----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:58:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.445815540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.599519180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.338277170000000 Atomic positions (fractional): *1 O 0.47943035648702 0.75000000000000 0.58024517524642 15.999 2 O 0.52056964351298 0.25000000000000 0.41975482475358 15.999 3 O 0.97943035648702 0.75000000000000 0.91975482475358 15.999 4 O 0.02056964351298 0.25000000000000 0.08024517524642 15.999 *5 O 0.79133129273851 0.95781070081248 0.29207319749911 15.999 6 O 0.20866870726149 0.45781070081248 0.70792680250089 15.999 7 O 0.20866870726149 0.04218929918752 0.70792680250089 15.999 8 O 0.79133129273851 0.54218929918752 0.29207319749911 15.999 9 O 0.29133129273851 0.95781070081248 0.20792680250089 15.999 10 O 0.70866870726149 0.45781070081248 0.79207319749911 15.999 11 O 0.70866870726149 0.04218929918752 0.79207319749911 15.999 12 O 0.29133129273851 0.54218929918752 0.20792680250089 15.999 *13 Ca 0.54504896555381 0.75000000000000 0.00971584230407 40.078 14 Ca 0.45495103444619 0.25000000000000 0.99028415769594 40.078 15 Ca 0.04504896555381 0.75000000000000 0.49028415769593 40.078 16 Ca 0.95495103444619 0.25000000000000 0.50971584230406 40.078 *17 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 18 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 19 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 20 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.445815540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.599519180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.338277170000000 Atomic positions (fractional): *1 O 0.47943035648702 0.75000000000000 0.58024517524642 15.999 > 1 2 O 0.52056964351298 0.25000000000000 0.41975482475358 15.999 > 2 3 O 0.97943035648702 0.75000000000000 0.91975482475358 15.999 > 3 4 O 0.02056964351298 0.25000000000000 0.08024517524642 15.999 > 4 *5 O 0.79133129273851 0.95781070081248 0.29207319749911 15.999 > 5 6 O 0.20866870726149 0.45781070081248 0.70792680250089 15.999 > 6 7 O 0.20866870726149 0.04218929918752 0.70792680250089 15.999 > 7 8 O 0.79133129273851 0.54218929918752 0.29207319749911 15.999 > 8 9 O 0.29133129273851 0.95781070081248 0.20792680250089 15.999 > 9 10 O 0.70866870726149 0.45781070081248 0.79207319749911 15.999 > 10 11 O 0.70866870726149 0.04218929918752 0.79207319749911 15.999 > 11 12 O 0.29133129273851 0.54218929918752 0.20792680250089 15.999 > 12 *13 Ca 0.54504896555381 0.75000000000000 0.00971584230407 40.078 > 13 14 Ca 0.45495103444619 0.25000000000000 0.99028415769594 40.078 > 14 15 Ca 0.04504896555381 0.75000000000000 0.49028415769593 40.078 > 15 16 Ca 0.95495103444619 0.25000000000000 0.50971584230406 40.078 > 16 *17 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 17 18 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 18 19 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 19 20 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.891631080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.599519180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.676554339999999 Atomic positions (fractional): *1 O 0.23971517824351 0.75000000000000 0.29012258762321 15.999 > 1 2 O 0.73971517824351 0.75000000000000 0.29012258762321 15.999 > 1 3 O 0.23971517824351 0.75000000000000 0.79012258762321 15.999 > 1 4 O 0.73971517824351 0.75000000000000 0.79012258762321 15.999 > 1 5 O 0.26028482175649 0.25000000000000 0.20987741237679 15.999 > 2 6 O 0.76028482175649 0.25000000000000 0.20987741237679 15.999 > 2 7 O 0.26028482175649 0.25000000000000 0.70987741237679 15.999 > 2 8 O 0.76028482175649 0.25000000000000 0.70987741237679 15.999 > 2 9 O 0.48971517824351 0.75000000000000 0.45987741237679 15.999 > 3 10 O 0.98971517824351 0.75000000000000 0.45987741237679 15.999 > 3 11 O 0.48971517824351 0.75000000000000 0.95987741237679 15.999 > 3 12 O 0.98971517824351 0.75000000000000 0.95987741237679 15.999 > 3 13 O 0.01028482175649 0.25000000000000 0.04012258762321 15.999 > 4 14 O 0.51028482175649 0.25000000000000 0.04012258762321 15.999 > 4 15 O 0.01028482175649 0.25000000000000 0.54012258762321 15.999 > 4 16 O 0.51028482175649 0.25000000000000 0.54012258762321 15.999 > 4 *17 O 0.39566564636925 0.95781070081248 0.14603659874955 15.999 > 5 18 O 0.89566564636925 0.95781070081248 0.14603659874955 15.999 > 5 19 O 0.39566564636925 0.95781070081248 0.64603659874955 15.999 > 5 20 O 0.89566564636925 0.95781070081248 0.64603659874955 15.999 > 5 21 O 0.10433435363075 0.45781070081248 0.35396340125045 15.999 > 6 22 O 0.60433435363075 0.45781070081248 0.35396340125045 15.999 > 6 23 O 0.10433435363075 0.45781070081248 0.85396340125045 15.999 > 6 24 O 0.60433435363075 0.45781070081248 0.85396340125045 15.999 > 6 25 O 0.10433435363075 0.04218929918752 0.35396340125045 15.999 > 7 26 O 0.60433435363075 0.04218929918752 0.35396340125045 15.999 > 7 27 O 0.10433435363075 0.04218929918752 0.85396340125045 15.999 > 7 28 O 0.60433435363075 0.04218929918752 0.85396340125045 15.999 > 7 29 O 0.39566564636925 0.54218929918752 0.14603659874955 15.999 > 8 30 O 0.89566564636925 0.54218929918752 0.14603659874955 15.999 > 8 31 O 0.39566564636925 0.54218929918752 0.64603659874955 15.999 > 8 32 O 0.89566564636925 0.54218929918752 0.64603659874955 15.999 > 8 33 O 0.14566564636925 0.95781070081248 0.10396340125045 15.999 > 9 34 O 0.64566564636925 0.95781070081248 0.10396340125045 15.999 > 9 35 O 0.14566564636925 0.95781070081248 0.60396340125045 15.999 > 9 36 O 0.64566564636925 0.95781070081248 0.60396340125045 15.999 > 9 37 O 0.35433435363075 0.45781070081248 0.39603659874955 15.999 > 10 38 O 0.85433435363075 0.45781070081248 0.39603659874955 15.999 > 10 39 O 0.35433435363075 0.45781070081248 0.89603659874955 15.999 > 10 40 O 0.85433435363075 0.45781070081248 0.89603659874955 15.999 > 10 41 O 0.35433435363075 0.04218929918752 0.39603659874955 15.999 > 11 42 O 0.85433435363075 0.04218929918752 0.39603659874955 15.999 > 11 43 O 0.35433435363075 0.04218929918752 0.89603659874955 15.999 > 11 44 O 0.85433435363075 0.04218929918752 0.89603659874955 15.999 > 11 45 O 0.14566564636925 0.54218929918752 0.10396340125045 15.999 > 12 46 O 0.64566564636925 0.54218929918752 0.10396340125045 15.999 > 12 47 O 0.14566564636925 0.54218929918752 0.60396340125045 15.999 > 12 48 O 0.64566564636925 0.54218929918752 0.60396340125045 15.999 > 12 *49 Ca 0.27252448277690 0.75000000000000 0.00485792115203 40.078 > 13 50 Ca 0.77252448277690 0.75000000000000 0.00485792115203 40.078 > 13 51 Ca 0.27252448277690 0.75000000000000 0.50485792115203 40.078 > 13 52 Ca 0.77252448277690 0.75000000000000 0.50485792115203 40.078 > 13 53 Ca 0.22747551722310 0.25000000000000 0.49514207884797 40.078 > 14 54 Ca 0.72747551722310 0.25000000000000 0.49514207884797 40.078 > 14 55 Ca 0.22747551722310 0.25000000000000 0.99514207884797 40.078 > 14 56 Ca 0.72747551722310 0.25000000000000 0.99514207884797 40.078 > 14 57 Ca 0.02252448277690 0.75000000000000 0.24514207884797 40.078 > 15 58 Ca 0.52252448277690 0.75000000000000 0.24514207884797 40.078 > 15 59 Ca 0.02252448277690 0.75000000000000 0.74514207884797 40.078 > 15 60 Ca 0.52252448277690 0.75000000000000 0.74514207884797 40.078 > 15 61 Ca 0.47747551722310 0.25000000000000 0.25485792115203 40.078 > 16 62 Ca 0.97747551722310 0.25000000000000 0.25485792115203 40.078 > 16 63 Ca 0.47747551722310 0.25000000000000 0.75485792115203 40.078 > 16 64 Ca 0.97747551722310 0.25000000000000 0.75485792115203 40.078 > 16 *65 Ti 0.25000000000000 0.50000000000000 0.25000000000000 47.867 > 17 66 Ti 0.75000000000000 0.50000000000000 0.25000000000000 47.867 > 17 67 Ti 0.25000000000000 0.50000000000000 0.75000000000000 47.867 > 17 68 Ti 0.75000000000000 0.50000000000000 0.75000000000000 47.867 > 17 69 Ti 0.25000000000000 0.00000000000000 0.25000000000000 47.867 > 18 70 Ti 0.75000000000000 0.00000000000000 0.25000000000000 47.867 > 18 71 Ti 0.25000000000000 0.00000000000000 0.75000000000000 47.867 > 18 72 Ti 0.75000000000000 0.00000000000000 0.75000000000000 47.867 > 18 73 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 19 74 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 19 75 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 19 76 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 19 77 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 20 78 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 20 79 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 20 80 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5444829 0.0000000 0.0000000 0.0000000 6.4281375 0.0000000 0.0000000 0.0000000 6.3868125 -------------------------- Born effective charges -------------------------- 1 O -1.8781078 0.0000000 -0.1660325 0.0000000 -5.5765601 0.0000000 0.0292244 0.0000000 -2.0895727 2 O -1.8781078 0.0000000 -0.1660325 0.0000000 -5.5765601 0.0000000 0.0292244 0.0000000 -2.0895727 3 O -1.8781078 0.0000000 0.1660325 0.0000000 -5.5765601 0.0000000 -0.0292244 0.0000000 -2.0895727 4 O -1.8781078 0.0000000 0.1660325 0.0000000 -5.5765601 0.0000000 -0.0292244 0.0000000 -2.0895727 5 O -3.8533301 0.0735316 1.7986339 0.0965451 -1.9656659 -0.0001522 1.7453337 0.0017555 -3.6922194 6 O -3.8533301 -0.0735316 1.7986339 -0.0965451 -1.9656659 0.0001522 1.7453337 -0.0017555 -3.6922194 7 O -3.8533301 0.0735316 1.7986339 0.0965451 -1.9656659 -0.0001522 1.7453337 0.0017555 -3.6922194 8 O -3.8533301 -0.0735316 1.7986339 -0.0965451 -1.9656659 0.0001522 1.7453337 -0.0017555 -3.6922194 9 O -3.8533301 0.0735316 -1.7986339 0.0965451 -1.9656659 0.0001522 -1.7453337 -0.0017555 -3.6922194 10 O -3.8533301 -0.0735316 -1.7986339 -0.0965451 -1.9656659 -0.0001522 -1.7453337 0.0017555 -3.6922194 11 O -3.8533301 0.0735316 -1.7986339 0.0965451 -1.9656659 0.0001522 -1.7453337 -0.0017555 -3.6922194 12 O -3.8533301 -0.0735316 -1.7986339 -0.0965451 -1.9656659 -0.0001522 -1.7453337 0.0017555 -3.6922194 13 Ca 2.4236280 0.0000000 -0.1854852 0.0000000 2.3988298 0.0000000 -0.1544827 0.0000000 2.4699356 14 Ca 2.4236280 0.0000000 -0.1854852 0.0000000 2.3988298 0.0000000 -0.1544827 0.0000000 2.4699356 15 Ca 2.4236280 0.0000000 0.1854852 0.0000000 2.3988298 0.0000000 0.1544827 0.0000000 2.4699356 16 Ca 2.4236280 0.0000000 0.1854852 0.0000000 2.3988298 0.0000000 0.1544827 0.0000000 2.4699356 17 Ti 7.1611400 -0.0657971 0.5294635 -0.2282219 7.1090621 0.7509744 -0.6785022 -0.9274698 7.0040760 18 Ti 7.1611400 0.0657971 0.5294635 0.2282219 7.1090621 -0.7509744 -0.6785022 0.9274698 7.0040760 19 Ti 7.1611400 -0.0657971 -0.5294635 -0.2282219 7.1090621 -0.7509744 0.6785022 0.9274698 7.0040760 20 Ti 7.1611400 0.0657971 -0.5294635 0.2282219 7.1090621 0.7509744 0.6785022 -0.9274698 7.0040760 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.766 Solver_block: 200 / 320 - Time: 0.778 Solver_block: 300 / 320 - Time: 0.790 Solver_block: 320 / 320 - Time: 0.196 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.570 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:58:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:58:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.445815540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.599519180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.338277170000000 Atomic positions (fractional): 1 O 0.47943035648702 0.75000000000000 0.58024517524642 15.999 2 O 0.52056964351298 0.25000000000000 0.41975482475358 15.999 3 O 0.97943035648702 0.75000000000000 0.91975482475358 15.999 4 O 0.02056964351298 0.25000000000000 0.08024517524642 15.999 5 O 0.79133129273851 0.95781070081248 0.29207319749911 15.999 6 O 0.20866870726149 0.45781070081248 0.70792680250089 15.999 7 O 0.20866870726149 0.04218929918752 0.70792680250089 15.999 8 O 0.79133129273851 0.54218929918752 0.29207319749911 15.999 9 O 0.29133129273851 0.95781070081248 0.20792680250089 15.999 10 O 0.70866870726149 0.45781070081248 0.79207319749911 15.999 11 O 0.70866870726149 0.04218929918752 0.79207319749911 15.999 12 O 0.29133129273851 0.54218929918752 0.20792680250089 15.999 13 Ca 0.54504896555381 0.75000000000000 0.00971584230407 40.078 14 Ca 0.45495103444619 0.25000000000000 0.99028415769594 40.078 15 Ca 0.04504896555381 0.75000000000000 0.49028415769593 40.078 16 Ca 0.95495103444619 0.25000000000000 0.50971584230406 40.078 17 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 18 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 19 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 20 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.891631080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.599519180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.676554339999999 Atomic positions (fractional): 1 O 0.23971517824351 0.75000000000000 0.29012258762321 15.999 > 1 2 O 0.73971517824351 0.75000000000000 0.29012258762321 15.999 > 1 3 O 0.23971517824351 0.75000000000000 0.79012258762321 15.999 > 1 4 O 0.73971517824351 0.75000000000000 0.79012258762321 15.999 > 1 5 O 0.26028482175649 0.25000000000000 0.20987741237679 15.999 > 5 6 O 0.76028482175649 0.25000000000000 0.20987741237679 15.999 > 5 7 O 0.26028482175649 0.25000000000000 0.70987741237679 15.999 > 5 8 O 0.76028482175649 0.25000000000000 0.70987741237679 15.999 > 5 9 O 0.48971517824351 0.75000000000000 0.45987741237679 15.999 > 9 10 O 0.98971517824351 0.75000000000000 0.45987741237679 15.999 > 9 11 O 0.48971517824351 0.75000000000000 0.95987741237679 15.999 > 9 12 O 0.98971517824351 0.75000000000000 0.95987741237679 15.999 > 9 13 O 0.01028482175649 0.25000000000000 0.04012258762321 15.999 > 13 14 O 0.51028482175649 0.25000000000000 0.04012258762321 15.999 > 13 15 O 0.01028482175649 0.25000000000000 0.54012258762321 15.999 > 13 16 O 0.51028482175649 0.25000000000000 0.54012258762321 15.999 > 13 17 O 0.39566564636925 0.95781070081248 0.14603659874955 15.999 > 17 18 O 0.89566564636925 0.95781070081248 0.14603659874955 15.999 > 17 19 O 0.39566564636925 0.95781070081248 0.64603659874955 15.999 > 17 20 O 0.89566564636925 0.95781070081248 0.64603659874955 15.999 > 17 21 O 0.10433435363075 0.45781070081248 0.35396340125045 15.999 > 21 22 O 0.60433435363075 0.45781070081248 0.35396340125045 15.999 > 21 23 O 0.10433435363075 0.45781070081248 0.85396340125045 15.999 > 21 24 O 0.60433435363075 0.45781070081248 0.85396340125045 15.999 > 21 25 O 0.10433435363075 0.04218929918752 0.35396340125045 15.999 > 25 26 O 0.60433435363075 0.04218929918752 0.35396340125045 15.999 > 25 27 O 0.10433435363075 0.04218929918752 0.85396340125045 15.999 > 25 28 O 0.60433435363075 0.04218929918752 0.85396340125045 15.999 > 25 29 O 0.39566564636925 0.54218929918752 0.14603659874955 15.999 > 29 30 O 0.89566564636925 0.54218929918752 0.14603659874955 15.999 > 29 31 O 0.39566564636925 0.54218929918752 0.64603659874955 15.999 > 29 32 O 0.89566564636925 0.54218929918752 0.64603659874955 15.999 > 29 33 O 0.14566564636925 0.95781070081248 0.10396340125045 15.999 > 33 34 O 0.64566564636925 0.95781070081248 0.10396340125045 15.999 > 33 35 O 0.14566564636925 0.95781070081248 0.60396340125045 15.999 > 33 36 O 0.64566564636925 0.95781070081248 0.60396340125045 15.999 > 33 37 O 0.35433435363075 0.45781070081248 0.39603659874955 15.999 > 37 38 O 0.85433435363075 0.45781070081248 0.39603659874955 15.999 > 37 39 O 0.35433435363075 0.45781070081248 0.89603659874955 15.999 > 37 40 O 0.85433435363075 0.45781070081248 0.89603659874955 15.999 > 37 41 O 0.35433435363075 0.04218929918752 0.39603659874955 15.999 > 41 42 O 0.85433435363075 0.04218929918752 0.39603659874955 15.999 > 41 43 O 0.35433435363075 0.04218929918752 0.89603659874955 15.999 > 41 44 O 0.85433435363075 0.04218929918752 0.89603659874955 15.999 > 41 