.625 1.632 ( 1.625 0.047 -0.000) 1.625 1.632 ( 1.625 0.047 0.000) 1.625 2.744 ( -10.317 -0.367 0.000) 10.323 2.744 ( -10.317 -0.367 0.000) 10.323 2.744 ( 10.317 0.367 0.000) 10.323 2.744 ( 10.317 0.367 0.000) 10.323 3.772 ( -0.217 -5.052 0.000) 5.057 3.772 ( -0.217 -5.052 0.000) 5.057 3.772 ( 0.217 5.052 0.000) 5.057 3.772 ( 0.217 5.052 0.000) 5.057 4.292 ( -3.022 -0.755 -0.000) 3.115 4.292 ( -3.022 -0.755 0.000) 3.115 4.292 ( 3.022 0.755 0.000) 3.115 4.292 ( 3.022 0.755 0.000) 3.115 4.530 ( -9.934 -2.301 -0.000) 10.197 4.530 ( -9.934 -2.301 0.000) 10.197 4.530 ( 9.934 2.301 -0.000) 10.197 4.530 ( 9.934 2.301 0.000) 10.197 5.345 ( -5.328 -0.113 -0.000) 5.329 5.345 ( -5.328 -0.113 0.000) 5.329 5.345 ( 5.328 0.113 -0.000) 5.329 5.345 ( 5.328 0.113 0.000) 5.329 5.527 ( -2.706 -1.031 -0.000) 2.895 5.527 ( -2.706 -1.032 0.000) 2.895 5.527 ( 2.706 1.032 -0.000) 2.895 5.527 ( 2.706 1.031 0.000) 2.896 7.013 ( -1.585 -1.801 -0.000) 2.399 7.013 ( -1.585 -1.801 0.000) 2.399 7.013 ( 1.585 1.801 0.000) 2.399 7.013 ( 1.585 1.801 0.000) 2.399 19.487 ( -0.147 -2.228 0.000) 2.233 19.487 ( -0.147 -2.228 0.000) 2.233 19.487 ( 0.147 2.228 0.000) 2.233 19.487 ( 0.147 2.228 0.000) 2.233 19.977 ( -0.033 -3.961 0.000) 3.961 19.977 ( -0.033 -3.961 0.000) 3.961 19.977 ( 0.033 3.961 0.000) 3.961 19.977 ( 0.033 3.961 0.000) 3.961 24.478 ( -7.546 -0.018 -0.000) 7.546 24.478 ( -7.546 -0.018 0.000) 7.546 24.478 ( 7.546 0.018 -0.000) 7.546 24.478 ( 7.546 0.018 0.000) 7.546 31.388 ( -0.504 -0.039 -0.000) 0.505 31.388 ( -0.504 -0.039 0.000) 0.505 31.388 ( 0.504 0.039 -0.000) 0.505 31.388 ( 0.504 0.039 0.000) 0.505 41.680 ( -1.535 -4.723 -0.000) 4.966 41.680 ( -1.535 -4.723 0.000) 4.966 41.680 ( 1.535 4.723 0.000) 4.966 41.680 ( 1.535 4.723 0.000) 4.966 42.344 ( -25.176 -0.835 0.000) 25.190 42.344 ( -25.176 -0.835 0.000) 25.190 42.344 ( 25.176 0.835 -0.000) 25.190 42.344 ( 25.176 0.835 0.000) 25.190 =================== 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 3/28800 10.0 128.037 136.773 114.344 0.000 0.000 -0.000 3/28800 20.0 24.271 28.250 23.597 0.000 0.000 0.000 3/28800 30.0 9.800 11.508 9.758 0.000 0.000 0.000 3/28800 40.0 5.484 6.584 5.632 0.000 0.000 0.000 3/28800 50.0 3.670 4.513 3.881 0.000 0.000 0.000 3/28800 60.0 2.733 3.431 2.961 0.000 0.000 0.000 3/28800 70.0 2.178 2.778 2.404 0.000 0.000 0.000 3/28800 80.0 1.814 2.342 2.032 0.000 0.000 0.000 3/28800 90.0 