45 O 0.14566564636925 0.54218929918752 0.10396340125045 15.999 > 45 46 O 0.64566564636925 0.54218929918752 0.10396340125045 15.999 > 45 47 O 0.14566564636925 0.54218929918752 0.60396340125045 15.999 > 45 48 O 0.64566564636925 0.54218929918752 0.60396340125045 15.999 > 45 49 Ca 0.27252448277690 0.75000000000000 0.00485792115203 40.078 > 49 50 Ca 0.77252448277690 0.75000000000000 0.00485792115203 40.078 > 49 51 Ca 0.27252448277690 0.75000000000000 0.50485792115203 40.078 > 49 52 Ca 0.77252448277690 0.75000000000000 0.50485792115203 40.078 > 49 53 Ca 0.22747551722310 0.25000000000000 0.49514207884797 40.078 > 53 54 Ca 0.72747551722310 0.25000000000000 0.49514207884797 40.078 > 53 55 Ca 0.22747551722310 0.25000000000000 0.99514207884797 40.078 > 53 56 Ca 0.72747551722310 0.25000000000000 0.99514207884797 40.078 > 53 57 Ca 0.02252448277690 0.75000000000000 0.24514207884797 40.078 > 57 58 Ca 0.52252448277690 0.75000000000000 0.24514207884797 40.078 > 57 59 Ca 0.02252448277690 0.75000000000000 0.74514207884797 40.078 > 57 60 Ca 0.52252448277690 0.75000000000000 0.74514207884797 40.078 > 57 61 Ca 0.47747551722310 0.25000000000000 0.25485792115203 40.078 > 61 62 Ca 0.97747551722310 0.25000000000000 0.25485792115203 40.078 > 61 63 Ca 0.47747551722310 0.25000000000000 0.75485792115203 40.078 > 61 64 Ca 0.97747551722310 0.25000000000000 0.75485792115203 40.078 > 61 65 Ti 0.25000000000000 0.50000000000000 0.25000000000000 47.867 > 65 66 Ti 0.75000000000000 0.50000000000000 0.25000000000000 47.867 > 65 67 Ti 0.25000000000000 0.50000000000000 0.75000000000000 47.867 > 65 68 Ti 0.75000000000000 0.50000000000000 0.75000000000000 47.867 > 65 69 Ti 0.25000000000000 0.00000000000000 0.25000000000000 47.867 > 69 70 Ti 0.75000000000000 0.00000000000000 0.25000000000000 47.867 > 69 71 Ti 0.25000000000000 0.00000000000000 0.75000000000000 47.867 > 69 72 Ti 0.75000000000000 0.00000000000000 0.75000000000000 47.867 > 69 73 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 73 74 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 73 75 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 73 76 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 73 77 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 77 78 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 77 79 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 77 80 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.5444829 0.0000000 0.0000000 0.0000000 6.4281375 0.0000000 0.0000000 0.0000000 6.3868125 -------------------------- Born effective charges -------------------------- 1 O -1.8781078 0.0000000 -0.1660325 0.0000000 -5.5765601 0.0000000 0.0292244 0.0000000 -2.0895727 2 O -1.8781078 0.0000000 -0.1660325 0.0000000 -5.5765601 0.0000000 0.0292244 0.0000000 -2.0895727 3 O -1.8781078 0.0000000 0.1660325 0.0000000 -5.5765601 0.0000000 -0.0292244 0.0000000 -2.0895727 4 O -1.8781078 0.0000000 0.1660325 0.0000000 -5.5765601 0.0000000 -0.0292244 0.0000000 -2.0895727 5 O -3.8533301 0.0735316 1.7986339 0.0965451 -1.9656659 -0.0001522 1.7453337 0.0017555 -3.6922194 6 O -3.8533301 -0.0735316 1.7986339 -0.0965451 -1.9656659 0.0001522 1.7453337 -0.0017555 -3.6922194 7 O -3.8533301 0.0735316 1.7986339 0.0965451 -1.9656659 -0.0001522 1.7453337 0.0017555 -3.6922194 8 O -3.8533301 -0.0735316 1.7986339 -0.0965451 -1.9656659 0.0001522 1.7453337 -0.0017555 -3.6922194 9 O -3.8533301 0.0735316 -1.7986339 0.0965451 -1.9656659 0.0001522 -1.7453337 -0.0017555 -3.6922194 10 O -3.8533301 -0.0735316 -1.7986339 -0.0965451 -1.9656659 -0.0001522 -1.7453337 0.0017555 -3.6922194 11 O -3.8533301 0.0735316 -1.7986339 0.0965451 -1.9656659 0.0001522 -1.7453337 -0.0017555 -3.6922194 12 O -3.8533301 -0.0735316 -1.7986339 -0.0965451 -1.9656659 -0.0001522 -1.7453337 0.0017555 -3.6922194 13 Ca 2.4236280 0.0000000 -0.1854852 0.0000000 2.3988298 0.0000000 -0.1544827 0.0000000 2.4699356 14 Ca 2.4236280 0.0000000 -0.1854852 0.0000000 2.3988298 0.0000000 -0.1544827 0.0000000 2.4699356 15 Ca 2.4236280 0.0000000 0.1854852 0.0000000 2.3988298 0.0000000 0.1544827 0.0000000 2.4699356 16 Ca 2.4236280 0.0000000 0.1854852 0.0000000 2.3988298 0.0000000 0.1544827 0.0000000 2.4699356 17 Ti 7.1611400 -0.0657971 0.5294635 -0.2282219 7.1090621 0.7509744 -0.6785022 -0.9274698 7.0040760 18 Ti 7.1611400 0.0657971 0.5294635 0.2282219 7.1090621 -0.7509744 -0.6785022 0.9274698 7.0040760 19 Ti 7.1611400 -0.0657971 -0.5294635 -0.2282219 7.1090621 -0.7509744 0.6785022 0.9274698 7.0040760 20 Ti 7.1611400 0.0657971 -0.5294635 0.2282219 7.1090621 0.7509744 0.6785022 -0.9274698 7.0040760 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: 0.00000006 (yzy) 0.00000006 (yzy) 0.00000006 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000008 (yx) 0.00000008 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:59:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:59:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.445815540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.599519180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.338277170000000 Atomic positions (fractional): 1 O 0.47943035648702 0.75000000000000 0.58024517524642 15.999 2 O 0.52056964351298 0.25000000000000 0.41975482475358 15.999 3 O 0.97943035648702 0.75000000000000 0.91975482475358 15.999 4 O 0.02056964351298 0.25000000000000 0.08024517524642 15.999 5 O 0.79133129273851 0.95781070081248 0.29207319749911 15.999 6 O 0.20866870726149 0.45781070081248 0.70792680250089 15.999 7 O 0.20866870726149 0.04218929918752 0.70792680250089 15.999 8 O 0.79133129273851 0.54218929918752 0.29207319749911 15.999 9 O 0.29133129273851 0.95781070081248 0.20792680250089 15.999 10 O 0.70866870726149 0.45781070081248 0.79207319749911 15.999 11 O 0.70866870726149 0.04218929918752 0.79207319749911 15.999 12 O 0.29133129273851 0.54218929918752 0.20792680250089 15.999 13 Ca 0.54504896555381 0.75000000000000 0.00971584230407 40.078 14 Ca 0.45495103444619 0.25000000000000 0.99028415769594 40.078 15 Ca 0.04504896555381 0.75000000000000 0.49028415769593 40.078 16 Ca 0.95495103444619 0.25000000000000 0.50971584230406 40.078 17 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 18 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 19 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 20 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.891631080000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.599519180000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.676554339999999 Atomic positions (fractional): 1 O 0.23971517824351 0.75000000000000 0.29012258762321 15.999 > 1 2 O 0.73971517824351 0.75000000000000 0.29012258762321 15.999 > 1 3 O 0.23971517824351 0.75000000000000 0.79012258762321 15.999 > 1 4 O 0.73971517824351 0.75000000000000 0.79012258762321 15.999 > 1 5 O 0.26028482175649 0.25000000000000 0.20987741237679 15.999 > 5 6 O 0.76028482175649 0.25000000000000 0.20987741237679 15.999 > 5 7 O 0.26028482175649 0.25000000000000 0.70987741237679 15.999 > 5 8 O 0.76028482175649 0.25000000000000 0.70987741237679 15.999 > 5 9 O 0.48971517824351 0.75000000000000 0.45987741237679 15.999 > 9 10 O 0.98971517824351 0.75000000000000 0.45987741237679 15.999 > 9 11 O 0.48971517824351 0.75000000000000 0.95987741237679 15.999 > 9 12 O 0.98971517824351 0.75000000000000 0.95987741237679 15.999 > 9 13 O 0.01028482175649 0.25000000000000 0.04012258762321 15.999 > 13 14 O 0.51028482175649 0.25000000000000 0.04012258762321 15.999 > 13 15 O 0.01028482175649 0.25000000000000 0.54012258762321 15.999 > 13 16 O 0.51028482175649 0.25000000000000 0.54012258762321 15.999 > 13 17 O 0.39566564636925 0.95781070081248 0.14603659874955 15.999 > 17 18 O 0.89566564636925 0.95781070081248 0.14603659874955 15.999 > 17 19 O 0.39566564636925 0.95781070081248 0.64603659874955 15.999 > 17 20 O 0.89566564636925 0.95781070081248 0.64603659874955 15.999 > 17 21 O 0.10433435363075 0.45781070081248 0.35396340125045 15.999 > 21 22 O 0.60433435363075 0.45781070081248 0.35396340125045 15.999 > 21 23 O 0.10433435363075 0.45781070081248 0.85396340125045 15.999 > 21 24 O 0.60433435363075 0.45781070081248 0.85396340125045 15.999 > 21 25 O 0.10433435363075 0.04218929918752 0.35396340125045 15.999 > 25 26 O 0.60433435363075 0.04218929918752 0.35396340125045 15.999 > 25 27 O 0.10433435363075 0.04218929918752 0.85396340125045 15.999 > 25 28 O 0.60433435363075 0.04218929918752 0.85396340125045 15.999 > 25 29 O 0.39566564636925 0.54218929918752 0.14603659874955 15.999 > 29 30 O 0.89566564636925 0.54218929918752 0.14603659874955 15.999 > 29 31 O 0.39566564636925 0.54218929918752 0.64603659874955 15.999 > 29 32 O 0.89566564636925 0.54218929918752 0.64603659874955 15.999 > 29 33 O 0.14566564636925 0.95781070081248 0.10396340125045 15.999 > 33 34 O 0.64566564636925 0.95781070081248 0.10396340125045 15.999 > 33 35 O 0.14566564636925 0.95781070081248 0.60396340125045 15.999 > 33 36 O 0.64566564636925 0.95781070081248 0.60396340125045 15.999 > 33 37 O 0.35433435363075 0.45781070081248 0.39603659874955 15.999 > 37 38 O 0.85433435363075 0.45781070081248 0.39603659874955 15.999 > 37 39 O 0.35433435363075 0.45781070081248 0.89603659874955 15.999 > 37 40 O 0.85433435363075 0.45781070081248 0.89603659874955 15.999 > 37 41 O 0.35433435363075 0.04218929918752 0.39603659874955 15.999 > 41 42 O 0.85433435363075 0.04218929918752 0.39603659874955 15.999 > 41 43 O 0.35433435363075 0.04218929918752 0.89603659874955 15.999 > 41 44 O 0.85433435363075 0.04218929918752 0.89603659874955 15.999 > 41 45 O 0.14566564636925 0.54218929918752 0.10396340125045 15.999 > 45 46 O 0.64566564636925 0.54218929918752 0.10396340125045 15.999 > 45 47 O 0.14566564636925 0.54218929918752 0.60396340125045 15.999 > 45 48 O 0.64566564636925 0.54218929918752 0.60396340125045 15.999 > 45 49 Ca 0.27252448277690 0.75000000000000 0.00485792115203 40.078 > 49 50 Ca 0.77252448277690 0.75000000000000 0.00485792115203 40.078 > 49 51 Ca 0.27252448277690 0.75000000000000 0.50485792115203 40.078 > 49 52 Ca 0.77252448277690 0.75000000000000 0.50485792115203 40.078 > 49 53 Ca 0.22747551722310 0.25000000000000 0.49514207884797 40.078 > 53 54 Ca 0.72747551722310 0.25000000000000 0.49514207884797 40.078 > 53 55 Ca 0.22747551722310 0.25000000000000 0.99514207884797 40.078 > 53 56 Ca 0.72747551722310 0.25000000000000 0.99514207884797 40.078 > 53 57 Ca 0.02252448277690 0.75000000000000 0.24514207884797 40.078 > 57 58 Ca 0.52252448277690 0.75000000000000 0.24514207884797 40.078 > 57 59 Ca 0.02252448277690 0.75000000000000 0.74514207884797 40.078 > 57 60 Ca 0.52252448277690 0.75000000000000 0.74514207884797 40.078 > 57 61 Ca 0.47747551722310 0.25000000000000 0.25485792115203 40.078 > 61 62 Ca 0.97747551722310 0.25000000000000 0.25485792115203 40.078 > 61 63 Ca 0.47747551722310 0.25000000000000 0.75485792115203 40.078 > 61 64 Ca 0.97747551722310 0.25000000000000 0.75485792115203 40.078 > 61 65 Ti 0.25000000000000 0.50000000000000 0.25000000000000 47.867 > 65 66 Ti 0.75000000000000 0.50000000000000 0.25000000000000 47.867 > 65 67 Ti 0.25000000000000 0.50000000000000 0.75000000000000 47.867 > 65 68 Ti 0.75000000000000 0.50000000000000 0.75000000000000 47.867 > 65 69 Ti 0.25000000000000 0.00000000000000 0.25000000000000 47.867 > 69 70 Ti 0.75000000000000 0.00000000000000 0.25000000000000 47.867 > 69 71 Ti 0.25000000000000 0.00000000000000 0.75000000000000 47.867 > 69 72 Ti 0.75000000000000 0.00000000000000 0.75000000000000 47.867 > 69 73 Ti 0.00000000000000 0.50000000000000 0.00000000000000 47.867 > 73 74 Ti 0.50000000000000 0.50000000000000 0.00000000000000 47.867 > 73 75 Ti 0.00000000000000 0.50000000000000 0.50000000000000 47.867 > 73 76 Ti 0.50000000000000 0.50000000000000 0.50000000000000 47.867 > 73 77 Ti 0.00000000000000 0.00000000000000 0.00000000000000 47.867 > 77 78 Ti 0.50000000000000 0.00000000000000 0.00000000000000 47.867 > 77 79 Ti 0.00000000000000 0.00000000000000 0.50000000000000 47.867 > 77 80 Ti 0.50000000000000 0.00000000000000 0.50000000000000 47.867 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.5444829 0.0000000 0.0000000 0.0000000 6.4281375 0.0000000 0.0000000 0.0000000 6.3868125 -------------------------- Born effective charges -------------------------- 1 O -1.8781078 0.0000000 -0.1660325 0.0000000 -5.5765601 0.0000000 0.0292244 0.0000000 -2.0895727 2 O -1.8781078 0.0000000 -0.1660325 0.0000000 -5.5765601 0.0000000 0.0292244 0.0000000 -2.0895727 3 O -1.8781078 0.0000000 0.1660325 0.0000000 -5.5765601 0.0000000 -0.0292244 0.0000000 -2.0895727 4 O -1.8781078 0.0000000 0.1660325 0.0000000 -5.5765601 0.0000000 -0.0292244 0.0000000 -2.0895727 5 O -3.8533301 0.0735316 1.7986339 0.0965451 -1.9656659 -0.0001522 1.7453337 0.0017555 -3.6922194 6 O -3.8533301 -0.0735316 1.7986339 -0.0965451 -1.9656659 0.0001522 1.7453337 -0.0017555 -3.6922194 7 O -3.8533301 0.0735316 1.7986339 0.0965451 -1.9656659 -0.0001522 1.7453337 0.0017555 -3.6922194 8 O -3.8533301 -0.0735316 1.7986339 -0.0965451 -1.9656659 0.0001522 1.7453337 -0.0017555 -3.6922194 9 O -3.8533301 0.0735316 -1.7986339 0.0965451 -1.9656659 0.0001522 -1.7453337 -0.0017555 -3.6922194 10 O -3.8533301 -0.0735316 -1.7986339 -0.0965451 -1.9656659 -0.0001522 -1.7453337 0.0017555 -3.6922194 11 O -3.8533301 0.0735316 -1.7986339 0.0965451 -1.9656659 0.0001522 -1.7453337 -0.0017555 -3.6922194 12 O -3.8533301 -0.0735316 -1.7986339 -0.0965451 -1.9656659 -0.0001522 -1.7453337 0.0017555 -3.6922194 13 Ca 2.4236280 0.0000000 -0.1854852 0.0000000 2.3988298 0.0000000 -0.1544827 0.0000000 2.4699356 14 Ca 2.4236280 0.0000000 -0.1854852 0.0000000 2.3988298 0.0000000 -0.1544827 0.0000000 2.4699356 15 Ca 2.4236280 0.0000000 0.1854852 0.0000000 2.3988298 0.0000000 0.1544827 0.0000000 2.4699356 16 Ca 2.4236280 0.0000000 0.1854852 0.0000000 2.3988298 0.0000000 0.1544827 0.0000000 2.4699356 17 Ti 7.1611400 -0.0657971 0.5294635 -0.2282219 7.1090621 0.7509744 -0.6785022 -0.9274698 7.0040760 18 Ti 7.1611400 0.0657971 0.5294635 0.2282219 7.1090621 -0.7509744 -0.6785022 0.9274698 7.0040760 19 Ti 7.1611400 -0.0657971 -0.5294635 -0.2282219 7.1090621 -0.7509744 0.6785022 0.9274698 7.0040760 20 Ti 7.1611400 0.0657971 -0.5294635 0.2282219 7.1090621 0.7509744 0.6785022 -0.9274698 7.0040760 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (yzy) 0.00000006 (yzy) 0.00000006 (yyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.69, Number of G-points: 319, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.449 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.431 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 9.037 ( 0.000 0.000 0.000) 0.000 9.516 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.323 ( 0.000 0.000 0.000) 0.000 10.581 ( 0.000 0.000 0.000) 0.000 10.795 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 12.706 ( 0.000 0.000 0.000) 0.000 12.735 ( 0.000 0.000 0.000) 0.000 12.956 ( 0.000 0.000 0.000) 0.000 13.334 ( 0.000 0.000 0.000) 0.000 13.444 ( 0.000 0.000 0.000) 0.000 13.454 ( 0.000 0.000 0.000) 0.000 13.581 ( 0.000 0.000 0.000) 0.000 14.262 ( 0.000 0.000 0.000) 0.000 14.412 ( 0.000 0.000 0.000) 0.000 14.468 ( 0.000 0.000 0.000) 0.000 14.510 ( 0.000 0.000 0.000) 0.000 14.794 ( 0.000 0.000 0.000) 0.000 14.904 ( 0.000 0.000 0.000) 0.000 15.003 ( 0.000 0.000 0.000) 0.000 15.282 ( 0.000 0.000 0.000) 0.000 15.454 ( 0.000 0.000 0.000) 0.000 15.498 ( 0.000 0.000 0.000) 0.000 15.795 ( 0.000 0.000 0.000) 0.000 16.488 ( 0.000 0.000 0.000) 0.000 22.081 ( 0.000 0.000 0.000) 0.000 22.911 ( 0.000 0.000 0.000) 0.000 23.937 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 49.016 0.000 0.000) 49.016 1.054 ( 47.614 0.000 0.000) 47.614 1.759 ( 82.891 0.000 0.000) 82.891 2.603 ( 35.778 0.000 0.000) 35.778 2.682 ( 88.724 0.000 0.000) 88.724 3.277 ( 35.693 0.000 0.000) 35.693 3.522 ( 10.585 0.000 0.000) 10.585 3.700 ( 12.779 0.000 0.000) 12.779 4.271 ( 5.319 0.000 0.000) 5.319 4.515 ( -18.003 0.000 0.000) 18.003 4.572 ( -0.704 0.000 0.000) 0.704 4.794 ( 2.968 0.000 0.000) 2.968 5.051 ( -4.227 0.000 0.000) 4.227 5.459 ( 13.854 0.000 0.000) 13.854 5.536 ( -0.793 0.000 0.000) 0.793 5.808 ( -8.657 0.000 0.000) 8.657 5.979 ( 19.189 0.000 0.000) 19.189 6.053 ( 13.282 0.000 0.000) 13.282 6.067 ( 7.931 0.000 0.000) 7.931 6.437 ( 4.694 0.000 0.000) 4.694 6.458 ( -10.472 0.000 0.000) 10.472 6.768 ( 2.135 0.000 0.000) 2.135 7.228 ( 20.351 0.000 0.000) 20.351 7.455 ( -3.146 0.000 0.000) 3.146 7.734 ( 3.097 0.000 0.000) 3.097 8.005 ( 35.030 0.000 0.000) 35.030 8.257 ( 0.226 0.000 0.000) 0.226 8.521 ( 8.353 0.000 0.000) 8.353 8.602 ( -3.512 0.000 0.000) 3.512 9.049 ( 12.211 0.000 0.000) 12.211 9.420 ( -8.722 0.000 0.000) 8.722 9.743 ( -20.434 0.000 0.000) 20.434 10.185 ( -4.417 0.000 0.000) 4.417 10.456 ( 9.706 0.000 0.000) 9.706 10.543 ( -3.704 0.000 0.000) 3.704 10.607 ( -11.280 0.000 0.000) 11.280 11.302 ( 17.226 0.000 0.000) 17.226 12.512 ( -19.773 0.000 0.000) 19.773 12.529 ( -17.210 0.000 0.000) 17.210 12.845 ( -7.851 0.000 0.000) 7.851 13.419 ( 3.070 0.000 0.000) 3.070 13.446 ( 0.685 0.000 0.000) 0.685 13.512 ( -5.541 0.000 0.000) 5.541 13.674 ( 13.057 0.000 0.000) 13.057 13.797 ( 9.876 0.000 0.000) 9.876 13.997 ( -14.461 0.000 0.000) 14.461 14.313 ( 4.873 0.000 0.000) 4.873 14.369 ( -17.720 0.000 0.000) 17.720 14.811 ( 1.608 0.000 0.000) 1.608 14.833 ( -4.190 0.000 0.000) 4.190 14.870 ( 15.820 0.000 0.000) 15.820 15.078 ( 4.535 0.000 0.000) 4.535 15.466 ( -3.110 0.000 0.000) 3.110 15.477 ( 1.947 0.000 0.000) 1.947 15.778 ( -1.604 0.000 0.000) 1.604 16.424 ( -5.761 0.000 0.000) 5.761 22.146 ( 6.514 0.000 0.000) 6.514 22.623 ( 1.403 0.000 0.000) 1.403 22.907 ( -0.388 0.000 0.000) 0.388 23.945 ( 0.452 0.000 0.000) 0.452 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 34.390 0.000 0.000) 34.390 1.980 ( 42.181 0.000 0.000) 42.181 3.276 ( 61.658 0.000 0.000) 61.658 3.363 ( 29.671 0.000 0.000) 29.671 3.588 ( 0.593 0.000 0.000) 0.593 3.839 ( 27.536 0.000 0.000) 27.536 4.059 ( 3.373 0.000 0.000) 3.373 4.245 ( 20.342 0.000 0.000) 20.342 4.495 ( -6.880 0.000 0.000) 6.880 4.515 ( 51.793 0.000 0.000) 51.793 4.596 ( 26.492 0.000 0.000) 26.492 4.887 ( 3.263 0.000 0.000) 3.263 5.030 ( 6.809 0.000 0.000) 6.809 5.510 ( -0.722 0.000 0.000) 0.722 5.655 ( 3.754 0.000 0.000) 3.754 5.720 ( 9.113 0.000 0.000) 9.113 6.178 ( -14.401 0.000 0.000) 14.401 6.225 ( 5.912 0.000 0.000) 5.912 6.286 ( 13.864 0.000 0.000) 13.864 6.366 ( 15.076 0.000 0.000) 15.076 6.728 ( 22.664 0.000 0.000) 22.664 6.954 ( 19.888 0.000 0.000) 19.888 7.393 ( -2.570 0.000 0.000) 2.570 7.790 ( 1.583 0.000 0.000) 1.583 7.813 ( 35.894 0.000 0.000) 35.894 8.262 ( 0.905 0.000 0.000) 0.905 8.645 ( 7.334 0.000 0.000) 7.334 8.709 ( 4.915 0.000 0.000) 4.915 9.062 ( 62.756 0.000 0.000) 62.756 9.202 ( -11.420 0.000 0.000) 11.420 9.225 ( -24.338 0.000 0.000) 24.338 9.231 ( 5.086 0.000 0.000) 5.086 10.130 ( -0.145 0.000 0.000) 0.145 10.388 ( -10.615 0.000 0.000) 10.615 10.433 ( -6.821 0.000 0.000) 6.821 10.705 ( 14.301 0.000 0.000) 14.301 11.654 ( 16.101 0.000 0.000) 16.101 12.011 ( -28.197 0.000 0.000) 28.197 12.028 ( -30.552 0.000 0.000) 30.552 12.684 ( -7.992 0.000 0.000) 7.992 13.021 ( -32.929 0.000 0.000) 32.929 13.347 ( -11.743 0.000 0.000) 11.743 13.450 ( -2.514 0.000 0.000) 2.514 13.851 ( -29.287 0.000 0.000) 29.287 13.974 ( 16.455 0.000 0.000) 16.455 14.070 ( 14.064 0.000 0.000) 14.064 14.152 ( 20.619 0.000 0.000) 20.619 14.450 ( 8.113 0.000 0.000) 8.113 14.768 ( -1.955 0.000 0.000) 1.955 14.854 ( 2.393 0.000 0.000) 2.393 15.101 ( 6.589 0.000 0.000) 6.589 15.147 ( 1.851 0.000 0.000) 1.851 15.370 ( -6.296 0.000 0.000) 6.296 15.519 ( 1.879 0.000 0.000) 1.879 15.738 ( -1.994 0.000 0.000) 1.994 16.254 ( -10.743 0.000 0.000) 10.743 22.354 ( 13.981 0.000 0.000) 13.981 22.664 ( 2.506 0.000 0.000) 2.506 22.894 ( -0.838 0.000 0.000) 0.838 23.933 ( -2.307 0.000 0.000) 2.307 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 24.075 0.000 0.000) 24.075 2.755 ( 33.872 0.000 0.000) 33.872 3.494 ( -8.921 0.000 0.000) 8.921 3.727 ( 13.107 0.000 0.000) 13.107 3.999 ( 1.159 0.000 0.000) 1.159 4.090 ( 18.601 0.000 0.000) 18.601 4.293 ( -13.017 0.000 0.000) 13.017 4.565 ( 12.839 0.000 0.000) 12.839 4.660 ( 41.986 0.000 0.000) 41.986 4.702 ( -10.009 0.000 0.000) 10.009 4.876 ( -4.864 0.000 0.000) 4.864 5.082 ( -1.161 0.000 0.000) 1.161 5.329 ( 13.818 0.000 0.000) 13.818 5.551 ( 2.121 0.000 0.000) 2.121 5.677 ( 2.571 0.000 0.000) 2.571 6.116 ( 17.101 0.000 0.000) 17.101 6.282 ( 24.354 0.000 0.000) 24.354 6.536 ( 23.135 0.000 0.000) 23.135 6.612 ( 8.692 0.000 0.000) 8.692 6.776 ( 41.156 0.000 0.000) 41.156 7.082 ( 14.136 0.000 0.000) 14.136 7.354 ( -1.268 0.000 0.000) 1.268 7.572 ( 21.359 0.000 0.000) 21.359 7.769 ( -4.116 0.000 0.000) 4.116 8.311 ( -32.164 0.000 0.000) 32.164 8.489 ( 33.978 0.000 0.000) 33.978 8.613 ( 39.556 0.000 0.000) 39.556 8.857 ( 11.123 0.000 0.000) 11.123 9.007 ( -6.025 0.000 0.000) 6.025 9.212 ( 14.650 0.000 0.000) 14.650 9.280 ( 1.975 0.000 0.000) 1.975 10.082 ( 11.567 0.000 0.000) 11.567 10.153 ( -12.880 0.000 0.000) 12.880 10.218 ( 9.472 0.000 0.000) 9.472 10.357 ( 7.551 0.000 0.000) 7.551 10.983 ( 10.270 0.000 0.000) 10.270 11.385 ( -32.799 0.000 0.000) 32.799 11.474 ( -9.019 0.000 0.000) 9.019 11.815 ( -10.037 0.000 0.000) 10.037 12.364 ( -17.401 0.000 0.000) 17.401 12.591 ( -3.958 0.000 0.000) 3.958 12.890 ( -35.448 0.000 0.000) 35.448 13.267 ( -15.886 0.000 0.000) 15.886 13.305 ( -18.659 0.000 0.000) 18.659 14.328 ( 17.617 0.000 0.000) 17.617 14.402 ( 16.901 0.000 0.000) 16.901 14.622 ( 23.799 0.000 0.000) 23.799 14.623 ( 8.256 0.000 0.000) 8.256 14.754 ( 0.478 0.000 0.000) 0.478 14.903 ( 2.367 0.000 0.000) 2.367 15.138 ( -2.678 0.000 0.000) 2.678 15.146 ( -1.983 0.000 0.000) 1.983 15.208 ( -9.602 0.000 0.000) 9.602 15.543 ( 0.013 0.000 0.000) 0.013 15.706 ( -1.035 0.000 0.000) 1.035 15.997 ( -13.884 0.000 0.000) 13.884 22.710 ( 20.411 0.000 0.000) 20.411 22.722 ( 3.018 0.000 0.000) 3.018 22.871 ( -1.444 0.000 0.000) 1.444 23.824 ( -8.977 0.000 0.000) 8.977 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 18.603 0.000 0.000) 18.603 3.249 ( -14.591 0.000 0.000) 14.591 3.384 ( 28.371 0.000 0.000) 28.371 3.913 ( -22.736 0.000 0.000) 22.736 4.012 ( 15.327 0.000 0.000) 15.327 4.125 ( 9.459 0.000 0.000) 9.459 4.269 ( -0.904 0.000 0.000) 0.904 4.351 ( -17.433 0.000 0.000) 17.433 4.757 ( -1.340 0.000 0.000) 1.340 4.889 ( 13.863 0.000 0.000) 13.863 4.895 ( -11.706 0.000 0.000) 11.706 5.089 ( -1.920 0.000 0.000) 1.920 5.474 ( 4.083 0.000 0.000) 4.083 5.539 ( -2.269 0.000 0.000) 2.269 6.089 ( 37.270 0.000 0.000) 37.270 6.526 ( 1.983 0.000 0.000) 1.983 6.712 ( 28.268 0.000 0.000) 28.268 6.731 ( 4.431 0.000 0.000) 4.431 6.906 ( 9.064 0.000 0.000) 9.064 7.084 ( -27.490 0.000 0.000) 27.490 7.343 ( 10.285 0.000 0.000) 10.285 7.344 ( 1.140 0.000 0.000) 1.140 7.566 ( -10.543 0.000 0.000) 10.543 7.623 ( -9.549 0.000 0.000) 9.549 8.349 ( 46.465 0.000 0.000) 46.465 8.902 ( 0.896 0.000 0.000) 0.896 8.950 ( -2.015 0.000 0.000) 2.015 9.141 ( -5.925 0.000 0.000) 5.925 9.467 ( 16.438 0.000 0.000) 16.438 9.541 ( 15.847 0.000 0.000) 15.847 9.652 ( 47.281 0.000 0.000) 47.281 9.843 ( -18.183 0.000 0.000) 18.183 9.885 ( -1.299 0.000 0.000) 1.299 10.228 ( 0.721 0.000 0.000) 0.721 10.485 ( 8.568 0.000 0.000) 8.568 10.693 ( -33.701 0.000 0.000) 33.701 10.929 ( -15.638 0.000 0.000) 15.638 11.246 ( -32.904 0.000 0.000) 32.904 12.024 ( 42.403 0.000 0.000) 42.403 12.215 ( -5.210 0.000 0.000) 5.210 12.252 ( -16.229 0.000 0.000) 16.229 12.692 ( 12.290 0.000 0.000) 12.290 12.791 ( -30.900 0.000 0.000) 30.900 12.983 ( -14.931 0.000 0.000) 14.931 14.670 ( 14.983 0.000 0.000) 14.983 14.731 ( 14.818 0.000 0.000) 14.818 14.750 ( 3.189 0.000 0.000) 3.189 14.778 ( 1.852 0.000 0.000) 1.852 14.964 ( 2.178 0.000 0.000) 2.178 14.976 ( -5.928 0.000 0.000) 5.928 14.981 ( -10.596 0.000 0.000) 10.596 15.071 ( -5.025 0.000 0.000) 5.025 15.118 ( 17.338 0.000 0.000) 17.338 15.460 ( -10.919 0.000 0.000) 10.919 15.696 ( 0.223 0.000 0.000) 0.223 15.751 ( -7.302 0.000 0.000) 7.302 22.782 ( 2.841 0.000 0.000) 2.841 22.834 ( -2.193 0.000 0.000) 2.193 23.152 ( 21.832 0.000 0.000) 21.832 23.557 ( -16.979 0.000 0.000) 16.979 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 37.921 0.000) 37.921 0.944 ( 0.000 44.555 0.000) 44.555 1.725 ( 0.000 29.695 0.000) 29.695 1.744 ( 0.000 90.631 0.000) 90.631 2.272 ( 0.000 17.155 0.000) 17.155 2.565 ( 0.000 -6.542 0.000) 6.542 2.748 ( 0.000 -6.666 0.000) 6.666 3.963 ( 0.000 12.724 0.000) 12.724 4.427 ( 0.000 -12.542 0.000) 12.542 4.523 ( 0.000 44.334 0.000) 44.334 4.846 ( 0.000 8.005 0.000) 8.005 4.904 ( 0.000 -0.253 0.000) 0.253 5.110 ( 0.000 1.519 0.000) 1.519 5.297 ( 0.000 9.901 0.000) 9.901 5.598 ( 0.000 9.911 0.000) 9.911 5.778 ( 0.000 5.178 0.000) 5.178 5.879 ( 0.000 -6.632 0.000) 6.632 5.894 ( 0.000 -0.941 0.000) 0.941 5.995 ( 0.000 5.026 0.000) 5.026 6.370 ( 0.000 -2.357 0.000) 2.357 6.688 ( 0.000 -1.187 0.000) 1.187 6.746 ( 0.000 0.370 0.000) 0.370 6.945 ( 0.000 -7.074 0.000) 7.074 7.385 ( 0.000 -8.101 0.000) 8.101 7.632 ( 0.000 4.591 0.000) 4.591 7.758 ( 0.000 1.511 0.000) 1.511 8.164 ( 0.000 -9.874 0.000) 9.874 8.569 ( 0.000 13.832 0.000) 13.832 8.790 ( 0.000 -2.171 0.000) 2.171 8.865 ( 0.000 -16.017 0.000) 16.017 9.373 ( 0.000 -10.172 0.000) 10.172 10.056 ( 0.000 4.839 0.000) 4.839 10.212 ( 0.000 -6.464 0.000) 6.464 10.253 ( 0.000 -4.496 0.000) 4.496 10.671 ( 0.000 -12.298 0.000) 12.298 10.790 ( 0.000 17.650 0.000) 17.650 11.086 ( 0.000 4.492 0.000) 4.492 12.068 ( 0.000 0.433 0.000) 0.433 12.609 ( 0.000 -11.569 0.000) 11.569 12.695 ( 0.000 -27.070 0.000) 27.070 13.448 ( 0.000 10.352 0.000) 10.352 13.499 ( 0.000 -4.549 0.000) 4.549 13.510 ( 0.000 5.426 0.000) 5.426 13.584 ( 0.000 13.840 0.000) 13.840 14.136 ( 0.000 15.363 0.000) 15.363 14.338 ( 0.000 6.047 0.000) 6.047 14.374 ( 0.000 -3.830 0.000) 3.830 14.418 ( 0.000 -5.314 0.000) 5.314 14.449 ( 0.000 -5.885 0.000) 5.885 14.814 ( 0.000 1.932 0.000) 1.932 14.960 ( 0.000 5.734 0.000) 5.734 14.988 ( 0.000 -2.029 0.000) 2.029 15.256 ( 0.000 -2.551 0.000) 2.551 15.428 ( 0.000 -2.641 0.000) 2.641 15.758 ( 0.000 -3.875 0.000) 3.875 16.327 ( 0.000 -16.501 0.000) 16.501 22.147 ( 0.000 6.670 0.000) 6.670 22.918 ( 0.000 -3.025 0.000) 3.025 22.942 ( 0.000 3.386 0.000) 3.386 23.869 ( 0.000 -7.063 0.000) 7.063 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 36.503 26.298 0.000) 44.990 1.357 ( 31.903 26.658 0.000) 41.575 2.457 ( 57.056 58.926 0.000) 82.022 2.728 ( 36.788 16.035 0.000) 40.131 2.796 ( 79.639 12.257 0.000) 80.576 3.209 ( 29.223 -16.072 0.000) 33.351 3.256 ( 42.549 -5.994 0.000) 42.969 4.051 ( 8.249 13.892 0.000) 16.156 4.422 ( -7.806 24.454 0.000) 25.670 4.677 ( -10.740 21.965 0.000) 24.450 4.682 ( 16.647 -9.322 0.000) 19.080 4.839 ( -2.923 9.037 0.000) 9.498 5.080 ( -5.179 2.722 0.000) 5.851 5.591 ( 11.475 10.015 0.000) 15.231 5.643 ( 0.343 13.019 0.000) 13.023 5.760 ( -5.884 -2.827 0.000) 6.528 5.969 ( 14.023 -0.803 0.000) 14.046 6.048 ( 14.917 -0.136 0.000) 14.918 6.126 ( 9.458 4.393 0.000) 10.428 6.430 ( 7.633 -0.320 0.000) 7.639 6.492 ( -6.741 2.592 0.000) 7.222 6.773 ( 3.905 2.936 0.000) 4.885 7.111 ( 16.214 -7.487 0.000) 17.859 7.399 ( 0.738 -6.556 0.000) 6.598 7.639 ( 2.811 -6.834 0.000) 7.390 8.057 ( 29.430 3.662 0.000) 29.657 8.154 ( -1.082 -10.167 0.000) 10.224 8.661 ( 8.647 13.047 0.000) 15.652 8.704 ( -4.563 4.234 0.000) 6.224 8.962 ( 10.635 -8.974 0.000) 13.915 9.285 ( -8.351 -8.485 0.000) 11.905 9.857 ( -17.558 5.946 0.000) 18.538 10.129 ( -3.381 -4.237 0.000) 5.421 10.397 ( 9.807 -5.528 0.000) 11.258 10.593 ( -7.123 -1.726 0.000) 7.329 10.727 ( -5.030 16.723 0.000) 17.463 11.236 ( 12.792 -5.422 0.000) 13.894 12.230 ( -0.861 -16.907 0.000) 16.929 12.444 ( -15.287 -7.826 0.000) 17.174 12.643 ( -5.831 -21.328 0.000) 22.111 13.317 ( -5.315 -4.069 0.000) 6.694 13.524 ( -1.759 -3.369 0.000) 3.801 13.639 ( 1.460 12.748 0.000) 12.831 13.733 ( 6.721 4.874 0.000) 8.302 13.976 ( -8.605 0.567 0.000) 8.624 13.979 ( -3.400 17.505 0.000) 17.832 14.292 ( -14.935 -5.968 0.000) 16.084 14.382 ( 3.780 5.898 0.000) 7.006 14.784 ( 9.836 -4.870 0.000) 10.975 14.834 ( 1.843 2.170 0.000) 2.847 14.909 ( 2.061 3.452 0.000) 4.021 15.076 ( 4.548 -0.107 0.000) 4.549 15.350 ( 2.829 -6.762 0.000) 7.330 15.460 ( 2.431 -2.863 0.000) 3.756 15.742 ( -1.502 -3.758 0.000) 4.047 16.269 ( -5.399 -15.917 0.000) 16.808 22.198 ( 5.291 5.380 0.000) 7.546 22.710 ( -8.357 3.825 0.000) 9.191 22.939 ( -0.294 3.505 0.000) 3.517 23.877 ( 0.479 -7.051 0.000) 7.068 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 32.022 14.621 0.000) 35.202 2.115 ( 37.124 13.927 0.000) 39.651 3.350 ( 26.131 0.197 0.000) 26.131 3.676 ( 30.590 10.123 0.000) 32.222 3.745 ( 2.576 3.355 0.000) 4.230 3.807 ( 50.583 28.988 0.000) 58.300 4.152 ( 18.604 -3.902 0.000) 19.009 4.381 ( -3.398 23.216 0.000) 23.464 4.514 ( 41.715 1.332 0.000) 41.736 4.637 ( -9.553 2.838 0.000) 9.965 4.667 ( 26.350 11.713 0.000) 28.836 4.975 ( -2.193 1.860 0.000) 2.876 5.140 ( 20.292 8.923 0.000) 22.168 5.503 ( -9.895 0.235 0.000) 9.897 5.593 ( 1.947 6.965 0.000) 7.232 5.806 ( 12.017 14.749 0.000) 19.025 6.241 ( 10.778 -2.782 0.000) 11.132 6.294 ( 13.859 5.104 0.000) 14.769 6.345 ( 7.614 1.816 0.000) 7.828 6.545 ( 8.516 26.975 0.000) 28.288 6.814 ( 28.093 6.845 0.000) 28.914 6.951 ( 14.897 3.043 0.000) 15.205 7.314 ( 0.175 -8.208 0.000) 8.210 7.642 ( 14.307 -9.256 0.000) 17.040 7.783 ( 22.827 -7.924 0.000) 24.163 8.116 ( -2.330 -11.872 0.000) 12.099 8.725 ( 6.841 7.837 0.000) 10.403 8.893 ( 12.676 13.144 0.000) 18.261 8.920 ( 36.217 -13.593 0.000) 38.684 9.047 ( -15.058 -2.937 0.000) 15.342 9.233 ( 27.801 -0.465 0.000) 27.805 9.432 ( -20.810 10.143 0.000) 23.151 10.110 ( 2.484 -1.041 0.000) 2.693 10.413 ( -10.017 2.948 0.000) 10.441 10.588 ( -8.247 13.707 0.000) 15.996 10.644 ( 13.769 -5.456 0.000) 14.811 11.523 ( 12.979 -12.800 0.000) 18.229 11.945 ( -24.020 -7.557 0.000) 25.181 12.009 ( -25.419 -1.211 0.000) 25.448 12.508 ( -6.898 -17.784 0.000) 19.075 12.973 ( -30.340 -4.360 0.000) 30.651 13.346 ( -14.299 -0.986 0.000) 14.333 13.447 ( -6.815 -4.786 0.000) 8.328 13.799 ( -30.186 -5.425 0.000) 30.670 14.019 ( 17.839 4.272 0.000) 18.343 14.113 ( 12.359 5.895 0.000) 13.693 14.164 ( 16.208 5.353 0.000) 17.069 14.508 ( 7.635 5.737 0.000) 9.550 14.804 ( -1.027 3.150 0.000) 3.313 14.883 ( 2.724 2.789 0.000) 3.898 15.065 ( 6.172 -3.502 0.000) 7.096 15.149 ( 2.324 -0.066 0.000) 2.325 15.339 ( -3.461 -2.777 0.000) 4.438 15.494 ( 0.927 -3.030 0.000) 3.169 15.705 ( -1.902 -3.525 0.000) 4.005 16.114 ( -9.699 -14.243 0.000) 17.232 22.376 ( 12.393 2.305 0.000) 12.606 22.651 ( 0.908 -1.289 0.000) 1.577 22.928 ( -0.853 3.634 0.000) 3.732 23.867 ( -2.141 -6.883 0.000) 7.208 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 26.342 13.219 0.000) 29.473 2.798 ( 29.227 5.918 0.000) 29.820 3.671 ( -3.300 7.178 0.000) 7.900 3.710 ( 12.752 -1.604 0.000) 12.852 4.120 ( 11.110 -6.354 0.000) 12.799 4.139 ( -11.550 13.031 0.000) 17.413 4.356 ( -9.744 11.713 0.000) 15.236 4.447 ( 10.863 -9.317 0.000) 14.311 4.589 ( 13.579 -0.487 0.000) 13.588 4.646 ( -10.792 -2.692 0.000) 11.123 4.878 ( -9.970 -3.950 0.000) 10.724 5.172 ( 2.050 2.222 0.000) 3.023 5.574 ( 29.393 8.248 0.000) 30.528 5.718 ( 6.957 23.342 0.000) 24.357 5.746 ( 27.608 27.757 0.000) 39.149 6.280 ( 22.346 0.121 0.000) 22.347 6.436 ( 8.309 16.255 0.000) 18.256 6.608 ( 20.249 7.294 0.000) 21.523 6.692 ( 4.563 18.441 0.000) 18.998 6.832 ( 40.046 8.570 0.000) 40.953 7.235 ( 20.068 14.315 0.000) 24.650 7.318 ( 0.919 -3.155 0.000) 3.286 7.503 ( 17.095 -5.701 0.000) 18.021 7.717 ( -0.737 -4.970 0.000) 5.024 8.203 ( 16.914 -8.318 0.000) 18.849 8.533 ( 39.861 -8.341 0.000) 40.725 8.668 ( -11.923 12.531 0.000) 17.297 8.907 ( 8.202 4.495 0.000) 9.353 9.011 ( -3.016 4.046 0.000) 5.046 9.139 ( 4.751 -12.328 0.000) 13.212 9.323 ( 13.998 9.375 0.000) 16.848 10.059 ( 18.439 -1.465 0.000) 18.497 10.189 ( -11.993 4.066 0.000) 12.664 10.330 ( 19.519 1.481 0.000) 19.575 10.398 ( -8.158 11.701 0.000) 14.264 10.910 ( 8.812 -7.296 0.000) 11.440 11.342 ( -31.049 -5.111 0.000) 31.467 11.476 ( -7.808 -0.355 0.000) 7.816 11.745 ( -7.051 -7.500 0.000) 10.295 12.291 ( -18.185 -7.376 0.000) 19.623 12.456 ( -6.524 -12.140 0.000) 13.782 12.861 ( -35.918 -2.897 0.000) 36.035 13.228 ( -20.425 -7.732 0.000) 21.839 13.237 ( -15.902 -6.165 0.000) 17.055 14.388 ( 17.546 4.573 0.000) 18.132 14.411 ( 15.518 1.406 0.000) 15.581 14.542 ( 19.901 -4.017 0.000) 20.302 14.671 ( 7.779 4.689 0.000) 9.083 14.801 ( 0.722 4.529 0.000) 4.586 14.934 ( 2.147 3.024 0.000) 3.709 15.101 ( -2.544 -3.449 0.000) 4.286 15.167 ( -0.324 1.034 0.000) 1.083 15.219 ( -8.067 1.087 0.000) 8.140 15.495 ( -1.431 -5.495 0.000) 5.678 15.673 ( -1.067 -3.465 0.000) 3.626 15.887 ( -11.767 -10.727 0.000) 15.922 22.678 ( 10.531 -2.267 0.000) 10.772 22.727 ( 12.158 -0.259 0.000) 12.161 22.901 ( -1.830 3.253 0.000) 3.732 23.763 ( -8.537 -6.269 0.000) 10.591 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 19.559 15.091 0.000) 24.704 3.272 ( 12.617 1.176 0.000) 12.672 3.599 ( -1.494 17.463 0.000) 17.526 3.833 ( -9.658 -5.260 0.000) 10.998 4.036 ( 3.689 -9.680 0.000) 10.359 4.102 ( 1.453 5.487 0.000) 5.676 4.184 ( -5.289 -9.993 0.000) 11.306 4.344 ( -14.670 0.679 0.000) 14.685 4.647 ( 6.269 -14.612 0.000) 15.900 4.710 ( -1.118 -11.395 0.000) 11.450 4.833 ( 6.773 -1.698 0.000) 6.982 5.021 ( -11.084 4.404 0.000) 11.927 5.855 ( 6.400 29.925 0.000) 30.601 5.955 ( -1.268 29.303 0.000) 29.331 6.298 ( 33.678 22.949 0.000) 40.753 6.574 ( 8.085 3.327 0.000) 8.743 6.709 ( -0.322 -0.180 0.000) 0.369 6.832 ( -4.779 -0.113 0.000) 4.780 6.941 ( 29.430 21.964 0.000) 36.723 7.263 ( -6.226 12.639 0.000) 14.090 7.361 ( 4.785 3.808 0.000) 6.116 7.404 ( 6.765 6.562 0.000) 9.425 7.635 ( -6.755 1.708 0.000) 6.968 7.721 ( -12.575 17.139 0.000) 21.257 8.409 ( 40.273 6.134 0.000) 40.738 8.871 ( 4.042 -3.017 0.000) 5.043 8.906 ( -4.397 -4.856 0.000) 6.551 9.146 ( 1.818 -0.407 0.000) 1.863 9.350 ( 23.438 -9.742 0.000) 25.382 9.356 ( 13.257 -7.161 0.000) 15.067 9.820 ( 36.967 1.920 0.000) 37.017 9.917 ( -14.670 3.216 0.000) 15.019 9.950 ( -6.235 11.318 0.000) 12.921 10.248 ( -6.220 2.898 0.000) 6.862 10.534 ( 9.038 5.031 0.000) 10.344 10.676 ( -30.343 -0.934 0.000) 30.357 10.914 ( -9.242 -1.424 0.000) 9.351 11.253 ( -30.881 0.195 0.000) 30.881 11.930 ( 27.312 -8.593 0.000) 28.632 12.080 ( -6.522 -12.519 0.000) 14.115 12.238 ( -6.251 -2.705 0.000) 6.811 12.562 ( 11.880 -12.142 0.000) 16.987 12.775 ( -28.451 -4.893 0.000) 28.868 12.877 ( -15.957 -10.785 0.000) 19.260 14.712 ( 12.971 -1.411 0.000) 13.048 14.718 ( 14.248 3.786 0.000) 14.743 14.799 ( 4.362 4.424 0.000) 6.213 14.821 ( 0.816 4.307 0.000) 4.384 14.907 ( 11.874 -7.590 0.000) 14.092 14.965 ( -0.524 -0.113 0.000) 0.536 14.979 ( -8.129 -2.939 0.000) 8.644 15.023 ( -9.529 4.254 0.000) 10.435 15.172 ( 3.733 1.424 0.000) 3.995 15.380 ( -10.930 -8.175 0.000) 13.649 15.663 ( 0.111 -3.561 0.000) 3.563 15.700 ( -4.861 -4.843 0.000) 6.862 22.778 ( 4.019 -0.220 0.000) 4.025 22.851 ( -3.064 1.939 0.000) 3.626 23.124 ( 20.675 -2.969 0.000) 20.887 23.509 ( -16.198 -4.985 0.000) 16.947 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 25.003 0.000) 25.003 1.599 ( 0.000 25.322 0.000) 25.322 2.406 ( 0.000 -9.450 0.000) 9.450 2.464 ( 0.000 43.767 0.000) 43.767 2.553 ( 0.000 -13.714 0.000) 13.714 2.763 ( 0.000 32.980 0.000) 32.980 3.375 ( 0.000 81.636 0.000) 81.636 3.986 ( 0.000 -5.151 0.000) 5.151 4.159 ( 0.000 -15.334 0.000) 15.334 4.899 ( 0.000 0.086 0.000) 0.086 5.047 ( 0.000 12.429 0.000) 12.429 5.118 ( 0.000 -1.936 0.000) 1.936 5.174 ( 0.000 11.588 0.000) 11.588 5.484 ( 0.000 9.718 0.000) 9.718 5.713 ( 0.000 -10.123 0.000) 10.123 5.750 ( 0.000 -1.295 0.000) 1.295 5.864 ( 0.000 -2.512 0.000) 2.512 5.987 ( 0.000 7.177 0.000) 7.177 6.306 ( 0.000 -4.362 0.000) 4.362 6.445 ( 0.000 45.030 0.000) 45.030 6.519 ( 0.000 -21.269 0.000) 21.269 6.842 ( 0.000 -0.705 0.000) 0.705 7.009 ( 0.000 42.943 0.000) 42.943 7.215 ( 0.000 -9.683 0.000) 9.683 7.710 ( 0.000 3.581 0.000) 3.581 7.792 ( 0.000 1.593 0.000) 1.593 7.879 ( 0.000 -19.928 0.000) 19.928 8.556 ( 0.000 -13.462 0.000) 13.462 8.716 ( 0.000 -5.957 0.000) 5.957 8.908 ( 0.000 21.298 0.000) 21.298 9.230 ( 0.000 -5.150 0.000) 5.150 10.045 ( 0.000 -6.134 0.000) 6.134 10.084 ( 0.000 -5.704 0.000) 5.704 10.173 ( 0.000 -4.367 0.000) 4.367 10.390 ( 0.000 -15.781 0.000) 15.781 11.157 ( 0.000 20.393 0.000) 20.393 11.176 ( 0.000 -0.823 0.000) 0.823 12.017 ( 0.000 -38.444 0.000) 38.444 12.029 ( 0.000 -5.683 0.000) 5.683 12.351 ( 0.000 -15.203 0.000) 15.203 13.505 ( 0.000 6.236 0.000) 6.236 13.644 ( 0.000 8.519 0.000) 8.519 13.669 ( 0.000 12.243 0.000) 12.243 13.897 ( 0.000 16.618 0.000) 16.618 14.268 ( 0.000 -10.671 0.000) 10.671 14.292 ( 0.000 -3.128 0.000) 3.128 14.311 ( 0.000 -8.514 0.000) 8.514 14.469 ( 0.000 18.956 0.000) 18.956 14.491 ( 0.000 10.367 0.000) 10.367 14.850 ( 0.000 1.150 0.000) 1.150 14.905 ( 0.000 -7.189 0.000) 7.189 15.105 ( 0.000 9.305 0.000) 9.305 15.199 ( 0.000 -2.866 0.000) 2.866 15.359 ( 0.000 -4.564 0.000) 4.564 15.652 ( 0.000 -7.333 0.000) 7.333 15.909 ( 0.000 -26.564 0.000) 26.564 22.312 ( 0.000 10.250 0.000) 10.250 22.833 ( 0.000 -6.002 0.000) 6.002 23.041 ( 0.000 7.233 0.000) 7.233 23.686 ( 0.000 -11.890 0.000) 11.890 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 23.536 24.895 0.000) 34.260 1.868 ( 29.917 27.622 0.000) 40.718 2.810 ( 28.034 -8.005 0.000) 29.154 3.035 ( 40.426 -8.175 0.000) 41.244 3.153 ( 57.641 16.045 0.000) 59.832 3.213 ( 29.480 21.316 0.000) 36.379 3.785 ( 38.661 69.658 0.000) 79.667 4.070 ( 8.491 -4.697 0.000) 9.703 4.432 ( 18.404 -15.566 0.000) 24.104 4.796 ( -16.377 16.923 0.000) 23.549 4.942 ( 4.734 3.835 0.000) 6.093 5.126 ( -5.386 1.325 0.000) 5.547 5.139 ( -4.983 11.491 0.000) 12.525 5.614 ( -5.954 -6.757 0.000) 9.006 5.722 ( 13.978 4.417 0.000) 14.659 5.863 ( 7.480 -8.447 0.000) 11.283 6.040 ( 20.951 -1.652 0.000) 21.016 6.114 ( 8.428 6.782 0.000) 10.818 6.404 ( 10.940 -2.411 0.000) 11.203 6.480 ( 2.455 -7.646 0.000) 8.030 6.482 ( 4.580 41.827 0.000) 42.077 6.977 ( 15.698 -6.877 0.000) 17.139 7.112 ( 9.703 45.199 0.000) 46.229 7.232 ( 1.499 -9.519 0.000) 9.636 7.567 ( -5.507 0.692 0.000) 5.551 7.887 ( 0.332 -17.718 0.000) 17.721 8.073 ( 21.333 -3.973 0.000) 21.700 8.674 ( 11.366 -5.107 0.000) 12.460 8.824 ( 9.018 -3.868 0.000) 9.812 8.936 ( 1.767 12.782 0.000) 12.904 9.217 ( -0.088 3.586 0.000) 3.587 9.880 ( -12.562 -2.501 0.000) 12.809 10.059 ( -0.389 -2.593 0.000) 2.622 10.275 ( 8.206 -6.877 0.000) 10.706 10.491 ( 5.020 -10.581 0.000) 11.711 11.090 ( -6.208 20.469 0.000) 21.390 11.159 ( -0.300 -5.198 0.000) 5.207 11.998 ( -4.713 -10.246 0.000) 11.278 12.023 ( 0.321 -36.444 0.000) 36.445 12.261 ( -9.554 -14.332 0.000) 17.225 13.308 ( -16.823 3.095 0.000) 17.105 13.499 ( -2.508 2.809 0.000) 3.766 13.678 ( -23.061 -5.457 0.000) 23.698 13.961 ( 10.759 15.731 0.000) 19.058 14.121 ( -14.518 -9.772 0.000) 17.501 14.122 ( 7.764 14.080 0.000) 16.079 14.359 ( -7.681 20.004 0.000) 21.428 14.532 ( 4.131 9.352 0.000) 10.224 14.660 ( 13.418 -8.117 0.000) 15.682 14.875 ( 2.344 1.423 0.000) 2.742 14.917 ( 1.583 -4.771 0.000) 5.027 15.125 ( 1.756 6.765 0.000) 6.989 15.253 ( 3.284 -3.462 0.000) 4.772 15.379 ( 1.540 -5.813 0.000) 6.013 15.639 ( -1.226 -7.130 0.000) 7.234 15.868 ( -3.698 -25.103 0.000) 25.374 22.332 ( 2.414 8.343 0.000) 8.685 22.716 ( -7.966 -2.603 0.000) 8.380 23.041 ( -0.050 7.425 0.000) 7.425 23.694 ( 0.511 -11.914 0.000) 11.924 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 26.853 23.005 0.000) 35.360 2.468 ( 28.303 22.353 0.000) 36.066 3.325 ( 21.622 -4.435 0.000) 22.072 3.645 ( 10.718 -12.104 0.000) 16.167 3.721 ( 19.718 6.455 0.000) 20.748 4.084 ( 16.053 -1.951 0.000) 16.171 4.370 ( 10.340 -7.528 0.000) 12.790 4.535 ( -3.293 -9.114 0.000) 9.691 4.727 ( 18.968 11.064 0.000) 21.959 4.732 ( 31.632 45.522 0.000) 55.433 4.959 ( -8.076 -2.296 0.000) 8.396 5.002 ( -6.444 12.051 0.000) 13.665 5.092 ( 15.566 1.162 0.000) 15.609 5.680 ( 19.853 3.493 0.000) 20.158 5.848 ( 12.014 22.823 0.000) 25.792 6.065 ( 14.374 -6.799 0.000) 15.901 6.312 ( 14.649 11.453 0.000) 18.595 6.366 ( 7.952 0.824 0.000) 7.995 6.648 ( 14.237 37.055 0.000) 39.696 6.791 ( 25.894 -5.556 0.000) 26.484 6.997 ( 34.956 4.140 0.000) 35.201 7.184 ( 0.917 5.558 0.000) 5.633 7.372 ( 14.620 44.210 0.000) 46.565 7.497 ( 3.831 -12.800 0.000) 13.361 7.540 ( 26.295 -7.107 0.000) 27.238 7.877 ( -0.964 -12.728 0.000) 12.764 8.590 ( 20.912 -20.607 0.000) 29.359 8.915 ( -4.264 -2.330 0.000) 4.859 8.917 ( 9.800 11.808 0.000) 15.345 9.220 ( 36.956 -0.593 0.000) 36.961 9.300 ( 8.921 18.892 0.000) 20.893 9.587 ( -16.043 8.688 0.000) 18.244 10.104 ( 5.424 0.438 0.000) 5.442 10.479 ( -6.301 1.581 0.000) 6.496 10.483 ( 11.695 -9.810 0.000) 15.265 10.921 ( -9.937 19.194 0.000) 21.614 11.218 ( 5.205 -19.324 0.000) 20.013 11.782 ( -16.642 -9.616 0.000) 19.221 11.929 ( -20.066 -7.792 0.000) 21.525 12.030 ( -1.835 -31.721 0.000) 31.774 12.896 ( -27.261 -2.665 0.000) 27.391 13.232 ( -15.218 -14.112 0.000) 20.754 13.312 ( -16.495 -1.377 0.000) 16.553 13.660 ( -29.932 -8.999 0.000) 31.256 14.190 ( 11.804 13.151 0.000) 17.672 14.312 ( 4.144 14.884 0.000) 15.450 14.355 ( 12.788 12.962 0.000) 18.208 14.645 ( 6.558 8.333 0.000) 10.604 14.826 ( 3.808 -2.985 0.000) 4.838 14.937 ( 3.300 1.987 0.000) 3.852 14.985 ( 4.179 -4.971 0.000) 6.494 15.162 ( 1.407 3.049 0.000) 3.358 15.290 ( 0.236 -2.034 0.000) 2.048 15.385 ( -1.708 -9.116 0.000) 9.275 15.607 ( -1.666 -6.741 0.000) 6.944 15.773 ( -5.327 -19.595 0.000) 20.306 22.436 ( 8.286 3.808 0.000) 9.119 22.620 ( -0.640 -2.002 0.000) 2.102 23.033 ( -0.902 7.620 0.000) 7.673 23.687 ( -1.738 -11.719 0.000) 11.847 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 23.626 17.684 0.000) 29.511 2.979 ( 20.558 12.618 0.000) 24.121 3.658 ( -0.468 -6.245 0.000) 6.262 3.672 ( 11.580 -2.157 0.000) 11.779 3.993 ( 6.317 -6.925 0.000) 9.373 4.209 ( -13.800 -4.382 0.000) 14.479 4.286 ( 5.525 -7.454 0.000) 9.278 4.296 ( -15.556 -12.724 0.000) 20.097 4.711 ( -7.648 5.394 0.000) 9.358 4.713 ( -14.244 7.196 0.000) 15.958 4.824 ( -4.998 -0.061 0.000) 4.999 5.092 ( 2.151 -7.836 0.000) 8.126 5.927 ( 37.707 27.276 0.000) 46.538 6.210 ( 18.790 13.311 0.000) 23.027 6.316 ( 11.082 5.001 0.000) 12.158 6.351 ( 33.260 33.432 0.000) 47.159 6.504 ( 9.633 -0.321 0.000) 9.638 6.828 ( 22.067 14.940 0.000) 26.649 7.122 ( -2.362 2.504 0.000) 3.442 7.181 ( 44.790 25.557 0.000) 51.569 7.390 ( 17.342 -2.992 0.000) 17.598 7.446 ( 4.635 16.879 0.000) 17.504 7.653 ( 15.802 10.309 0.000) 18.867 7.667 ( 12.912 35.333 0.000) 37.619 8.031 ( 30.215 -9.684 0.000) 31.729 8.288 ( 40.196 -18.227 0.000) 44.135 8.789 ( -8.109 1.123 0.000) 8.187 8.809 ( 4.113 -15.334 0.000) 15.876 9.128 ( 11.102 14.283 0.000) 18.090 9.248 ( -14.889 17.896 0.000) 23.280 9.543 ( 13.543 16.033 0.000) 20.987 10.028 ( 25.667 -2.260 0.000) 25.767 10.295 ( -10.020 5.664 0.000) 11.510 10.307 ( 13.052 -1.958 0.000) 13.198 10.641 ( -4.450 1.427 0.000) 4.673 10.776 ( 3.428 3.236 0.000) 4.714 11.158 ( -18.562 -15.792 0.000) 24.370 11.434 ( -7.882 -4.702 0.000) 9.178 11.545 ( -11.864 -12.687 0.000) 17.370 12.020 ( 0.427 -22.437 0.000) 22.441 12.297 ( -25.635 -2.232 0.000) 25.732 12.796 ( -36.075 -3.326 0.000) 36.228 12.959 ( -15.239 -21.740 0.000) 26.549 13.042 ( -24.947 -11.056 0.000) 27.287 14.442 ( 12.894 4.528 0.000) 13.666 14.477 ( 10.427 6.143 0.000) 12.102 14.624 ( 13.304 9.718 0.000) 16.475 14.781 ( 6.312 6.520 0.000) 9.075 14.874 ( 1.308 0.155 0.000) 1.317 14.990 ( 1.270 1.860 0.000) 2.252 15.035 ( 0.270 -2.037 0.000) 2.055 15.171 ( -0.398 0.362 0.000) 0.538 15.254 ( -4.179 3.032 0.000) 5.163 15.307 ( -5.322 -14.851 0.000) 15.776 15.578 ( -1.140 -6.659 0.000) 6.756 15.664 ( -4.894 -11.015 0.000) 12.053 22.644 ( 8.266 -0.962 0.000) 8.322 22.710 ( 12.313 -1.442 0.000) 12.397 22.997 ( -2.848 6.961 0.000) 7.522 23.599 ( -7.368 -10.738 0.000) 13.023 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( 11.139 1.151 0.000) 11.198 3.324 ( 12.874 7.527 0.000) 14.913 3.752 ( 6.539 -12.734 0.000) 14.315 3.753 ( -3.684 -4.857 0.000) 6.097 3.891 ( -12.779 7.262 0.000) 14.699 3.907 ( -6.614 -11.234 0.000) 13.037 4.198 ( 4.971 0.925 0.000) 5.056 4.370 ( -7.123 -5.026 0.000) 8.718 4.462 ( -0.206 2.004 0.000) 2.014 4.571 ( -6.725 -1.678 0.000) 6.931 4.841 ( 6.167 -1.316 0.000) 6.306 5.005 ( -8.086 -6.030 0.000) 10.087 6.362 ( 6.755 14.521 0.000) 16.016 6.370 ( 3.298 16.599 0.000) 16.923 6.574 ( 8.906 -1.861 0.000) 9.099 6.597 ( 6.814 0.483 0.000) 6.831 6.991 ( 7.941 30.488 0.000) 31.505 7.081 ( 2.858 21.667 0.000) 21.855 7.257 ( 15.674 10.931 0.000) 19.109 7.375 ( -5.406 2.259 0.000) 5.859 7.572 ( 15.456 5.484 0.000) 16.400 7.768 ( 3.558 31.038 0.000) 31.241 7.907 ( 10.344 39.554 0.000) 40.884 8.162 ( 10.006 27.815 0.000) 29.560 8.562 ( 13.375 9.424 0.000) 16.361 8.760 ( -0.276 -10.789 0.000) 10.792 8.799 ( 17.193 -4.627 0.000) 17.805 9.075 ( 18.454 -7.976 0.000) 20.104 9.258 ( 18.285 2.671 0.000) 18.480 9.323 ( 6.486 6.404 0.000) 9.115 9.803 ( 11.958 -1.052 0.000) 12.004 9.947 ( -19.482 2.112 0.000) 19.596 10.098 ( -10.793 -0.233 0.000) 10.795 10.262 ( -19.478 -3.247 0.000) 19.746 10.680 ( 18.496 7.318 0.000) 19.891 10.737 ( -8.942 8.786 0.000) 12.536 10.875 ( -1.747 -1.457 0.000) 2.275 11.202 ( -24.094 -7.655 0.000) 25.281 11.736 ( 18.511 -12.267 0.000) 22.206 11.841 ( -9.072 -9.950 0.000) 13.465 12.137 ( -10.666 -6.687 0.000) 12.589 12.262 ( 13.639 -19.453 0.000) 23.758 12.542 ( -25.705 -19.357 0.000) 32.178 12.609 ( -19.077 -16.546 0.000) 25.253 14.693 ( 9.783 -0.292 0.000) 9.788 14.706 ( 12.117 -3.841 0.000) 12.711 14.853 ( -1.031 -2.263 0.000) 2.486 14.874 ( 6.292 3.655 0.000) 7.277 14.879 ( 1.707 1.625 0.000) 2.357 14.952 ( -5.049 -0.260 0.000) 5.056 15.020 ( 0.570 8.385 0.000) 8.404 15.133 ( -7.040 7.272 0.000) 10.122 15.164 ( 0.071 -1.980 0.000) 1.982 15.198 ( -4.161 -9.164 0.000) 10.064 15.565 ( 0.084 -6.702 0.000) 6.702 15.589 ( -2.372 -6.814 0.000) 7.215 22.787 ( 6.802 1.503 0.000) 6.966 22.914 ( -5.292 4.818 0.000) 7.157 23.045 ( 17.718 -5.220 0.000) 18.471 23.379 ( -14.099 -8.563 0.000) 16.495 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.000 21.873 0.000) 21.873 1.965 ( 0.000 15.371 0.000) 15.371 2.212 ( 0.000 -11.371 0.000) 11.371 2.245 ( 0.000 -18.700 0.000) 18.700 3.235 ( 0.000 36.103 0.000) 36.103 3.380 ( 0.000 29.793 0.000) 29.793 3.766 ( 0.000 -19.632 0.000) 19.632 3.840 ( 0.000 -19.594 0.000) 19.594 4.783 ( 0.000 67.043 0.000) 67.043 4.928 ( 0.000 3.536 0.000) 3.536 5.031 ( 0.000 -6.295 0.000) 6.295 5.256 ( 0.000 6.951 0.000) 6.951 5.262 ( 0.000 2.645 0.000) 2.645 5.558 ( 0.000 -3.344 0.000) 3.344 5.641 ( 0.000 -8.226 0.000) 8.226 5.659 ( 0.000 8.655 0.000) 8.655 5.775 ( 0.000 -12.181 0.000) 12.181 5.886 ( 0.000 -40.372 0.000) 40.372 6.099 ( 0.000 5.975 0.000) 5.975 6.210 ( 0.000 -5.679 0.000) 5.679 6.895 ( 0.000 5.545 0.000) 5.545 6.995 ( 0.000 23.878 0.000) 23.878 7.036 ( 0.000 -8.973 0.000) 8.973 7.452 ( 0.000 -24.362 0.000) 24.362 7.765 ( 0.000 2.358 0.000) 2.358 7.798 ( 0.000 -0.986 0.000) 0.986 8.323 ( 0.000 70.037 0.000) 70.037 8.447 ( 0.000 2.022 0.000) 2.022 8.569 ( 0.000 -8.821 0.000) 8.821 9.092 ( 0.000 -14.969 0.000) 14.969 9.367 ( 0.000 29.006 0.000) 29.006 9.859 ( 0.000 -14.277 0.000) 14.277 10.034 ( 0.000 0.637 0.000) 0.637 10.088 ( 0.000 -4.296 0.000) 4.296 10.167 ( 0.000 -3.927 0.000) 3.927 10.597 ( 0.000 -50.292 0.000) 50.292 11.530 ( 0.000 18.728 0.000) 18.728 11.784 ( 0.000 10.035 0.000) 10.035 11.842 ( 0.000 -13.855 0.000) 13.855 12.054 ( 0.000 -16.044 0.000) 16.044 13.720 ( 0.000 15.268 0.000) 15.268 13.814 ( 0.000 8.857 0.000) 8.857 13.876 ( 0.000 7.406 0.000) 7.406 14.020 ( 0.000 -15.338 0.000) 15.338 14.025 ( 0.000 -1.203 0.000) 1.203 14.137 ( 0.000 -9.604 0.000) 9.604 14.417 ( 0.000 15.782 0.000) 15.782 14.674 ( 0.000 9.501 0.000) 9.501 14.710 ( 0.000 -13.581 0.000) 13.581 14.819 ( 0.000 -5.091 0.000) 5.091 14.879 ( 0.000 23.729 0.000) 23.729 15.180 ( 0.000 0.654 0.000) 0.654 15.268 ( 0.000 -4.635 0.000) 4.635 15.295 ( 0.000 10.547 0.000) 10.547 15.388 ( 0.000 -26.748 0.000) 26.748 15.489 ( 0.000 -9.771 0.000) 9.771 22.511 ( 0.000 10.497 0.000) 10.497 22.694 ( 0.000 -8.699 0.000) 8.699 23.214 ( 0.000 11.025 0.000) 11.025 23.445 ( 0.000 -13.125 0.000) 13.125 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 25.525 18.786 0.000) 31.693 2.344 ( 33.630 23.070 0.000) 40.783 2.581 ( 28.389 -14.406 0.000) 31.835 2.739 ( 37.381 -18.875 0.000) 41.876 3.567 ( 31.267 21.915 0.000) 38.183 3.687 ( 19.550 24.868 0.000) 31.633 3.906 ( 13.827 -13.332 0.000) 19.207 4.100 ( 16.769 -19.131 0.000) 25.440 4.999 ( 15.545 33.964 0.000) 37.352 5.030 ( 7.918 20.323 0.000) 21.811 5.089 ( -12.496 12.556 0.000) 17.714 5.120 ( 4.809 5.867 0.000) 7.586 5.211 ( -5.202 -0.949 0.000) 5.288 5.529 ( -0.137 -0.402 0.000) 0.424 5.650 ( 2.493 -11.635 0.000) 11.899 5.773 ( 12.154 -4.310 0.000) 12.895 5.968 ( 20.600 -5.732 0.000) 21.382 6.079 ( 23.983 -28.433 0.000) 37.197 6.211 ( 9.492 5.339 0.000) 10.890 6.316 ( 10.411 -5.597 0.000) 11.820 6.946 ( 6.406 3.842 0.000) 7.469 7.051 ( 5.314 24.173 0.000) 24.751 7.067 ( 3.149 -8.050 0.000) 8.644 7.488 ( 3.168 -22.038 0.000) 22.265 7.674 ( -2.178 9.835 0.000) 10.073 7.897 ( 8.081 -12.595 0.000) 14.965 8.373 ( 4.140 63.217 0.000) 63.352 8.658 ( 19.142 3.327 0.000) 19.429 8.747 ( 15.289 -4.983 0.000) 16.081 8.994 ( -6.808 -8.090 0.000) 10.573 9.490 ( 8.995 24.570 0.000) 26.165 9.840 ( -0.620 -2.053 0.000) 2.145 10.058 ( 2.651 2.773 0.000) 3.837 10.149 ( 5.477 -6.239 0.000) 8.302 10.248 ( 6.484 -10.470 0.000) 12.315 10.614 ( 1.356 -48.977 0.000) 48.995 11.463 ( -6.449 18.677 0.000) 19.759 11.730 ( -4.907 7.227 0.000) 8.736 11.775 ( -6.593 -14.205 0.000) 15.661 11.977 ( -7.693 -15.505 0.000) 17.309 13.409 ( -23.514 6.906 0.000) 24.507 13.549 ( -26.032 -7.570 0.000) 27.111 13.643 ( -8.403 11.730 0.000) 14.429 13.893 ( -12.914 -13.612 0.000) 18.764 14.232 ( 13.619 13.010 0.000) 18.835 14.398 ( 10.973 5.995 0.000) 12.504 14.517 ( 9.315 0.413 0.000) 9.324 14.710 ( 3.412 9.105 0.000) 9.723 14.746 ( 3.500 -12.618 0.000) 13.095 14.770 ( -7.609 23.014 0.000) 24.240 14.849 ( 2.646 -4.501 0.000) 5.221 15.174 ( -4.161 -13.942 0.000) 14.550 15.273 ( 3.332 1.018 0.000) 3.484 15.293 ( -0.217 10.025 0.000) 10.028 15.428 ( 2.905 -16.911 0.000) 17.159 15.480 ( -0.832 -9.503 0.000) 9.539 22.492 ( -1.105 8.270 0.000) 8.344 22.631 ( -4.724 -6.207 0.000) 7.800 23.218 ( 0.242 11.211 0.000) 11.213 23.452 ( 0.450 -13.233 0.000) 13.240 ======================= Grid point 29 (18/100) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 26.134 20.910 0.000) 33.470 2.912 ( 21.763 23.880 0.000) 32.309 3.156 ( 25.871 -13.542 0.000) 29.201 3.333 ( 16.960 -20.234 0.000) 26.402 3.928 ( 3.830 14.648 0.000) 15.140 4.099 ( 9.795 3.698 0.000) 10.470 4.215 ( 7.116 -8.049 0.000) 10.743 4.241 ( -4.034 -17.770 0.000) 18.222 4.939 ( -0.548 10.664 0.000) 10.678 4.946 ( -9.498 1.038 0.000) 9.555 4.976 ( -7.620 -1.353 0.000) 7.739 5.078 ( -7.435 -2.728 0.000) 7.920 5.728 ( 39.206 40.911 0.000) 56.664 5.759 ( 26.975 5.503 0.000) 27.531 5.896 ( 24.864 -8.885 0.000) 26.404 6.161 ( 23.727 1.171 0.000) 23.756 6.391 ( 17.352 8.821 0.000) 19.466 6.483 ( 19.309 8.621 0.000) 21.146 6.646 ( 23.553 -8.449 0.000) 25.023 6.768 ( 31.880 -21.342 0.000) 38.364 7.189 ( 14.081 -7.888 0.000) 16.140 7.207 ( 10.276 22.432 0.000) 24.673 7.214 ( 15.053 -5.591 0.000) 16.057 7.571 ( 5.153 -16.707 0.000) 17.484 7.779 ( 14.269 21.080 0.000) 25.455 8.183 ( 18.152 -21.851 0.000) 28.407 8.453 ( 2.901 47.325 0.000) 47.414 8.864 ( -5.640 -5.511 0.000) 7.885 9.119 ( 21.382 8.153 0.000) 22.884 9.205 ( 33.144 -1.730 0.000) 33.189 9.656 ( 6.139 27.397 0.000) 28.077 9.874 ( 4.246 18.375 0.000) 18.859 10.148 ( 6.231 5.045 0.000) 8.017 10.294 ( 8.205 -9.695 0.000) 12.701 10.359 ( 2.218 -13.499 0.000) 13.680 10.637 ( 0.957 -45.708 0.000) 45.718 11.276 ( -11.507 17.826 0.000) 21.217 11.571 ( -13.307 -13.305 0.000) 18.817 11.613 ( -5.814 -3.775 0.000) 6.932 11.737 ( -15.169 -11.358 0.000) 18.950 12.901 ( -26.729 3.307 0.000) 26.932 13.014 ( -24.349 -8.679 0.000) 25.849 13.338 ( -21.756 4.738 0.000) 22.266 13.480 ( -27.335 -9.451 0.000) 28.922 14.452 ( 8.237 13.623 0.000) 15.919 14.606 ( 10.254 11.440 0.000) 15.363 14.653 ( -2.815 20.864 0.000) 21.053 14.693 ( 6.445 -8.334 0.000) 10.536 14.802 ( 5.107 7.873 0.000) 9.384 14.845 ( 5.952 -10.123 0.000) 11.743 14.920 ( 3.816 -4.072 0.000) 5.580 15.066 ( -5.393 -21.241 0.000) 21.915 15.284 ( -0.789 8.830 0.000) 8.865 15.337 ( 2.101 4.685 0.000) 5.134 15.457 ( -1.360 -8.993 0.000) 9.095 15.481 ( 1.789 -10.749 0.000) 10.897 22.510 ( 3.750 3.815 0.000) 5.349 22.574 ( 0.442 -2.924 0.000) 2.957 23.213 ( -1.028 11.337 0.000) 11.383 23.448 ( -1.311 -13.178 0.000) 13.244 ======================= Grid point 30 (19/100) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 9.627 14.208 0.000) 17.163 3.274 ( 16.143 18.846 0.000) 24.815 3.486 ( 1.357 -11.490 0.000) 11.570 3.576 ( 12.719 -11.079 0.000) 16.867 3.907 ( -3.876 1.265 0.000) 4.077 4.048 ( -8.122 -11.857 0.000) 14.372 4.134 ( -6.464 -1.640 0.000) 6.669 4.168 ( 1.565 -4.766 0.000) 5.017 4.779 ( -6.806 3.091 0.000) 7.475 4.823 ( -6.142 -1.178 0.000) 6.254 4.833 ( -11.218 5.763 0.000) 12.612 4.948 ( -5.071 -6.840 0.000) 8.515 6.312 ( 19.114 3.393 0.000) 19.413 6.345 ( 17.565 13.936 0.000) 22.422 6.362 ( 13.806 -1.182 0.000) 13.856 6.478 ( 7.150 -2.457 0.000) 7.560 6.994 ( 40.591 27.504 0.000) 49.031 7.078 ( 27.668 11.311 0.000) 29.890 7.150 ( 12.770 5.752 0.000) 14.006 7.251 ( 22.798 -6.986 0.000) 23.845 7.387 ( 5.928 -2.240 0.000) 6.338 7.604 ( 36.746 14.811 0.000) 39.619 7.804 ( 37.195 -28.820 0.000) 47.054 7.838 ( 32.407 -10.820 0.000) 34.166 8.189 ( 21.783 22.457 0.000) 31.287 8.471 ( -1.205 32.583 0.000) 32.605 8.523 ( 14.584 -14.947 0.000) 20.884 8.762 ( -4.533 -4.811 0.000) 6.610 9.535 ( 17.244 26.265 0.000) 31.419 9.715 ( -1.408 38.264 0.000) 38.290 9.924 ( 31.518 -11.599 0.000) 33.585 9.953 ( 0.567 25.276 0.000) 25.283 10.274 ( -9.965 -11.596 0.000) 15.290 10.292 ( 4.650 1.690 0.000) 4.948 10.429 ( 1.805 -13.036 0.000) 13.161 10.647 ( -0.985 -41.295 0.000) 41.306 11.039 ( -8.739 15.326 0.000) 17.643 11.289 ( -9.582 -10.760 0.000) 14.408 11.381 ( -14.322 -0.060 0.000) 14.322 11.580 ( 1.167 -19.577 0.000) 19.612 12.346 ( -25.865 7.110 0.000) 26.825 12.568 ( -20.415 -16.936 0.000) 26.526 12.766 ( -34.278 1.038 0.000) 34.294 12.853 ( -30.282 -8.029 0.000) 31.329 14.586 ( 5.427 9.689 0.000) 11.106 14.653 ( 2.146 12.613 0.000) 12.794 14.768 ( 1.889 -8.608 0.000) 8.813 14.818 ( 9.498 9.615 0.000) 13.515 14.883 ( 0.218 -0.299 0.000) 0.370 14.957 ( 0.071 -6.017 0.000) 6.018 14.976 ( 6.450 -6.250 0.000) 8.981 15.020 ( 2.629 -8.607 0.000) 9.000 15.256 ( -1.912 8.392 0.000) 8.607 15.347 ( -1.301 6.599 0.000) 6.726 15.428 ( -1.344 -9.003 0.000) 9.103 15.488 ( -1.098 -8.260 0.000) 8.333 22.646 ( 8.407 1.072 0.000) 8.475 22.677 ( 10.206 -1.930 0.000) 10.387 23.162 ( -4.245 10.468 0.000) 11.296 23.379 ( -5.823 -12.155 0.000) 13.478 ======================= Grid point 31 (20/100) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.339 ( 3.531 4.752 0.000) 5.920 3.419 ( -1.211 4.731 0.000) 4.883 3.493 ( 0.077 -11.711 0.000) 11.711 3.559 ( -7.869 -10.666 0.000) 13.255 3.933 ( 7.906 8.545 0.000) 11.642 4.050 ( -2.579 8.526 0.000) 8.908 4.112 ( 8.252 -8.800 0.000) 12.063 4.212 ( -0.115 -8.787 0.000) 8.788 4.620 ( -6.553 10.809 0.000) 12.640 4.635 ( -6.182 6.812 0.000) 9.199 4.767 ( 0.415 -6.159 0.000) 6.173 4.832 ( -5.451 -11.154 0.000) 12.414 6.522 ( 3.517 3.013 0.000) 4.631 6.530 ( 2.859 4.418 0.000) 5.263 6.549 ( 5.728 -0.821 0.000) 5.787 6.576 ( 2.609 -1.501 0.000) 3.010 7.294 ( 6.428 8.951 0.000) 11.020 7.353 ( 4.017 7.088 0.000) 8.148 7.406 ( 0.945 0.398 0.000) 1.026 7.433 ( 0.680 -3.691 0.000) 3.753 7.886 ( 34.235 32.270 0.000) 47.047 8.305 ( -4.619 20.698 0.000) 21.207 8.418 ( 17.022 -17.260 0.000) 24.241 8.557 ( 13.077 -2.109 0.000) 13.246 8.620 ( 19.814 16.952 0.000) 26.076 8.686 ( 26.164 9.306 0.000) 27.770 8.771 ( 23.806 2.322 0.000) 23.919 8.879 ( 21.978 -11.324 0.000) 24.724 9.593 ( -2.021 27.580 0.000) 27.654 9.721 ( -2.722 35.198 0.000) 35.303 9.834 ( -13.873 1.957 0.000) 14.011 10.024 ( -6.920 5.815 0.000) 9.039 10.030 ( -23.531 6.323 0.000) 24.366 10.151 ( -19.510 -6.847 0.000) 20.677 10.466 ( 13.342 -27.632 0.000) 30.684 10.626 ( -1.752 -32.496 0.000) 32.544 11.067 ( 9.396 17.498 0.000) 19.861 11.209 ( -3.818 18.416 0.000) 18.808 11.430 ( 18.467 -19.799 0.000) 27.075 11.641 ( -0.771 -20.838 0.000) 20.853 11.974 ( -4.680 -0.390 0.000) 4.696 12.104 ( -23.771 5.179 0.000) 24.328 12.170 ( -15.944 -17.006 0.000) 23.311 12.304 ( -22.378 -14.655 0.000) 26.750 14.691 ( 5.096 2.295 0.000) 5.589 14.713 ( 3.159 2.782 0.000) 4.209 14.767 ( -1.548 -5.062 0.000) 5.294 14.802 ( -5.376 -6.263 0.000) 8.253 14.980 ( 5.169 6.082 0.000) 7.982 15.006 ( 2.011 3.933 0.000) 4.418 15.079 ( 2.347 -4.190 0.000) 4.803 15.084 ( 3.023 -4.403 0.000) 5.341 15.225 ( 0.116 10.318 0.000) 10.319 15.286 ( -4.218 8.654 0.000) 9.627 15.414 ( 0.349 -9.272 0.000) 9.279 15.447 ( -2.441 -8.198 0.000) 8.554 22.841 ( 10.215 4.224 0.000) 11.053 22.938 ( 13.965 -5.791 0.000) 15.118 23.035 ( -8.178 7.968 0.000) 11.418 23.204 ( -11.244 -9.615 0.000) 14.794 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.000 0.000 46.019) 46.019 1.037 ( 0.000 0.000 47.421) 47.421 1.790 ( 0.000 0.000 83.274) 83.274 2.571 ( 0.000 0.000 31.294) 31.294 3.011 ( 0.000 0.000 67.242) 67.242 3.022 ( 0.000 0.000 15.339) 15.339 3.665 ( 0.000 0.000 4.489) 4.489 3.683 ( 0.000 0.000 28.985) 28.985 4.399 ( 0.000 0.000 12.529) 12.529 4.439 ( 0.000 0.000 -6.390) 6.390 4.842 ( 0.000 0.000 12.381) 12.381 4.879 ( 0.000 0.000 -0.826) 0.826 5.105 ( 0.000 0.000 0.122) 0.122 5.315 ( 0.000 0.000 -17.687) 17.687 5.338 ( 0.000 0.000 5.504) 5.504 5.845 ( 0.000 0.000 10.538) 10.538 5.913 ( 0.000 0.000 -2.805) 2.805 5.956 ( 0.000 0.000 8.541) 8.541 6.134 ( 0.000 0.000 -8.508) 8.508 6.276 ( 0.000 0.000 26.186) 26.186 6.591 ( 0.000 0.000 -5.641) 5.641 6.898 ( 0.000 0.000 10.839) 10.839 7.300 ( 0.000 0.000 -16.190) 16.190 7.354 ( 0.000 0.000 34.304) 34.304 7.723 ( 0.000 0.000 5.568) 5.568 7.752 ( 0.000 0.000 -0.198) 0.198 8.316 ( 0.000 0.000 4.052) 4.052 8.542 ( 0.000 0.000 -19.619) 19.619 8.542 ( 0.000 0.000 10.553) 10.553 9.188 ( 0.000 0.000 12.506) 12.506 9.396 ( 0.000 0.000 7.743) 7.743 9.903 ( 0.000 0.000 -5.624) 5.624 10.214 ( 0.000 0.000 -9.129) 9.129 10.339 ( 0.000 0.000 5.963) 5.963 10.397 ( 0.000 0.000 -16.667) 16.667 10.886 ( 0.000 0.000 7.599) 7.599 11.065 ( 0.000 0.000 8.163) 8.163 12.300 ( 0.000 0.000 0.181) 0.181 12.422 ( 0.000 0.000 -23.014) 23.014 12.571 ( 0.000 0.000 -15.527) 15.527 13.245 ( 0.000 0.000 -8.644) 8.644 13.563 ( 0.000 0.000 10.661) 10.661 13.566 ( 0.000 0.000 6.485) 6.485 13.681 ( 0.000 0.000 8.913) 8.913 13.822 ( 0.000 0.000 -31.737) 31.737 14.228 ( 0.000 0.000 -2.740) 2.740 14.335 ( 0.000 0.000 -15.276) 15.276 14.688 ( 0.000 0.000 7.326) 7.326 14.782 ( 0.000 0.000 -1.168) 1.168 14.906 ( 0.000 0.000 17.411) 17.411 14.944 ( 0.000 0.000 3.656) 3.656 15.048 ( 0.000 0.000 3.718) 3.718 15.310 ( 0.000 0.000 2.889) 2.889 15.468 ( 0.000 0.000 1.099) 1.099 15.469 ( 0.000 0.000 -2.629) 2.629 16.434 ( 0.000 0.000 -5.141) 5.141 22.155 ( 0.000 0.000 7.156) 7.156 22.626 ( 0.000 0.000 0.978) 0.978 22.903 ( 0.000 0.000 -0.726) 0.726 23.944 ( 0.000 0.000 0.406) 0.406 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 29.738 0.000 27.275) 40.352 1.496 ( 30.112 0.000 29.368) 42.062 2.401 ( 52.275 0.000 55.747) 76.423 2.574 ( 23.539 0.000 33.534) 40.971 2.677 ( 18.320 0.000 11.853) 21.820 3.335 ( 20.107 0.000 4.402) 20.583 3.704 ( 6.183 0.000 11.069) 12.679 3.855 ( 13.318 0.000 17.003) 21.598 4.343 ( -11.041 0.000 -8.207) 13.757 4.430 ( 3.756 0.000 11.298) 11.906 4.732 ( -10.341 0.000 7.303) 12.660 4.850 ( 4.167 0.000 4.112) 5.855 5.059 ( -5.238 0.000 -2.464) 5.789 5.296 ( 3.741 0.000 -16.432) 16.852 5.475 ( 11.133 0.000 1.703) 11.263 5.800 ( -9.018 0.000 -0.900) 9.063 6.040 ( 18.751 0.000 7.486) 20.191 6.089 ( 11.089 0.000 6.277) 12.743 6.293 ( -8.263 0.000 -6.659) 10.612 6.363 ( 7.827 0.000 24.640) 25.853 6.552 ( 10.372 0.000 -4.923) 11.481 6.799 ( -8.659 0.000 8.567) 12.181 7.276 ( -2.322 0.000 -14.672) 14.855 7.514 ( 16.580 0.000 21.340) 27.024 7.784 ( 3.369 0.000 1.010) 3.517 8.206 ( 44.845 0.000 23.745) 50.743 8.312 ( -1.195 0.000 4.049) 4.222 8.624 ( 2.953 0.000 -13.103) 13.432 8.628 ( 8.028 0.000 10.119) 12.916 9.040 ( 0.384 0.000 13.339) 13.344 9.507 ( -0.011 0.000 5.201) 5.201 9.660 ( -21.278 0.000 -7.805) 22.664 10.175 ( -3.009 0.000 -3.826) 4.867 10.411 ( -0.208 0.000 -11.806) 11.808 10.419 ( 7.445 0.000 0.176) 7.447 10.670 ( -12.402 0.000 5.684) 13.642 11.374 ( 19.701 0.000 7.904) 21.228 11.993 ( -32.278 0.000 -34.420) 47.187 12.531 ( 7.537 0.000 -14.765) 16.578 12.560 ( -7.563 0.000 -6.728) 10.122 13.256 ( -2.339 0.000 -9.783) 10.059 13.584 ( 6.857 0.000 11.239) 13.165 13.649 ( -2.763 0.000 10.619) 10.972 13.729 ( -7.178 0.000 -26.484) 27.439 13.770 ( 11.514 0.000 7.808) 13.912 13.980 ( -21.908 0.000 -16.488) 27.419 14.246 ( 1.631 0.000 -5.227) 5.475 14.340 ( -9.485 0.000 22.498) 24.416 14.781 ( 0.109 0.000 -2.644) 2.646 14.909 ( -1.791 0.000 6.061) 6.320 15.109 ( 4.163 0.000 2.660) 4.940 15.206 ( 15.104 0.000 17.573) 23.172 15.441 ( -2.825 0.000 -2.338) 3.667 15.467 ( 0.476 0.000 -0.947) 1.060 15.581 ( 8.883 0.000 -8.281) 12.144 16.371 ( -5.578 0.000 -5.030) 7.511 22.218 ( 6.309 0.000 6.955) 9.390 22.719 ( 4.208 0.000 3.912) 5.746 22.878 ( -2.287 0.000 -2.660) 3.508 23.938 ( -0.802 0.000 -0.826) 1.152 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 28.905 0.000 10.705) 30.824 2.136 ( 31.293 0.000 11.617) 33.380 3.273 ( 31.756 0.000 -7.068) 32.533 3.482 ( 48.023 0.000 3.994) 48.189 3.560 ( 2.358 0.000 -2.605) 3.513 3.864 ( 62.334 0.000 -8.223) 62.874 3.918 ( 17.206 0.000 7.351) 18.711 4.109 ( 0.941 0.000 -10.341) 10.384 4.245 ( 19.401 0.000 -0.615) 19.411 4.525 ( -10.414 0.000 0.465) 10.424 4.619 ( 15.887 0.000 2.892) 16.148 4.948 ( 0.585 0.000 -9.977) 9.994 5.049 ( 8.190 0.000 7.755) 11.279 5.421 ( 10.041 0.000 -6.268) 11.837 5.636 ( -0.974 0.000 -2.716) 2.886 5.658 ( 4.354 0.000 -1.530) 4.615 6.021 ( -12.974 0.000 -4.825) 13.842 6.346 ( 12.269 0.000 4.794) 13.172 6.408 ( 9.173 0.000 8.022) 12.186 6.578 ( 12.952 0.000 21.160) 24.810 6.688 ( 7.105 0.000 -1.806) 7.330 6.830 ( 14.763 0.000 -7.726) 16.663 7.229 ( -1.507 0.000 -12.671) 12.760 7.854 ( 2.399 0.000 1.890) 3.054 8.034 ( 32.439 0.000 12.904) 34.911 8.257 ( -3.720 0.000 0.713) 3.787 8.727 ( 8.222 0.000 -3.465) 8.922 8.797 ( 2.261 0.000 7.597) 7.926 9.078 ( 1.000 0.000 7.310) 7.378 9.094 ( -10.857 0.000 -5.340) 12.100 9.445 ( 54.205 0.000 31.433) 62.659 9.456 ( -3.622 0.000 9.181) 9.870 10.131 ( 0.013 0.000 -1.425) 1.425 10.360 ( -4.603 0.000 -6.876) 8.275 10.438 ( -10.899 0.000 4.633) 11.843 10.632 ( 12.777 0.000 -4.744) 13.629 11.235 ( -39.739 0.000 -45.540) 