1.558 2.032 1.766 0.000 0.000 0.000 3/28800 100.0 1.368 1.800 1.565 0.000 0.000 0.000 3/28800 110.0 1.222 1.619 1.409 0.000 0.000 0.000 3/28800 120.0 1.106 1.476 1.284 0.000 0.000 0.000 3/28800 130.0 1.012 1.359 1.182 0.000 0.000 0.000 3/28800 140.0 0.933 1.263 1.097 0.000 0.000 0.000 3/28800 150.0 0.867 1.183 1.025 0.000 0.000 0.000 3/28800 160.0 0.811 1.114 0.964 0.000 0.000 0.000 3/28800 170.0 0.763 1.056 0.911 0.000 0.000 0.000 3/28800 180.0 0.721 1.005 0.865 0.000 0.000 0.000 3/28800 190.0 0.684 0.960 0.825 0.000 0.000 0.000 3/28800 200.0 0.652 0.920 0.789 0.000 0.000 0.000 3/28800 210.0 0.623 0.885 0.757 0.000 0.000 0.000 3/28800 220.0 0.597 0.853 0.728 0.000 0.000 0.000 3/28800 230.0 0.574 0.824 0.702 0.000 0.000 0.000 3/28800 240.0 0.553 0.798 0.678 0.000 0.000 0.000 3/28800 250.0 0.534 0.773 0.656 0.000 0.000 0.000 3/28800 260.0 0.517 0.751 0.636 0.000 0.000 0.000 3/28800 270.0 0.502 0.730 0.617 0.000 0.000 0.000 3/28800 280.0 0.487 0.710 0.600 0.000 0.000 0.000 3/28800 290.0 0.474 0.692 0.584 0.000 0.000 0.000 3/28800 300.0 0.462 0.675 0.568 0.000 0.000 0.000 3/28800 310.0 0.451 0.659 0.554 0.000 0.000 0.000 3/28800 320.0 0.440 0.643 0.541 0.000 0.000 0.000 3/28800 330.0 0.431 0.629 0.528 0.000 0.000 0.000 3/28800 340.0 0.421 0.615 0.516 0.000 0.000 0.000 3/28800 350.0 0.413 0.602 0.504 0.000 0.000 0.000 3/28800 360.0 0.405 0.589 0.494 0.000 0.000 0.000 3/28800 370.0 0.397 0.577 0.483 0.000 0.000 0.000 3/28800 380.0 0.390 0.566 0.473 0.000 0.000 0.000 3/28800 390.0 0.383 0.555 0.464 0.000 0.000 0.000 3/28800 400.0 0.376 0.544 0.455 0.000 0.000 0.000 3/28800 410.0 0.370 0.534 0.446 0.000 0.000 0.000 3/28800 420.0 0.364 0.524 0.438 0.000 0.000 0.000 3/28800 430.0 0.359 0.515 0.430 0.000 0.000 0.000 3/28800 440.0 0.353 0.506 0.422 0.000 0.000 0.000 3/28800 450.0 0.348 0.497 0.415 0.000 0.000 0.000 3/28800 460.0 0.343 0.489 0.408 0.000 0.000 0.000 3/28800 470.0 0.338 0.481 0.401 0.000 0.000 0.000 3/28800 480.0 0.333 0.473 0.394 0.000 0.000 0.000 3/28800 490.0 0.329 0.466 0.388 0.000 0.000 0.000 3/28800 500.0 0.324 0.458 0.382 0.000 0.000 0.000 3/28800 510.0 0.320 0.451 0.376 0.000 0.000 0.000 3/28800 520.0 0.316 0.444 0.370 0.000 0.000 0.000 3/28800 530.0 0.312 0.438 0.364 0.000 0.000 0.000 3/28800 540.0 0.308 0.431 0.359 0.000 0.000 0.000 3/28800 550.0 0.304 0.425 0.353 0.000 0.000 0.000 3/28800 560.0 0.301 0.419 0.348 0.000 0.000 0.000 