60.440 11.755 ( 15.822 0.000 8.123) 17.785 12.289 ( -17.635 0.000 2.534) 17.816 12.508 ( -6.834 0.000 -17.069) 18.386 12.851 ( -33.303 0.000 -12.949) 35.732 13.358 ( -26.546 0.000 -25.248) 36.636 13.546 ( -7.203 0.000 6.892) 9.969 13.700 ( 0.549 0.000 18.132) 18.141 14.011 ( 13.057 0.000 2.872) 13.370 14.020 ( 19.794 0.000 -3.656) 20.129 14.295 ( 3.544 0.000 -10.325) 10.916 14.384 ( 10.543 0.000 16.384) 19.483 14.777 ( -1.232 0.000 -5.996) 6.122 14.908 ( 2.226 0.000 8.943) 9.216 15.179 ( 2.235 0.000 2.324) 3.224 15.355 ( -5.481 0.000 -1.228) 5.617 15.374 ( 1.297 0.000 10.980) 11.056 15.512 ( 3.150 0.000 4.329) 5.354 15.647 ( 0.014 0.000 -4.475) 4.475 16.215 ( -9.715 0.000 -4.139) 10.560 22.416 ( 13.072 0.000 5.849) 14.321 22.755 ( -0.100 0.000 4.853) 4.854 22.823 ( -2.616 0.000 -5.823) 6.383 23.897 ( -3.677 0.000 -3.415) 5.018 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 22.844 0.000 5.443) 23.483 2.741 ( 27.894 0.000 -0.987) 27.911 3.491 ( -7.334 0.000 -0.582) 7.357 3.712 ( 13.490 0.000 -2.156) 13.661 3.944 ( 1.714 0.000 -6.333) 6.561 4.082 ( 6.393 0.000 -5.242) 8.267 4.273 ( -9.747 0.000 -1.780) 9.908 4.440 ( 13.686 0.000 -11.229) 17.703 4.556 ( 20.594 0.000 -6.630) 21.635 4.820 ( 5.616 0.000 6.372) 8.494 4.843 ( 1.331 0.000 -5.278) 5.443 5.027 ( 11.531 0.000 -0.867) 11.564 5.315 ( 11.106 0.000 4.854) 12.121 5.611 ( 5.124 0.000 -2.618) 5.754 5.692 ( 4.301 0.000 0.081) 4.302 6.032 ( 23.959 0.000 -5.127) 24.501 6.055 ( 37.125 0.000 -25.802) 45.210 6.540 ( 5.785 0.000 2.585) 6.336 6.600 ( 18.127 0.000 2.353) 18.279 6.883 ( 17.647 0.000 15.457) 23.459 7.015 ( 14.416 0.000 -7.632) 16.312 7.135 ( 8.770 0.000 -17.474) 19.551 7.310 ( 16.406 0.000 -13.475) 21.231 7.842 ( -4.598 0.000 3.083) 5.536 8.206 ( -32.360 0.000 -5.223) 32.779 8.230 ( 6.095 0.000 -12.322) 13.747 8.804 ( 23.952 0.000 2.555) 24.088 8.859 ( 1.555 0.000 -5.737) 5.944 9.171 ( 7.995 0.000 14.052) 16.167 9.194 ( 12.219 0.000 -3.505) 12.712 9.408 ( 4.275 0.000 8.142) 9.196 10.163 ( -7.460 0.000 1.877) 7.692 10.185 ( -13.705 0.000 1.820) 13.825 10.220 ( 7.634 0.000 -0.064) 7.634 10.290 ( -16.980 0.000 -14.040) 22.033 10.862 ( 32.067 0.000 0.147) 32.068 10.878 ( 8.314 0.000 -8.099) 11.607 11.756 ( -27.167 0.000 -12.514) 29.911 11.922 ( -12.393 0.000 14.536) 19.102 12.171 ( -13.954 0.000 -21.819) 25.900 12.495 ( -1.984 0.000 1.592) 2.544 12.787 ( -23.525 0.000 -11.291) 26.095 13.369 ( -10.400 0.000 12.429) 16.206 13.543 ( -15.777 0.000 22.328) 27.339 14.273 ( 10.367 0.000 -10.279) 14.599 14.423 ( 10.254 0.000 -6.636) 12.214 14.471 ( 22.206 0.000 2.378) 22.333 14.687 ( 17.924 0.000 8.025) 19.639 14.721 ( -3.972 0.000 -8.868) 9.717 14.989 ( 5.006 0.000 8.919) 10.228 15.173 ( -4.902 0.000 0.214) 4.907 15.238 ( -3.896 0.000 3.454) 5.207 15.340 ( -4.174 0.000 7.759) 8.810 15.503 ( -3.648 0.000 -1.167) 3.830 15.641 ( -0.512 0.000 0.539) 0.744 15.981 ( -12.868 0.000 -2.540) 13.117 22.738 ( -1.033 0.000 -3.425) 3.577 22.744 ( 18.558 0.000 3.083) 18.813 22.779 ( -1.785 0.000 -5.057) 5.362 23.769 ( -9.255 0.000 -5.059) 10.548 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 17.736 0.000 3.812) 18.141 3.273 ( -13.478 0.000 1.906) 13.612 3.287 ( 25.983 0.000 -7.517) 27.048 3.794 ( -22.855 0.000 -9.383) 24.706 3.991 ( 14.761 0.000 -2.615) 14.991 4.068 ( 9.299 0.000 -6.115) 11.129 4.235 ( -4.347 0.000 -4.064) 5.951 4.306 ( -15.023 0.000 -5.012) 15.837 4.810 ( 2.516 0.000 0.021) 2.516 4.873 ( 11.299 0.000 -2.192) 11.510 4.972 ( -10.607 0.000 6.501) 12.440 5.018 ( 0.596 0.000 -5.637) 5.668 5.468 ( 7.574 0.000 2.597) 8.007 5.598 ( -4.716 0.000 4.436) 6.474 6.031 ( 28.901 0.000 -5.011) 29.332 6.502 ( -10.539 0.000 -11.453) 15.564 6.718 ( 28.717 0.000 -1.745) 28.770 6.743 ( 23.502 0.000 1.584) 23.555 6.920 ( 7.345 0.000 -1.326) 7.463 7.158 ( 4.985 0.000 -14.445) 15.281 7.168 ( -10.718 0.000 10.143) 14.757 7.296 ( 3.631 0.000 -3.868) 5.305 7.507 ( 0.484 0.000 -3.371) 3.405 7.661 ( -11.013 0.000 2.859) 11.378 7.809 ( 21.186 0.000 -32.141) 38.495 8.630 ( -39.355 0.000 -48.869) 62.745 8.691 ( 26.634 0.000 -28.874) 39.282 8.864 ( 0.150 0.000 -4.697) 4.699 9.237 ( 10.344 0.000 -5.536) 11.733 9.540 ( 19.140 0.000 2.162) 19.262 9.750 ( -20.029 0.000 -6.769) 21.142 9.869 ( 24.470 0.000 2.394) 24.587 9.881 ( -14.436 0.000 2.148) 14.595 10.349 ( 24.369 0.000 11.943) 27.138 10.396 ( -4.320 0.000 -8.619) 9.641 10.804 ( -5.374 0.000 -7.631) 9.334 10.934 ( -25.312 0.000 13.049) 28.477 11.141 ( -24.583 0.000 -9.166) 26.236 12.007 ( -0.813 0.000 -14.900) 14.922 12.187 ( -16.573 0.000 -9.102) 18.908 12.303 ( 40.433 0.000 24.601) 47.329 12.828 ( 14.175 0.000 13.035) 19.257 13.063 ( -31.166 0.000 23.757) 39.188 13.122 ( -13.668 0.000 14.085) 19.627 14.438 ( 7.211 0.000 -18.681) 20.024 14.570 ( -4.010 0.000 -16.912) 17.380 14.731 ( 11.294 0.000 1.453) 11.387 14.883 ( 17.774 0.000 10.782) 20.789 14.979 ( -10.903 0.000 0.549) 10.917 15.071 ( 18.363 0.000 -1.791) 18.450 15.104 ( 4.376 0.000 8.049) 9.162 15.184 ( -3.080 0.000 6.489) 7.183 15.185 ( -11.171 0.000 13.609) 17.606 15.378 ( -9.920 0.000 -5.992) 11.589 15.636 ( 0.982 0.000 -2.799) 2.966 15.733 ( -9.464 0.000 -2.528) 9.796 22.729 ( 0.283 0.000 -7.520) 7.525 22.747 ( -1.357 0.000 -6.506) 6.646 23.143 ( 19.729 0.000 -0.877) 19.748 23.513 ( -15.768 0.000 -4.161) 16.308 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 10.180 27.087) 28.937 1.378 ( 0.000 29.850 34.084) 45.307 2.308 ( 0.000 13.087 35.439) 37.778 2.479 ( 0.000 48.904 60.409) 77.723 2.970 ( 0.000 -5.359 23.288) 23.897 3.099 ( 0.000 6.676 55.460) 55.861 3.296 ( 0.000 -16.610 47.704) 50.513 4.069 ( 0.000 24.119 2.217) 24.221 4.516 ( 0.000 16.816 2.134) 16.951 4.567 ( 0.000 -3.717 -3.789) 5.308 4.814 ( 0.000 0.362 8.698) 8.706 4.988 ( 0.000 12.256 9.139) 15.289 5.217 ( 0.000 9.301 3.182) 9.831 5.393 ( 0.000 13.582 -16.947) 21.718 5.579 ( 0.000 12.838 17.094) 21.378 5.852 ( 0.000 -5.668 1.006) 5.757 5.894 ( 0.000 4.162 6.745) 7.926 6.003 ( 0.000 5.471 15.138) 16.097 6.202 ( 0.000 4.370 -12.895) 13.616 6.223 ( 0.000 -4.549 17.337) 17.924 6.608 ( 0.000 1.894 -0.737) 2.032 6.888 ( 0.000 0.219 10.649) 10.651 7.272 ( 0.000 -8.335 32.911) 33.950 7.274 ( 0.000 -2.377 -10.548) 10.812 7.717 ( 0.000 1.218 7.155) 7.258 7.782 ( 0.000 3.514 1.012) 3.656 8.201 ( 0.000 -12.096 2.200) 12.295 8.522 ( 0.000 -2.176 -19.917) 20.035 8.669 ( 0.000 10.879 10.503) 15.122 9.023 ( 0.000 -13.702 12.638) 18.640 9.401 ( 0.000 -0.691 4.597) 4.649 9.931 ( 0.000 -0.023 -7.600) 7.600 10.100 ( 0.000 -6.555 -12.555) 14.163 10.358 ( 0.000 1.347 9.327) 9.424 10.656 ( 0.000 19.964 -12.006) 23.296 10.784 ( 0.000 -9.989 8.905) 13.382 11.101 ( 0.000 3.027 3.554) 4.669 12.029 ( 0.000 -10.772 -4.157) 11.546 12.467 ( 0.000 -9.967 -13.545) 16.817 12.502 ( 0.000 -9.415 -15.134) 17.824 13.335 ( 0.000 8.369 -11.121) 13.919 13.407 ( 0.000 -9.595 -1.648) 9.736 13.672 ( 0.000 8.815 3.768) 9.587 13.800 ( 0.000 -0.195 -25.514) 25.515 13.856 ( 0.000 6.557 16.778) 18.013 14.198 ( 0.000 -9.955 -12.028) 15.613 14.294 ( 0.000 5.690 0.329) 5.700 14.449 ( 0.000 -2.825 7.896) 8.386 14.800 ( 0.000 1.407 -0.139) 1.414 14.864 ( 0.000 -3.962 16.663) 17.128 14.996 ( 0.000 5.075 3.294) 6.051 15.039 ( 0.000 -2.017 4.137) 4.602 15.285 ( 0.000 -2.453 2.815) 3.734 15.441 ( 0.000 -2.503 1.012) 2.700 15.641 ( 0.000 5.288 -7.007) 8.779 16.282 ( 0.000 -15.614 -4.363) 16.212 22.206 ( 0.000 5.232 5.892) 7.879 22.708 ( 0.000 3.696 -8.390) 9.169 22.936 ( 0.000 3.548 -0.606) 3.600 23.876 ( 0.000 -7.126 0.376) 7.136 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 24.812 8.546 12.315) 28.988 1.698 ( 25.523 18.597 23.234) 39.206 2.553 ( 35.154 12.138 7.798) 37.999 2.873 ( 28.013 34.418 39.777) 59.595 2.999 ( 28.734 25.476 25.546) 46.122 3.376 ( 29.490 2.433 19.272) 35.313 3.625 ( 14.110 -9.895 25.237) 30.560 4.082 ( -0.515 20.055 -2.287) 20.191 4.473 ( -4.181 6.504 2.185) 8.035 4.496 ( -7.905 13.338 -6.843) 16.948 4.807 ( 6.582 -5.165 5.605) 10.071 4.985 ( -0.896 14.631 8.860) 17.128 5.147 ( -3.587 9.712 2.798) 10.725 5.447 ( 4.753 19.871 -13.412) 24.440 5.664 ( -3.221 8.812 -2.549) 9.722 5.769 ( -5.293 4.466 8.104) 10.660 6.074 ( 15.953 1.538 5.736) 17.022 6.154 ( 10.455 4.564 11.940) 16.514 6.207 ( -0.777 -1.575 2.703) 3.224 6.400 ( 10.851 -1.203 3.295) 11.404 6.551 ( 7.011 2.108 2.921) 7.882 6.840 ( -2.478 5.258 8.544) 10.334 7.227 ( -1.339 -2.264 -5.946) 6.502 7.484 ( 15.003 -3.055 21.132) 26.096 7.726 ( 4.081 -5.998 5.554) 9.137 8.197 ( 5.119 -8.682 5.857) 11.657 8.216 ( 33.510 -1.193 15.519) 36.949 8.617 ( 5.508 -0.478 -14.259) 15.293 8.727 ( 6.802 6.134 6.811) 11.413 8.966 ( 0.130 -3.705 11.855) 12.421 9.412 ( -2.205 -5.935 7.756) 10.012 9.781 ( -14.261 6.247 -6.303) 16.797 10.094 ( -1.120 -3.268 -7.998) 8.712 10.361 ( 3.493 -6.663 1.920) 7.764 10.579 ( -8.949 7.695 -5.659) 13.089 10.712 ( -2.352 9.619 2.279) 10.162 11.315 ( 16.043 -5.531 7.697) 18.634 11.866 ( -23.155 -9.645 -27.475) 37.203 12.387 ( 1.784 -11.717 -9.185) 14.994 12.550 ( -5.389 -7.103 -6.949) 11.304 13.239 ( -5.972 -3.595 -7.999) 10.610 13.430 ( -3.474 -6.471 -3.009) 7.937 13.676 ( -4.592 -3.648 -21.003) 21.807 13.795 ( 5.864 10.187 4.306) 12.518 13.868 ( -17.844 -7.800 -6.994) 20.692 13.990 ( 4.709 10.376 4.635) 12.301 14.278 ( -3.826 2.865 14.974) 15.718 14.319 ( -0.043 5.953 -3.209) 6.763 14.805 ( 0.549 2.170 -2.223) 3.155 14.945 ( -1.605 3.148 6.263) 7.191 15.106 ( 4.635 -0.302 3.128) 5.600 15.130 ( 13.833 -6.258 13.922) 20.599 15.363 ( 3.343 -4.581 2.694) 6.278 15.457 ( 0.905 -2.403 -0.037) 2.568 15.642 ( -0.059 1.914 -6.614) 6.886 16.226 ( -5.068 -14.907 -4.219) 16.301 22.258 ( 5.279 4.104 5.880) 8.904 22.713 ( 0.329 -0.935 0.031) 0.991 22.912 ( -2.183 3.692 -2.504) 4.967 23.869 ( -0.814 -7.157 -0.893) 7.258 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 28.485 5.748 0.128) 29.060 2.275 ( 28.245 13.773 10.495) 33.130 3.277 ( 28.256 1.098 -6.580) 29.033 3.658 ( 12.681 5.276 -6.002) 14.989 3.854 ( 33.982 13.848 -14.861) 39.590 3.878 ( 26.178 7.065 4.706) 27.520 4.068 ( 40.158 20.032 14.381) 47.125 4.119 ( 14.008 -1.086 -8.294) 16.315 4.332 ( -0.957 11.662 -6.851) 13.559 4.555 ( 1.766 0.409 5.391) 5.687 4.752 ( 1.258 12.209 0.239) 12.276 5.087 ( 4.564 7.589 0.852) 8.897 5.252 ( 12.658 18.035 3.281) 22.277 5.489 ( -0.102 -9.282 0.675) 9.307 5.607 ( -2.462 21.791 0.065) 21.930 5.643 ( 5.448 7.394 -6.509) 11.257 6.077 ( -3.801 0.543 -7.452) 8.383 6.393 ( 11.954 3.087 1.958) 12.501 6.470 ( 15.744 3.456 10.171) 19.059 6.593 ( 10.046 3.997 11.524) 15.802 6.848 ( 12.599 10.513 -5.472) 17.297 6.923 ( 14.072 16.492 2.727) 21.851 7.193 ( -0.758 -0.666 -6.904) 6.977 7.757 ( 5.083 -8.867 5.461) 11.588 7.993 ( 23.273 -4.078 12.395) 26.682 8.176 ( 3.232 -8.420 5.089) 10.356 8.701 ( 7.840 -0.429 -5.102) 9.364 8.861 ( -0.096 0.217 -0.662) 0.703 9.032 ( 9.208 5.493 8.999) 13.997 9.252 ( -12.968 -0.185 4.983) 13.894 9.290 ( 37.743 -1.789 21.191) 43.322 9.527 ( 9.148 3.610 9.868) 13.932 10.104 ( 4.110 -0.781 -1.378) 4.404 10.361 ( -10.133 -0.869 -3.510) 10.759 10.514 ( 6.029 -3.741 -8.305) 10.923 10.661 ( -0.781 13.111 3.471) 13.585 11.215 ( -35.290 -2.108 -40.185) 53.523 11.660 ( 14.439 -9.654 7.832) 19.053 12.279 ( -16.224 -1.527 4.105) 16.804 12.385 ( -5.535 -13.422 -12.463) 19.134 12.814 ( -33.844 -3.210 -13.712) 36.657 13.282 ( -19.190 -8.482 -10.725) 23.564 13.381 ( -13.580 -9.775 -16.472) 23.480 13.694 ( -0.637 -11.607 9.513) 15.020 14.033 ( 15.811 9.045 4.839) 18.848 14.178 ( 11.080 11.047 4.262) 16.217 14.338 ( 8.447 0.049 12.251) 14.881 14.368 ( 4.500 7.157 -7.712) 11.443 14.820 ( 0.111 4.028 -5.168) 6.554 14.936 ( 1.515 2.796 8.336) 8.922 15.175 ( 2.037 -1.279 1.805) 3.007 15.286 ( 1.224 -3.980 5.087) 6.574 15.400 ( -1.280 -0.613 10.581) 10.676 15.470 ( 1.602 -4.181 0.583) 4.516 15.628 ( -1.178 -2.102 -4.391) 5.009 16.085 ( -8.656 -13.136 -3.199) 16.054 22.430 ( 11.649 1.477 5.078) 12.793 22.718 ( 0.158 -3.505 4.183) 5.460 22.857 ( -2.888 3.768 -6.372) 7.946 23.829 ( -3.564 -7.088 -3.573) 8.701 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 23.653 5.258 -6.147) 24.998 2.809 ( 23.941 7.436 0.886) 25.084 3.585 ( -5.388 5.391 -9.149) 11.908 3.688 ( 13.199 -2.207 -2.409) 13.597 4.040 ( -5.648 5.922 -6.796) 10.638 4.220 ( 1.939 -7.533 3.113) 8.379 4.306 ( -10.464 9.244 -6.058) 15.220 4.404 ( 13.683 -1.931 -7.990) 15.962 4.460 ( 8.122 3.369 -5.687) 10.472 4.756 ( -2.676 -5.687 7.885) 10.084 4.921 ( 1.152 1.622 7.654) 7.908 5.248 ( 14.655 2.877 2.299) 15.110 5.482 ( 8.453 18.134 -3.500) 20.311 5.682 ( 19.703 33.742 -6.092) 39.545 5.783 ( 21.184 1.549 -2.263) 21.361 6.070 ( 23.918 11.298 -21.033) 33.795 6.241 ( 27.706 11.447 -12.355) 32.424 6.612 ( 9.323 6.066 -2.036) 11.308 6.716 ( 11.059 7.889 3.292) 13.978 6.890 ( 20.121 4.348 12.361) 24.012 7.103 ( 7.016 6.300 -13.449) 16.425 7.185 ( 11.947 7.769 -5.206) 15.173 7.342 ( 16.527 6.833 -7.601) 19.432 7.745 ( -6.569 -8.153 0.573) 10.486 8.107 ( 4.556 1.032 -3.749) 5.990 8.541 ( -19.248 19.164 -7.680) 28.226 8.742 ( 25.706 -5.494 4.419) 26.655 8.829 ( 3.330 -2.503 -4.490) 6.125 9.195 ( 11.063 -0.745 8.496) 13.969 9.212 ( 1.092 -0.035 4.241) 4.379 9.383 ( 8.716 2.882 5.911) 10.919 10.053 ( -0.079 -3.570 -2.323) 4.260 10.104 ( -16.978 -5.479 -14.556) 23.025 10.335 ( 3.520 1.223 -2.111) 4.283 10.459 ( -9.772 15.732 3.927) 18.931 10.812 ( 7.770 -4.812 -5.847) 10.850 10.872 ( 27.136 -0.011 -1.732) 27.191 11.701 ( -22.013 -6.277 -7.196) 23.995 11.901 ( -14.443 -3.540 9.139) 17.454 12.126 ( -16.645 -3.129 -19.550) 25.866 12.387 ( 0.538 -11.205 4.213) 11.983 12.719 ( -26.971 -6.339 -12.595) 30.434 13.174 ( -11.529 -15.115 5.937) 19.915 13.554 ( -14.226 -7.222 21.068) 26.427 14.358 ( 10.982 8.327 -8.517) 16.202 14.430 ( 14.052 1.239 -4.171) 14.710 14.521 ( 14.082 5.227 -0.457) 15.028 14.584 ( 12.379 -5.040 5.862) 14.595 14.798 ( -0.892 6.398 -4.974) 8.153 15.005 ( 4.276 1.195 7.692) 8.882 15.164 ( -3.732 -1.085 -0.017) 3.886 15.272 ( -1.240 1.638 4.697) 5.126 15.324 ( -5.418 -1.133 9.065) 10.622 15.450 ( -3.965 -5.823 -1.102) 7.130 15.611 ( -0.731 -3.190 -0.469) 3.307 15.880 ( -11.030 -9.876 -1.681) 14.900 22.705 ( 6.771 -2.893 1.618) 7.539 22.741 ( 9.045 -0.411 -0.635) 9.076 22.807 ( -0.651 3.008 -7.128) 7.764 23.706 ( -8.857 -6.576 -5.317) 12.246 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 17.684 4.612 -11.566) 21.628 3.192 ( 5.621 0.890 -8.175) 9.961 3.495 ( 3.717 8.721 -7.388) 12.019 3.800 ( -12.549 -1.197 -1.699) 12.720 3.993 ( 3.996 -7.118 -3.798) 9.004 4.092 ( 8.027 6.435 -0.856) 10.324 4.189 ( -9.410 -6.445 -0.679) 11.426 4.337 ( -13.159 3.794 -2.032) 13.845 4.622 ( 6.663 -8.776 -3.764) 11.644 4.717 ( -2.564 -14.437 2.059) 14.807 4.990 ( 8.532 0.416 12.943) 15.508 5.182 ( -9.839 7.030 12.143) 17.138 5.749 ( 10.444 24.777 -8.454) 28.186 5.912 ( -4.192 29.550 -8.392) 31.003 6.217 ( 28.226 20.919 -6.908) 35.805 6.568 ( 15.575 -3.880 -12.495) 20.341 6.607 ( -1.177 8.417 -1.872) 8.703 6.856 ( -1.063 -0.255 -0.260) 1.123 7.015 ( 27.932 17.842 4.054) 33.391 7.194 ( 6.602 5.443 -10.954) 13.900 7.272 ( -3.401 5.935 -1.318) 6.966 7.344 ( 10.559 7.053 -2.819) 13.007 7.587 ( -0.539 3.427 -3.373) 4.839 7.721 ( 7.850 10.615 -4.943) 14.097 7.916 ( -0.201 11.483 -23.303) 25.979 8.669 ( -25.853 2.001 -38.648) 46.541 8.703 ( 10.784 2.742 -26.213) 28.477 8.851 ( -0.778 -0.917 -6.227) 6.342 9.172 ( 9.221 -4.486 -4.154) 11.064 9.452 ( 2.491 -6.974 0.427) 7.418 9.790 ( 19.742 3.149 -2.662) 20.168 9.861 ( -2.388 3.163 -4.613) 6.081 9.990 ( 3.976 2.234 4.885) 6.683 10.313 ( -0.169 0.684 2.382) 2.484 10.493 ( 4.176 7.847 -2.387) 9.204 10.818 ( 1.383 1.482 -4.787) 5.198 10.914 ( -26.144 -1.838 11.188) 28.497 11.166 ( -21.284 2.496 -5.975) 22.247 11.867 ( 2.205 -13.054 -11.049) 17.244 12.086 ( -19.087 -9.498 -7.934) 22.748 12.271 ( 32.920 -4.952 16.736) 37.260 12.720 ( 15.128 -11.068 14.885) 23.936 12.870 ( -19.212 -14.786 11.074) 26.653 13.142 ( -23.714 -5.150 22.557) 33.131 14.507 ( 6.238 6.557 -18.090) 20.227 14.615 ( -2.528 4.085 -16.108) 16.809 14.754 ( 11.407 1.184 1.031) 11.515 14.868 ( 15.786 -1.411 11.472) 19.566 14.920 ( 6.260 -4.377 -2.367) 7.996 15.023 ( -1.711 -0.737 2.686) 3.269 15.095 ( -0.972 -0.778 7.389) 7.493 15.169 ( -9.335 -1.661 11.306) 14.756 15.250 ( -0.487 2.984 5.398) 6.187 15.329 ( -7.439 -4.481 -2.284) 8.979 15.602 ( 0.713 -3.468 -3.034) 4.662 15.677 ( -7.317 -5.348 -2.486) 9.398 22.731 ( 0.986 -0.043 -5.373) 5.463 22.758 ( -1.616 1.732 -8.579) 8.900 23.111 ( 18.562 -3.351 -1.256) 18.904 23.461 ( -15.008 -5.356 -4.490) 16.555 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 0.000 23.041 12.551) 26.237 1.953 ( 0.000 28.147 27.084) 39.062 2.692 ( 0.000 18.052 29.084) 34.231 2.782 ( 0.000 -14.318 18.800) 23.631 3.120 ( 0.000 4.801 41.430) 41.707 3.291 ( 0.000 13.628 40.712) 42.932 3.706 ( 0.000 66.847 31.179) 73.761 4.219 ( 0.000 -1.270 13.958) 14.016 4.320 ( 0.000 -17.441 6.936) 18.770 4.791 ( 0.000 8.357 -16.753) 18.722 4.948 ( 0.000 10.484 -1.485) 10.588 5.154 ( 0.000 4.315 7.854) 8.961 5.386 ( 0.000 7.017 10.659) 12.761 5.642 ( 0.000 -4.525 0.009) 4.525 5.773 ( 0.000 -0.920 21.050) 21.070 5.858 ( 0.000 13.415 6.583) 14.943 5.928 ( 0.000 -2.324 0.073) 2.325 5.977 ( 0.000 -6.061 10.176) 11.844 6.246 ( 0.000 0.377 -0.945) 1.017 6.562 ( 0.000 34.999 10.579) 36.563 6.586 ( 0.000 -7.186 6.278) 9.542 7.070 ( 0.000 3.626 19.214) 19.553 7.126 ( 0.000 27.570 17.823) 32.830 7.208 ( 0.000 -4.782 -0.633) 4.823 7.771 ( 0.000 -0.210 5.065) 5.069 7.897 ( 0.000 9.339 5.559) 10.868 7.904 ( 0.000 -14.324 3.234) 14.684 8.455 ( 0.000 -5.157 -19.008) 19.695 8.587 ( 0.000 -16.895 7.693) 18.564 9.095 ( 0.000 20.181 14.608) 24.913 9.387 ( 0.000 -0.758 10.605) 10.632 9.877 ( 0.000 -4.417 -8.142) 9.263 9.980 ( 0.000 -6.568 -12.801) 14.388 10.319 ( 0.000 -6.541 13.612) 15.102 10.559 ( 0.000 -12.464 11.001) 16.624 11.057 ( 0.000 21.750 -9.525) 23.744 11.158 ( 0.000 -0.625 -1.207) 1.359 11.859 ( 0.000 -13.876 -7.480) 15.764 12.076 ( 0.000 -26.602 -3.883) 26.884 12.235 ( 0.000 -14.011 -10.914) 17.760 13.256 ( 0.000 -4.096 -12.269) 12.935 13.508 ( 0.000 8.048 -17.090) 18.890 13.657 ( 0.000 -4.938 -25.552) 26.024 13.912 ( 0.000 2.890 7.963) 8.472 14.019 ( 0.000 18.014 4.899) 18.668 14.117 ( 0.000 -1.099 -9.201) 9.266 14.466 ( 0.000 9.919 -1.899) 10.099 14.565 ( 0.000 13.609 5.670) 14.743 14.730 ( 0.000 -8.358 16.940) 18.890 14.845 ( 0.000 0.747 0.258) 0.790 14.963 ( 0.000 -6.125 4.866) 7.822 15.114 ( 0.000 6.279 0.843) 6.336 15.243 ( 0.000 -0.382 3.824) 3.843 15.375 ( 0.000 -4.372 1.331) 4.571 15.634 ( 0.000 -4.490 -1.661) 4.787 15.887 ( 0.000 -24.877 -2.140) 24.969 22.336 ( 0.000 8.067 2.772) 8.530 22.714 ( 0.000 -2.543 -8.085) 8.476 23.039 ( 0.000 7.425 -0.360) 7.433 23.691 ( 0.000 -12.012 0.228) 12.014 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 26.091 24.476 -3.973) 35.995 2.079 ( 16.049 20.312 17.873) 31.458 2.726 ( 18.483 -0.382 5.967) 19.426 3.198 ( 29.346 6.418 12.861) 32.677 3.353 ( 19.012 4.149 25.719) 32.251 3.528 ( 16.831 9.761 22.710) 29.905 4.014 ( 28.643 52.170 19.718) 62.697 4.233 ( 0.713 2.849 7.499) 8.053 4.513 ( 10.145 -10.314 0.794) 14.489 4.708 ( -12.294 12.169 -6.362) 18.431 4.794 ( 0.111 7.185 -9.503) 11.914 5.181 ( 0.749 7.901 6.923) 10.531 5.303 ( -5.037 5.208 8.455) 11.135 5.553 ( -9.162 -6.435 -4.060) 11.909 5.877 ( 2.168 -0.423 13.697) 13.874 5.950 ( 1.835 -8.880 1.549) 9.199 6.047 ( 12.397 12.127 -0.445) 17.347 6.213 ( 18.066 1.792 9.980) 20.717 6.318 ( 7.334 -1.543 -1.218) 7.593 6.558 ( 6.577 13.649 9.943) 18.122 6.622 ( 5.698 18.154 9.714) 21.363 7.121 ( 1.851 27.092 -1.096) 27.177 7.267 ( 12.044 9.410 14.667) 21.183 7.374 ( 20.125 -5.289 27.379) 34.389 7.666 ( -4.139 5.078 7.978) 10.323 7.908 ( 1.757 -17.663 1.785) 17.840 8.271 ( 28.635 2.170 16.253) 32.997 8.562 ( 11.278 -6.228 -16.395) 20.851 8.667 ( 7.000 -6.006 3.058) 9.717 9.114 ( 1.346 13.941 13.492) 19.448 9.378 ( -0.150 4.161 10.397) 11.200 9.812 ( -6.153 -1.279 -5.344) 8.250 10.049 ( 5.085 -4.580 -12.623) 14.359 10.198 ( -5.671 -7.663 8.362) 12.681 10.620 ( -0.993 -3.348 4.903) 6.020 10.970 ( -2.907 11.050 -5.961) 12.888 11.239 ( 5.423 -0.523 4.223) 6.893 11.707 ( -18.486 -7.676 -21.532) 29.398 11.986 ( -0.195 -30.227 -4.087) 30.503 12.330 ( 1.716 -14.043 0.411) 14.153 13.164 ( -9.477 -2.138 -9.916) 13.882 13.357 ( -11.494 -1.517 -14.063) 18.226 13.541 ( -10.639 -8.853 -17.082) 21.986 13.692 ( -23.360 -8.278 -24.674) 34.971 14.058 ( 7.046 16.614 7.238) 19.444 14.202 ( 9.729 12.619 8.738) 18.173 14.468 ( -0.866 10.125 -1.054) 10.216 14.501 ( -0.644 15.795 6.398) 17.054 14.838 ( 1.699 0.195 -0.815) 1.894 14.954 ( 7.397 -4.348 12.477) 15.143 14.996 ( 6.036 -7.460 6.801) 11.762 15.142 ( 2.669 4.976 2.030) 6.000 15.284 ( 2.664 -2.876 3.071) 4.980 15.387 ( 0.916 -4.816 1.095) 5.023 15.612 ( -2.029 -4.737 -2.160) 5.588 15.854 ( -3.036 -22.987 -1.655) 23.245 22.362 ( 2.840 6.509 3.158) 7.772 22.676 ( -2.604 -3.025 -2.824) 4.889 23.018 ( -1.894 7.658 -2.178) 8.184 23.683 ( -0.892 -12.122 -1.147) 12.209 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 24.542 21.965 -7.711) 33.827 2.599 ( 26.791 18.783 4.799) 33.070 3.264 ( 26.076 -2.762 -6.380) 26.987 3.648 ( 8.233 -12.737 0.850) 15.190 3.831 ( 17.121 5.257 2.391) 18.068 3.961 ( 22.121 -0.959 -0.241) 22.143 4.191 ( 11.683 4.429 -13.741) 18.572 4.411 ( -3.970 3.051 -8.707) 10.044 4.496 ( -8.083 4.912 -6.641) 11.557 4.824 ( 6.534 0.361 -2.805) 7.120 4.895 ( 15.031 27.700 5.628) 32.014 5.127 ( -3.631 4.963 8.486) 10.480 5.355 ( 9.362 1.316 10.247) 13.942 5.504 ( 17.117 6.069 -10.710) 21.084 5.879 ( 5.936 10.246 0.731) 11.864 6.038 ( 10.106 2.710 -2.061) 10.664 6.258 ( 8.165 18.594 -1.279) 20.348 6.393 ( 8.747 2.329 1.836) 9.236 6.584 ( 15.269 -3.568 0.014) 15.680 6.745 ( 10.154 24.091 7.030) 27.073 6.976 ( 14.621 -3.914 -5.355) 16.055 7.224 ( 11.520 25.537 -2.890) 28.164 7.577 ( 15.912 17.911 13.444) 27.472 7.599 ( -2.014 10.455 9.827) 14.489 7.904 ( 28.818 -4.484 25.631) 38.827 7.978 ( 8.238 -7.859 10.279) 15.339 8.654 ( 7.682 -8.420 -4.919) 12.414 8.853 ( 11.077 3.649 0.736) 11.686 9.091 ( 0.546 -0.843 14.508) 14.543 9.202 ( 33.057 3.640 10.336) 34.826 9.466 ( 14.048 14.475 7.997) 21.698 9.609 ( -9.958 4.703 2.367) 11.264 10.120 ( 3.562 1.661 0.970) 4.049 10.228 ( 4.250 -11.399 -14.573) 18.983 10.489 ( -6.388 1.654 -6.702) 9.405 10.939 ( -3.160 9.367 1.445) 9.991 11.178 ( -25.485 0.952 -23.183) 34.465 11.413 ( 6.275 -16.429 3.006) 17.841 11.994 ( 0.268 -26.117 -3.027) 26.293 12.207 ( -14.030 -7.588 7.214) 17.506 12.767 ( -31.081 -0.859 -12.912) 33.667 13.089 ( -12.166 -9.958 -6.897) 17.169 13.212 ( -23.781 -9.834 -29.579) 39.206 13.339 ( -7.880 -19.586 -4.512) 21.589 14.252 ( 11.507 12.999 5.297) 18.150 14.395 ( 9.393 12.260 4.272) 16.025 14.471 ( 2.112 11.449 4.914) 12.637 14.555 ( 4.190 12.283 0.284) 12.981 14.889 ( 3.237 1.777 -2.625) 4.531 14.996 ( 0.665 2.550 7.088) 7.562 15.104 ( 1.967 -6.302 3.045) 7.270 15.237 ( 4.146 -0.887 9.215) 10.143 15.317 ( 0.228 -7.962 3.040) 8.525 15.385 ( -1.655 -4.069 2.527) 5.067 15.564 ( -2.265 -4.747 -2.746) 5.933 15.774 ( -4.646 -17.812 -0.361) 18.411 22.470 ( 8.049 2.637 3.239) 9.068 22.647 ( 0.194 -3.644 1.881) 4.105 22.967 ( -2.983 7.917 -6.091) 10.425 23.644 ( -3.306 -12.118 -4.078) 13.206 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 22.573 17.780 -11.720) 31.032 3.026 ( 14.863 15.096 2.057) 21.285 3.611 ( -0.245 -2.215 -4.592) 5.104 3.659 ( 8.776 -0.948 -3.205) 9.391 3.989 ( -2.156 -12.358 -4.886) 13.462 4.149 ( -3.351 3.212 -5.399) 7.120 4.250 ( -10.202 -5.796 -0.831) 11.763 4.357 ( 4.121 -9.600 2.709) 10.793 4.467 ( 2.597 -5.650 -11.160) 12.776 4.701 ( -10.312 -1.061 -3.012) 10.795 4.926 ( -5.017 2.477 5.840) 8.088 5.203 ( 3.722 -5.588 4.637) 8.160 5.813 ( 29.429 14.818 -6.579) 33.599 5.974 ( 22.020 12.599 -17.099) 30.594 6.276 ( 13.100 6.227 -14.285) 20.358 6.372 ( 16.018 23.479 -1.022) 28.441 6.576 ( 32.069 19.459 -4.043) 37.728 6.646 ( 19.762 9.285 -14.402) 26.157 6.921 ( 16.374 4.215 -1.480) 16.973 7.036 ( 21.789 16.704 0.010) 27.455 7.171 ( 10.366 4.531 -5.745) 12.688 7.471 ( 7.484 13.936 -6.414) 17.069 7.553 ( -1.454 -0.455 4.463) 4.716 7.733 ( 3.384 25.628 1.507) 25.895 8.311 ( 19.448 20.838 15.845) 32.611 8.559 ( 28.958 -14.447 11.458) 34.330 8.743 ( -1.029 4.727 -1.324) 5.016 8.956 ( -7.228 9.303 0.835) 11.811 9.105 ( 12.524 4.532 1.626) 13.418 9.309 ( -8.012 8.602 5.344) 12.913 9.528 ( 10.584 10.740 1.058) 15.115 9.982 ( -13.328 -3.662 -21.835) 25.842 10.072 ( -2.758 0.956 -9.472) 9.912 10.304 ( 13.247 -4.006 -0.297) 13.843 10.576 ( 5.823 -7.920 -2.478) 10.138 10.830 ( -0.484 5.709 -5.476) 7.926 10.912 ( 9.643 8.393 9.160) 15.727 11.464 ( -7.135 -20.371 1.517) 21.638 11.793 ( -22.893 -6.214 1.175) 23.750 12.042 ( 2.432 -15.487 -4.140) 16.214 12.161 ( -18.531 -2.227 -0.970) 18.690 12.593 ( -30.814 -5.906 -15.557) 35.020 12.869 ( -14.207 -16.489 -2.919) 21.960 13.174 ( -10.819 -29.745 9.238) 32.972 14.510 ( 12.198 6.911 5.234) 14.965 14.531 ( 6.020 7.917 -7.777) 12.625 14.607 ( 8.943 8.435 4.947) 13.252 14.654 ( 6.124 8.237 -2.947) 10.679 14.937 ( 0.889 6.709 -2.143) 7.099 15.007 ( 0.342 -1.423 4.561) 4.790 15.128 ( 0.783 -2.893 1.910) 3.554 15.244 ( -4.023 -5.113 2.931) 7.136 15.283 ( -3.017 -8.452 8.012) 12.030 15.333 ( -2.407 0.545 4.839) 5.432 15.528 ( -1.384 -5.362 -2.069) 5.912 15.665 ( -5.843 -11.386 -0.075) 12.797 22.656 ( 5.663 -1.756 0.471) 5.948 22.719 ( 10.753 -1.857 0.507) 10.924 22.902 ( -3.259 7.111 -8.675) 11.681 23.534 ( -7.792 -11.311 -6.078) 15.020 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 12.378 13.163 -14.657) 23.266 3.243 ( 6.039 4.047 -8.041) 10.840 3.615 ( 0.704 3.157 -8.990) 9.554 3.760 ( -0.746 -1.949 -2.046) 2.923 3.787 ( -5.745 -11.738 -2.453) 13.297 3.990 ( -12.846 -9.546 1.312) 16.058 4.207 ( 8.361 3.548 1.448) 9.197 4.402 ( -6.631 -6.650 2.574) 9.738 4.466 ( 2.859 -2.938 0.950) 4.208 4.538 ( -5.557 -0.934 -2.332) 6.098 4.950 ( 7.574 -5.397 8.215) 12.409 5.134 ( -8.267 -8.922 8.147) 14.640 6.205 ( 9.632 15.833 -9.890) 21.006 6.280 ( 3.230 10.973 -10.799) 15.731 6.488 ( 9.519 -1.074 -9.986) 13.838 6.568 ( 3.389 -1.233 -5.973) 6.978 6.903 ( 13.597 23.521 -11.239) 29.401 7.145 ( -2.296 19.522 0.831) 19.674 7.314 ( 6.570 6.461 -2.094) 9.450 7.378 ( 15.333 22.700 11.533) 29.722 7.524 ( 23.095 19.237 -18.457) 35.272 7.573 ( 11.920 11.164 -7.943) 18.161 7.660 ( 10.822 18.303 -15.216) 26.146 7.980 ( 29.016 14.678 -18.470) 37.397 8.272 ( -30.667 24.809 -8.778) 40.410 8.660 ( 0.575 -1.062 -9.108) 9.188 8.801 ( -5.662 -4.360 -9.856) 12.174 8.824 ( -20.956 6.598 -20.060) 29.750 9.221 ( 11.028 14.664 -2.374) 18.501 9.375 ( 3.962 1.378 2.199) 4.736 9.795 ( 16.026 -0.399 -0.023) 16.031 9.911 ( 20.043 -4.869 3.690) 20.954 10.007 ( -2.677 6.315 -7.293) 10.011 10.300 ( -13.482 -3.803 -2.162) 14.174 10.735 ( -2.560 15.812 -4.447) 16.624 10.815 ( 10.432 -3.357 6.398) 12.690 10.890 ( -16.249 -0.933 4.454) 16.874 11.216 ( -16.928 1.680 3.425) 17.352 11.595 ( 5.123 -12.702 -10.664) 17.358 11.904 ( -24.076 -7.757 -6.368) 26.084 12.100 ( 20.902 -12.249 8.700) 25.742 12.416 ( 16.754 -21.783 13.799) 30.750 12.541 ( -18.485 -18.841 4.162) 26.721 12.842 ( -21.219 -26.672 17.075) 38.121 14.631 ( 4.903 5.110 -13.068) 14.863 14.688 ( 0.416 3.781 -10.801) 11.451 14.782 ( 9.644 4.523 -0.990) 10.698 14.835 ( 10.441 -2.310 6.761) 12.652 14.933 ( -2.985 2.092 2.119) 4.216 15.011 ( 3.211 1.412 3.669) 5.076 15.082 ( -8.745 -2.580 8.495) 12.461 15.126 ( -5.145 -1.348 2.081) 5.711 15.241 ( 1.177 -2.257 5.700) 6.243 15.291 ( -2.491 0.671 6.188) 6.704 15.512 ( 0.323 -5.955 -3.327) 6.829 15.557 ( -4.121 -6.981 -2.229) 8.407 22.740 ( 3.999 1.520 -4.822) 6.446 22.820 ( -3.654 5.034 -8.689) 10.686 23.023 ( 15.462 -5.802 -2.247) 16.667 23.321 ( -12.943 -9.217 -5.409) 16.785 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.000 26.640 13.410) 29.825 2.376 ( 0.000 11.478 27.985) 30.248 2.452 ( 0.000 -15.106 21.014) 25.880 2.661 ( 0.000 -11.134 34.997) 36.725 3.566 ( 0.000 27.871 22.152) 35.602 3.588 ( 0.000 16.682 16.541) 23.493 3.982 ( 0.000 -16.217 10.627) 19.389 4.069 ( 0.000 -15.240 19.991) 25.137 4.768 ( 0.000 32.991 -4.584) 33.308 4.900 ( 0.000 3.827 -19.068) 19.448 5.178 ( 0.000 17.913 7.168) 19.294 5.244 ( 0.000 5.546 14.764) 15.771 5.429 ( 0.000 1.524 17.492) 17.559 5.605 ( 0.000 3.910 6.482) 7.570 5.687 ( 0.000 -13.186 3.410) 13.620 5.812 ( 0.000 5.306 14.367) 15.315 5.901 ( 0.000 -8.610 8.976) 12.437 5.957 ( 0.000 -11.860 11.048) 16.209 6.225 ( 0.000 -2.169 8.388) 8.664 6.248 ( 0.000 -13.271 15.617) 20.494 6.980 ( 0.000 11.502 5.986) 12.967 7.065 ( 0.000 11.087 12.907) 17.015 7.102 ( 0.000 -6.000 6.788) 9.060 7.440 ( 0.000 -22.632 0.120) 22.632 7.934 ( 0.000 11.710 5.913) 13.118 7.940 ( 0.000 5.842 15.330) 16.406 8.301 ( 0.000 -2.176 2.095) 3.020 8.333 ( 0.000 -6.796 -17.160) 18.457 8.538 ( 0.000 58.560 10.279) 59.455 9.293 ( 0.000 -14.802 14.557) 20.761 9.554 ( 0.000 28.795 15.593) 32.746 9.807 ( 0.000 -2.233 -7.536) 7.860 9.866 ( 0.000 -4.120 -11.249) 11.979 10.131 ( 0.000 -15.211 12.401) 19.625 10.376 ( 0.000 -4.601 10.736) 11.681 10.675 ( 0.000 -43.234 5.835) 43.627 11.449 ( 0.000 19.462 -8.171) 21.108 11.708 ( 0.000 7.016 -7.103) 9.984 11.775 ( 0.000 -13.114 -6.924) 14.829 11.958 ( 0.000 -14.965 -8.789) 17.355 13.289 ( 0.000 6.808 -22.973) 23.961 13.455 ( 0.000 -9.281 -28.095) 29.588 13.734 ( 0.000 9.058 -16.722) 19.017 13.887 ( 0.000 -6.201 -16.967) 18.064 14.211 ( 0.000 10.489 14.340) 17.767 14.319 ( 0.000 8.128 7.694) 11.192 14.575 ( 0.000 -3.419 13.263) 13.697 14.630 ( 0.000 5.300 -1.991) 5.662 14.752 ( 0.000 -3.638 2.150) 4.226 14.810 ( 0.000 -4.841 -0.614) 4.880 14.953 ( 0.000 16.058 5.814) 17.078 15.175 ( 0.000 1.006 -0.503) 1.125 15.288 ( 0.000 -4.267 1.770) 4.620 15.339 ( 0.000 8.135 3.461) 8.841 15.412 ( 0.000 -22.736 2.133) 22.836 15.508 ( 0.000 -8.333 1.554) 8.477 22.492 ( 0.000 8.140 -1.003) 8.202 22.629 ( 0.000 -6.152 -4.759) 7.778 23.214 ( 0.000 11.147 -0.165) 11.148 23.447 ( 0.000 -13.236 0.013) 13.236 ======================= Grid point 91 (37/100) ======================= q-point: ( 0.11 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 26.685 20.941 -2.288) 33.998 2.431 ( 9.588 11.950 12.990) 20.087 2.616 ( 21.823 -2.781 8.546) 23.601 2.924 ( 17.258 -21.321 15.282) 31.400 3.726 ( 13.625 19.701 14.840) 28.178 3.816 ( 15.425 15.658 11.452) 24.784 4.112 ( 4.915 -7.680 12.583) 15.539 4.240 ( 15.336 -14.859 12.083) 24.536 4.785 ( -3.913 13.530 -15.904) 21.244 4.849 ( -4.626 2.323 -19.989) 20.649 5.141 ( 3.302 23.939 3.676) 24.444 5.293 ( -0.400 1.857 9.753) 9.936 5.405 ( -2.065 11.942 13.156) 17.887 5.522 ( -3.305 4.833 4.604) 7.448 5.674 ( 2.810 -8.010 2.805) 8.940 5.915 ( 9.531 -3.790 10.363) 14.581 6.064 ( 10.791 -8.086 2.095) 13.647 6.104 ( 15.693 -7.955 6.226) 18.663 6.351 ( 10.689 2.173 13.250) 17.162 6.443 ( 15.750 -9.197 14.709) 23.431 7.043 ( 4.200 17.399 1.256) 17.943 7.158 ( 12.568 -4.842 21.523) 25.389 7.200 ( 7.733 0.552 13.509) 15.576 7.474 ( 3.721 -19.577 1.380) 19.975 7.860 ( 3.901 13.269 12.630) 18.729 8.120 ( 11.309 -11.263 16.584) 23.017 8.395 ( 10.022 30.845 -0.601) 32.438 8.580 ( 17.348 -3.000 -5.023) 18.308 8.667 ( 15.165 33.283 5.157) 36.937 9.210 ( -5.288 -7.365 14.766) 17.327 9.652 ( 7.018 24.333 12.846) 28.397 9.799 ( -0.822 1.287 -5.916) 6.110 9.912 ( 4.051 -6.638 -12.911) 15.072 10.122 ( 0.877 -4.833 8.648) 9.946 10.455 ( 5.137 -10.170 10.279) 15.345 10.669 ( -0.601 -41.613 4.049) 41.814 11.329 ( -8.986 11.699 -10.933) 18.362 11.557 ( -15.988 -11.067 -16.776) 25.681 11.745 ( 1.268 10.760 -0.227) 10.837 12.038 ( 