3/28800 570.0 0.297 0.413 0.343 0.000 0.000 0.000 3/28800 580.0 0.294 0.407 0.338 0.000 0.000 0.000 3/28800 590.0 0.290 0.402 0.334 0.000 0.000 0.000 3/28800 600.0 0.287 0.396 0.329 0.000 0.000 0.000 3/28800 610.0 0.284 0.391 0.325 0.000 0.000 0.000 3/28800 620.0 0.280 0.386 0.320 0.000 0.000 0.000 3/28800 630.0 0.277 0.381 0.316 0.000 0.000 0.000 3/28800 640.0 0.274 0.376 0.312 0.000 0.000 0.000 3/28800 650.0 0.271 0.371 0.308 0.000 0.000 0.000 3/28800 660.0 0.268 0.366 0.304 0.000 0.000 0.000 3/28800 670.0 0.266 0.362 0.300 0.000 0.000 0.000 3/28800 680.0 0.263 0.358 0.297 0.000 0.000 0.000 3/28800 690.0 0.260 0.353 0.293 0.000 0.000 0.000 3/28800 700.0 0.257 0.349 0.290 0.000 0.000 0.000 3/28800 710.0 0.255 0.345 0.286 0.000 0.000 0.000 3/28800 720.0 0.252 0.341 0.283 0.000 0.000 0.000 3/28800 730.0 0.250 0.337 0.279 0.000 0.000 0.000 3/28800 740.0 0.247 0.333 0.276 0.000 0.000 0.000 3/28800 750.0 0.245 0.329 0.273 0.000 0.000 0.000 3/28800 760.0 0.242 0.326 0.270 0.000 0.000 0.000 3/28800 770.0 0.240 0.322 0.267 0.000 0.000 0.000 3/28800 780.0 0.238 0.319 0.264 0.000 0.000 0.000 3/28800 790.0 0.235 0.315 0.261 0.000 0.000 0.000 3/28800 800.0 0.233 0.312 0.258 0.000 0.000 0.000 3/28800 810.0 0.231 0.308 0.256 0.000 0.000 0.000 3/28800 820.0 0.229 0.305 0.253 0.000 0.000 0.000 3/28800 830.0 0.227 0.302 0.250 0.000 0.000 0.000 3/28800 840.0 0.225 0.299 0.248 0.000 0.000 0.000 3/28800 850.0 0.223 0.296 0.245 0.000 0.000 0.000 3/28800 860.0 0.221 0.293 0.243 0.000 0.000 0.000 3/28800 870.0 0.219 0.290 0.240 0.000 0.000 0.000 3/28800 880.0 0.217 0.287 0.238 0.000 0.000 0.000 3/28800 890.0 0.215 0.284 0.236 0.000 0.000 0.000 3/28800 900.0 0.213 0.282 0.233 0.000 0.000 0.000 3/28800 910.0 0.211 0.279 0.231 0.000 0.000 0.000 3/28800 920.0 0.209 0.276 0.229 0.000 0.000 0.000 3/28800 930.0 0.208 0.274 0.227 0.000 0.000 0.000 3/28800 940.0 0.206 0.271 0.224 0.000 0.000 0.000 3/28800 950.0 0.204 0.269 0.222 0.000 0.000 0.000 3/28800 960.0 0.203 0.266 0.220 0.000 0.000 0.000 3/28800 970.0 0.201 0.264 0.218 0.000 0.000 0.000 3/28800 980.0 0.199 0.261 0.216 0.000 0.000 0.000 3/28800 990.0 0.198 0.259 0.214 0.000 0.000 0.000 3/28800 1000.0 0.196 0.257 0.212 0.000 0.000 0.000 3/28800 Thermal conductivity related properties were written into "kappa-m8106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:52:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|