2.549 -16.810 1.473) 17.065 13.197 ( -10.377 5.479 -18.005) 21.491 13.326 ( -14.174 -5.882 -20.797) 25.846 13.439 ( -19.114 1.820 -16.297) 25.184 13.544 ( -24.648 -7.412 -22.930) 34.471 14.379 ( 8.915 16.197 6.974) 19.760 14.449 ( 8.986 11.266 4.961) 15.241 14.636 ( 1.460 6.063 -2.250) 6.629 14.732 ( 7.770 -7.454 9.530) 14.379 14.772 ( 3.023 -0.104 4.325) 5.278 14.834 ( 3.013 -3.940 0.788) 5.023 14.925 ( -0.411 7.340 9.041) 11.653 15.173 ( -2.249 -7.273 -0.400) 7.624 15.299 ( 1.863 -0.407 2.498) 3.143 15.332 ( -0.178 6.731 3.005) 7.374 15.440 ( 2.080 -14.203 1.651) 14.449 15.500 ( -0.741 -9.301 1.414) 9.437 22.488 ( 0.091 6.589 0.145) 6.592 22.600 ( -2.109 -5.112 -2.200) 5.951 23.199 ( -1.502 11.412 -1.866) 11.661 23.437 ( -1.126 -13.452 -1.522) 13.584 ======================= Grid point 92 (38/100) ======================= q-point: ( 0.22 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 20.635 24.527 -6.854) 32.777 2.917 ( 30.535 12.920 -5.681) 33.639 3.166 ( 26.463 -7.253 -0.514) 27.444 3.303 ( 19.140 -20.377 -3.076) 28.125 3.960 ( -1.883 5.416 0.247) 5.739 3.982 ( 7.776 2.255 2.316) 8.421 4.212 ( 2.550 1.139 3.363) 4.371 4.328 ( -7.343 -9.114 3.715) 12.280 4.620 ( -8.274 7.527 -14.710) 18.480 4.735 ( -5.891 -4.951 -15.086) 16.935 5.150 ( -4.908 4.475 1.006) 6.718 5.188 ( -5.868 -0.377 6.032) 8.424 5.567 ( 14.080 6.790 -9.272) 18.175 5.654 ( 18.146 1.410 -7.206) 19.576 5.978 ( 28.019 18.305 1.283) 33.494 6.244 ( 19.717 1.309 6.840) 20.911 6.283 ( 12.936 3.806 -1.388) 13.555 6.450 ( 18.737 -6.441 -5.708) 20.619 6.585 ( 14.264 10.317 6.964) 18.932 6.809 ( 17.726 -9.565 -0.465) 20.148 7.183 ( 8.683 15.524 1.002) 17.816 7.334 ( 7.589 -5.058 6.672) 11.300 7.433 ( 8.610 -4.787 15.853) 18.665 7.631 ( 13.537 -17.753 11.793) 25.249 8.166 ( 23.094 15.202 24.555) 36.978 8.417 ( 13.124 -9.810 9.139) 18.762 8.575 ( 10.099 43.252 14.485) 46.717 8.922 ( 10.122 -0.656 7.479) 12.603 9.184 ( 13.799 7.657 7.664) 17.544 9.242 ( 32.562 1.025 7.978) 33.541 9.745 ( -2.840 16.537 0.445) 16.785 9.815 ( 7.293 19.933 0.507) 21.232 10.005 ( 3.810 -10.392 -17.190) 20.445 10.192 ( 4.989 4.001 2.411) 6.834 10.433 ( -9.028 -9.820 -4.782) 14.171 10.689 ( 2.209 -37.513 5.865) 38.033 11.152 ( -9.622 -1.514 -14.104) 17.140 11.228 ( -11.000 -3.593 -10.010) 15.301 11.729 ( -2.576 6.038 6.471) 9.218 11.984 ( -8.833 -15.257 9.910) 20.224 12.799 ( -27.023 4.175 -10.247) 29.201 12.919 ( -20.371 -8.462 -8.936) 23.800 13.049 ( -20.426 -2.974 -23.824) 31.522 13.103 ( -20.703 -7.386 -25.713) 33.828 14.521 ( 6.031 14.844 0.618) 16.034 14.618 ( 7.105 9.096 1.058) 11.591 14.669 ( 1.746 8.184 -3.271) 8.985 14.786 ( 1.354 6.643 4.185) 7.968 14.860 ( 3.706 -1.805 3.786) 5.597 14.940 ( 4.907 -8.360 8.409) 12.833 14.974 ( 3.762 -4.126 10.364) 11.772 15.106 ( -3.157 -12.065 2.970) 12.820 15.305 ( -0.750 6.601 2.616) 7.140 15.360 ( 1.584 2.293 2.266) 3.592 15.458 ( -1.161 -5.913 0.490) 6.046 15.492 ( 0.383 -11.289 1.500) 11.395 22.525 ( 4.085 3.097 1.484) 5.337 22.584 ( 1.309 -3.189 0.832) 3.546 23.153 ( -3.014 11.718 -5.552) 13.312 23.396 ( -3.091 -13.636 -4.826) 14.791 ======================= Grid point 93 (39/100) ======================= q-point: ( 0.33 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 17.278 19.483 -9.660) 27.775 3.313 ( 7.086 11.113 1.917) 13.318 3.546 ( 7.147 -7.256 1.322) 10.270 3.568 ( 7.428 -6.149 1.148) 9.711 3.854 ( -6.071 1.298 -4.547) 7.695 4.041 ( -3.608 -16.442 1.082) 16.868 4.160 ( -0.957 -1.153 -1.557) 2.161 4.170 ( -3.665 -3.136 -1.093) 4.946 4.502 ( -2.834 5.880 -15.532) 16.848 4.624 ( -3.332 -6.132 -9.973) 12.173 4.994 ( -9.567 4.073 4.233) 11.227 5.084 ( -5.969 -5.763 5.459) 9.932 6.045 ( 26.051 7.954 -17.410) 32.327 6.102 ( 22.045 1.670 -19.952) 29.780 6.354 ( 8.795 3.168 -10.206) 13.840 6.425 ( 6.015 -4.277 -4.306) 8.545 6.826 ( 25.899 10.395 -13.398) 30.957 6.931 ( 27.148 -1.048 -9.713) 28.852 7.099 ( 34.289 18.639 -2.271) 39.094 7.160 ( 18.456 3.050 -8.747) 20.651 7.358 ( 7.982 2.556 0.464) 8.394 7.455 ( 5.995 -3.964 -4.857) 8.674 7.613 ( 12.763 14.089 11.686) 22.315 8.054 ( 23.958 -21.426 9.213) 33.436 8.527 ( 1.739 16.228 5.605) 17.257 8.578 ( 11.997 4.908 12.342) 17.898 8.904 ( 18.644 10.555 22.962) 31.405 8.996 ( 3.424 1.684 17.989) 18.390 9.529 ( 7.713 25.103 -4.245) 26.602 9.579 ( -5.363 22.535 -11.922) 26.053 9.789 ( 1.476 12.700 -9.893) 16.166 9.950 ( -5.155 4.493 -18.807) 20.012 10.101 ( 14.759 3.392 5.099) 15.979 10.227 ( 0.337 -1.940 -7.560) 7.812 10.313 ( 7.034 -17.371 -3.011) 18.982 10.697 ( 0.388 -32.627 4.411) 32.926 11.045 ( 0.759 4.451 -3.922) 5.981 11.161 ( 3.116 -1.489 8.472) 9.149 11.671 ( -14.910 -7.374 8.354) 18.614 11.699 ( -3.147 -11.294 8.494) 14.478 12.260 ( -23.591 10.635 -7.572) 26.962 12.535 ( -28.656 0.688 -17.131) 33.393 12.558 ( -16.304 -18.651 -1.218) 24.803 12.669 ( -21.281 -16.615 -13.246) 30.073 14.642 ( 6.094 7.939 0.897) 10.049 14.702 ( 1.626 9.074 -3.449) 9.843 14.751 ( 4.643 1.857 -4.275) 6.579 14.805 ( 1.183 4.224 0.030) 4.387 14.923 ( 2.202 -1.174 6.166) 6.651 15.003 ( 1.332 -3.952 6.442) 7.674 15.044 ( 2.469 -3.853 6.279) 7.769 15.078 ( 1.410 -6.497 6.117) 9.034 15.274 ( -2.355 5.283 4.016) 7.041 15.370 ( -0.705 2.530 1.564) 3.057 15.416 ( -2.499 -5.896 -0.611) 6.432 15.482 ( -1.754 -7.716 0.516) 7.930 22.647 ( 6.641 0.796 -0.225) 6.693 22.678 ( 8.840 -2.199 -0.020) 9.109 23.073 ( -4.882 10.963 -8.224) 14.548 23.301 ( -6.376 -12.812 -7.176) 16.009 ======================= Grid point 94 (40/100) ======================= q-point: ( 0.44 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( 2.143 7.451 -1.622) 7.921 3.387 ( 1.970 8.909 -3.796) 9.883 3.538 ( -1.817 -8.232 2.796) 8.882 3.570 ( -5.465 -10.227 -0.172) 11.597 3.821 ( 5.716 9.857 -6.144) 12.945 4.010 ( -9.001 8.878 -5.755) 13.891 4.086 ( 7.112 -14.753 -1.567) 16.452 4.208 ( -2.118 -9.964 -1.567) 10.306 4.532 ( 5.657 8.598 -3.755) 10.956 4.635 ( 0.967 4.386 -1.422) 4.711 4.816 ( -3.822 -5.172 3.585) 7.362 4.926 ( -8.925 -11.478 4.787) 15.307 6.381 ( 7.031 4.939 -9.701) 12.960 6.406 ( 6.480 3.564 -11.918) 14.026 6.460 ( 3.668 -1.130 -9.181) 9.951 6.504 ( 1.098 -3.901 -7.839) 8.824 7.217 ( 11.009 12.834 -6.134) 17.987 7.336 ( 0.711 5.709 -3.095) 6.533 7.380 ( 7.983 -1.333 -2.241) 8.398 7.449 ( 1.111 -6.513 0.312) 6.614 7.814 ( 39.233 11.433 -35.645) 54.226 7.927 ( 38.130 0.633 -39.938) 55.221 8.042 ( 21.621 28.767 6.124) 36.504 8.353 ( 1.277 10.213 -11.283) 15.272 8.537 ( -2.720 -1.489 7.053) 7.705 8.622 ( -4.792 -2.940 -1.228) 5.755 8.791 ( -24.297 8.453 -10.304) 27.713 8.897 ( -30.018 -0.670 -20.256) 36.219 9.569 ( 20.473 13.329 3.915) 24.741 9.707 ( 18.811 3.799 6.388) 20.226 9.807 ( 2.584 27.777 1.086) 27.918 10.018 ( 4.073 24.579 4.148) 25.257 10.121 ( -8.059 6.516 -1.975) 10.550 10.194 ( -9.566 -5.245 -3.824) 11.561 10.543 ( 6.063 -24.820 9.130) 27.132 10.647 ( -4.213 -28.086 1.093) 28.421 11.116 ( 8.616 20.441 3.159) 22.406 11.315 ( -7.735 14.374 9.147) 18.711 11.441 ( 11.304 -10.239 -0.437) 15.258 11.729 ( -7.011 -20.591 3.801) 22.082 11.939 ( -1.810 1.870 0.191) 2.610 12.048 ( -8.963 -4.373 -2.095) 10.191 12.211 ( -16.235 -16.171 2.197) 23.019 12.278 ( -16.640 -26.534 0.545) 31.325 14.731 ( 1.407 5.894 -2.762) 6.659 14.748 ( 1.149 2.560 -2.652) 3.861 14.784 ( 3.028 -2.552 1.689) 4.305 14.843 ( -0.443 -2.628 -2.130) 3.412 14.965 ( 3.266 4.355 5.246) 7.560 15.043 ( 0.669 0.420 8.175) 8.213 15.048 ( -0.029 -0.367 0.820) 0.899 15.104 ( -1.284 -2.458 3.183) 4.221 15.256 ( 2.205 4.839 2.899) 6.056 15.329 ( -3.471 3.763 2.828) 5.849 15.385 ( 0.438 -7.373 -2.070) 7.670 15.428 ( -3.042 -6.370 -0.701) 7.094 22.797 ( 7.844 4.508 -4.391) 10.056 22.900 ( 11.217 -5.437 -3.815) 13.036 22.954 ( -6.280 7.587 -7.515) 12.388 23.132 ( -10.095 -10.328 -6.664) 15.906 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.000 0.000 35.093) 35.093 1.964 ( 0.000 0.000 41.298) 41.298 3.247 ( 0.000 0.000 31.725) 31.725 3.291 ( 0.000 0.000 9.382) 9.382 3.342 ( 0.000 0.000 58.524) 58.524 3.752 ( 0.000 0.000 3.687) 3.687 4.097 ( 0.000 0.000 22.329) 22.329 4.368 ( 0.000 0.000 3.421) 3.421 4.489 ( 0.000 0.000 40.708) 40.708 4.620 ( 0.000 0.000 9.028) 9.028 4.705 ( 0.000 0.000 -19.463) 19.463 5.039 ( 0.000 0.000 1.260) 1.260 5.167 ( 0.000 0.000 8.019) 8.019 5.379 ( 0.000 0.000 36.673) 36.673 5.554 ( 0.000 0.000 18.749) 18.749 5.838 ( 0.000 0.000 -3.884) 3.884 5.937 ( 0.000 0.000 -5.105) 5.105 6.097 ( 0.000 0.000 11.924) 11.924 6.130 ( 0.000 0.000 6.496) 6.496 6.501 ( 0.000 0.000 -2.633) 2.633 6.930 ( 0.000 0.000 -17.304) 17.304 6.951 ( 0.000 0.000 34.784) 34.784 7.291 ( 0.000 0.000 30.607) 30.607 7.722 ( 0.000 0.000 -1.834) 1.834 7.905 ( 0.000 0.000 11.996) 11.996 8.108 ( 0.000 0.000 -21.115) 21.115 8.360 ( 0.000 0.000 -0.464) 0.464 8.385 ( 0.000 0.000 54.788) 54.788 8.879 ( 0.000 0.000 24.457) 24.457 9.438 ( 0.000 0.000 8.924) 8.924 9.506 ( 0.000 0.000 3.136) 3.136 9.739 ( 0.000 0.000 -9.717) 9.717 9.960 ( 0.000 0.000 -22.540) 22.540 9.973 ( 0.000 0.000 -14.227) 14.227 10.534 ( 0.000 0.000 12.574) 12.574 11.096 ( 0.000 0.000 12.858) 12.858 11.284 ( 0.000 0.000 12.081) 12.081 11.864 ( 0.000 0.000 -29.392) 29.392 12.118 ( 0.000 0.000 -26.534) 26.534 12.266 ( 0.000 0.000 -4.536) 4.536 12.926 ( 0.000 0.000 -25.060) 25.060 13.214 ( 0.000 0.000 -22.144) 22.144 13.610 ( 0.000 0.000 -3.588) 3.588 13.707 ( 0.000 0.000 -20.893) 20.893 13.845 ( 0.000 0.000 15.434) 15.434 14.117 ( 0.000 0.000 8.937) 8.937 14.177 ( 0.000 0.000 -1.483) 1.483 14.744 ( 0.000 0.000 -2.527) 2.527 14.893 ( 0.000 0.000 11.781) 11.781 15.042 ( 0.000 0.000 5.418) 5.418 15.121 ( 0.000 0.000 2.320) 2.320 15.141 ( 0.000 0.000 5.311) 5.311 15.396 ( 0.000 0.000 -4.071) 4.071 15.410 ( 0.000 0.000 6.218) 6.218 15.491 ( 0.000 0.000 1.087) 1.087 16.279 ( 0.000 0.000 -9.563) 9.563 22.382 ( 0.000 0.000 14.638) 14.638 22.655 ( 0.000 0.000 1.813) 1.813 22.881 ( 0.000 0.000 -1.386) 1.386 23.933 ( 0.000 0.000 -2.109) 2.109 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 11.925 0.000 28.652) 31.035 2.138 ( 12.361 0.000 31.421) 33.765 3.099 ( -4.335 0.000 24.703) 25.081 3.425 ( 5.426 0.000 4.049) 6.770 3.634 ( 27.593 0.000 48.759) 56.025 3.708 ( -32.185 0.000 49.526) 59.065 3.872 ( 11.264 0.000 5.757) 12.650 4.230 ( -11.941 0.000 1.180) 11.999 4.428 ( -7.717 0.000 35.097) 35.935 4.635 ( 1.327 0.000 8.904) 9.002 4.685 ( -3.405 0.000 -21.724) 21.989 4.812 ( -20.784 0.000 8.626) 22.503 5.115 ( 3.022 0.000 -0.159) 3.026 5.211 ( 2.161 0.000 18.775) 18.899 5.543 ( 2.403 0.000 5.952) 6.419 5.770 ( -6.026 0.000 -1.384) 6.183 6.166 ( 0.580 0.000 -0.516) 0.777 6.230 ( 9.220 0.000 5.979) 10.990 6.274 ( 17.934 0.000 11.638) 21.379 6.409 ( -0.407 0.000 -5.850) 5.864 6.871 ( -6.931 0.000 -12.264) 14.087 7.041 ( 6.963 0.000 36.701) 37.355 7.168 ( -7.903 0.000 17.601) 19.294 7.753 ( 2.864 0.000 -3.031) 4.170 7.850 ( 5.818 0.000 11.695) 13.063 8.246 ( 11.443 0.000 -19.129) 22.290 8.368 ( -1.318 0.000 0.509) 1.413 8.832 ( 11.480 0.000 14.767) 18.704 9.152 ( 39.410 0.000 50.095) 63.739 9.384 ( -0.901 0.000 15.058) 15.085 9.450 ( -16.043 0.000 -9.033) 18.411 9.591 ( 3.759 0.000 2.962) 4.786 9.962 ( -0.737 0.000 -15.518) 15.536 10.112 ( 7.173 0.000 -14.766) 16.416 10.544 ( 1.289 0.000 10.380) 10.459 10.836 ( -14.551 0.000 10.004) 17.658 11.213 ( -43.572 0.000 -37.292) 57.352 11.598 ( 18.893 0.000 12.098) 22.434 12.243 ( -5.891 0.000 -16.729) 17.736 12.306 ( 2.567 0.000 -16.725) 16.921 12.929 ( -3.447 0.000 -25.417) 25.650 13.110 ( -16.280 0.000 -24.166) 29.138 13.594 ( 0.974 0.000 -16.326) 16.355 13.767 ( 12.181 0.000 2.848) 12.510 13.931 ( 7.296 0.000 8.090) 10.894 14.013 ( -5.768 0.000 18.341) 19.226 14.149 ( -2.063 0.000 -2.775) 3.458 14.706 ( -3.213 0.000 -4.358) 5.414 14.730 ( -6.574 0.000 15.954) 17.255 15.047 ( 0.812 0.000 6.680) 6.729 15.161 ( 2.941 0.000 1.296) 3.214 15.359 ( 10.178 0.000 -0.570) 10.194 15.379 ( -1.514 0.000 -3.011) 3.370 15.452 ( -1.546 0.000 -0.565) 1.646 15.617 ( 13.971 0.000 8.123) 16.161 16.218 ( -5.429 0.000 -9.531) 10.969 22.435 ( 5.186 0.000 13.757) 14.702 22.749 ( 6.134 0.000 -0.360) 6.144 22.808 ( -6.708 0.000 -3.604) 7.615 23.898 ( -3.462 0.000 -3.480) 4.909 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 15.562 0.000 14.635) 21.362 2.373 ( 13.076 0.000 13.172) 18.561 3.205 ( 15.266 0.000 4.103) 15.808 3.373 ( 6.023 0.000 10.288) 11.921 3.494 ( 1.328 0.000 -3.403) 3.653 3.961 ( -8.772 0.000 -5.099) 10.146 4.104 ( 5.059 0.000 6.783) 8.462 4.268 ( -0.426 0.000 6.454) 6.468 4.331 ( 17.837 0.000 9.663) 20.286 4.535 ( 2.573 0.000 7.675) 8.095 4.617 ( 2.070 0.000 -7.185) 7.477 4.706 ( 6.780 0.000 5.259) 8.580 5.263 ( 8.393 0.000 -5.452) 10.009 5.343 ( 10.143 0.000 17.367) 20.112 5.608 ( -6.376 0.000 -0.760) 6.421 5.662 ( 4.584 0.000 2.492) 5.218 6.011 ( -10.066 0.000 3.077) 10.525 6.420 ( 3.249 0.000 -7.970) 8.607 6.453 ( 10.924 0.000 4.392) 11.774 6.641 ( 3.203 0.000 -2.320) 3.955 6.814 ( 12.722 0.000 5.803) 13.983 7.067 ( -1.158 0.000 2.500) 2.755 7.197 ( 8.422 0.000 35.426) 36.413 7.814 ( 2.539 0.000 -4.702) 5.344 8.158 ( 18.578 0.000 -1.372) 18.628 8.262 ( -8.852 0.000 -1.402) 8.962 8.518 ( 13.903 0.000 -12.130) 18.451 8.920 ( -26.128 0.000 -1.534) 26.173 8.932 ( 1.262 0.000 -7.707) 7.810 9.401 ( 2.334 0.000 17.730) 17.883 9.605 ( -3.606 0.000 5.606) 6.665 9.981 ( 4.055 0.000 -13.617) 14.208 10.141 ( 7.485 0.000 -9.935) 12.439 10.299 ( -3.783 0.000 -16.283) 16.716 10.431 ( 20.634 0.000 32.655) 38.628 10.551 ( -12.427 0.000 4.022) 13.061 10.621 ( 4.607 0.000 5.222) 6.964 11.837 ( -19.391 0.000 -22.407) 29.632 11.938 ( -6.602 0.000 -17.271) 18.490 12.233 ( -7.248 0.000 -6.166) 9.516 12.644 ( -13.913 0.000 -7.956) 16.027 12.787 ( -10.508 0.000 -18.606) 21.368 13.887 ( 5.937 0.000 7.618) 9.658 13.929 ( 11.834 0.000 6.718) 13.608 13.958 ( 2.062 0.000 -3.419) 3.993 14.032 ( 2.961 0.000 4.914) 5.737 14.179 ( 5.921 0.000 0.474) 5.940 14.636 ( -3.101 0.000 -6.145) 6.883 14.733 ( 6.487 0.000 16.312) 17.554 15.085 ( 2.890 0.000 7.627) 8.156 15.202 ( 0.500 0.000 -1.010) 1.127 15.341 ( -5.063 0.000 -4.924) 7.062 15.342 ( -1.959 0.000 0.593) 2.047 15.480 ( -1.045 0.000 -4.381) 4.504 15.880 ( 8.943 0.000 13.823) 16.463 16.080 ( -7.565 0.000 -8.250) 11.194 22.591 ( 9.938 0.000 10.703) 14.606 22.638 ( -8.892 0.000 -9.234) 12.819 22.806 ( -1.238 0.000 -2.256) 2.573 23.794 ( -6.698 0.000 -6.474) 9.315 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 19.410 0.000 2.101) 19.524 2.708 ( 18.698 0.000 -2.800) 18.907 3.445 ( -3.525 0.000 -4.445) 5.673 3.605 ( 15.781 0.000 -7.134) 17.318 3.623 ( 8.847 0.000 -22.076) 23.783 3.974 ( 5.162 0.000 -4.366) 6.761 4.110 ( -13.477 0.000 -13.673) 19.199 4.196 ( 10.903 0.000 -11.221) 15.645 4.340 ( 2.523 0.000 -10.275) 10.580 4.516 ( -0.114 0.000 -19.155) 19.155 4.919 ( 11.025 0.000 1.647) 11.148 5.302 ( 28.692 0.000 -5.280) 29.174 5.351 ( -3.222 0.000 8.909) 9.474 5.488 ( 10.978 0.000 7.903) 13.527 5.500 ( 0.274 0.000 -12.254) 12.257 5.803 ( 9.377 0.000 1.228) 9.457 5.944 ( 6.920 0.000 -5.755) 9.000 6.567 ( 15.879 0.000 -2.296) 16.044 6.609 ( 3.162 0.000 0.409) 3.189 6.720 ( 5.924 0.000 -8.256) 10.161 7.057 ( 7.261 0.000 1.618) 7.439 7.217 ( 15.096 0.000 5.404) 16.034 7.383 ( 9.580 0.000 29.535) 31.050 7.847 ( 0.604 0.000 -4.027) 4.072 8.029 ( -12.516 0.000 -7.448) 14.565 8.164 ( -29.171 0.000 2.591) 29.286 8.240 ( -32.257 0.000 -52.366) 61.504 8.747 ( 6.582 0.000 -4.629) 8.047 9.138 ( 21.599 0.000 -1.432) 21.646 9.418 ( -8.542 0.000 7.642) 11.462 9.566 ( 10.954 0.000 8.406) 13.808 10.058 ( -17.410 0.000 -17.461) 24.658 10.073 ( -1.841 0.000 -1.993) 2.713 10.123 ( 5.762 0.000 -0.955) 5.841 10.198 ( -6.973 0.000 -6.863) 9.784 10.748 ( 3.168 0.000 -2.509) 4.042 11.151 ( -24.818 0.000 -30.941) 39.664 11.294 ( 19.000 0.000 21.832) 28.942 11.842 ( -9.449 0.000 -11.956) 15.240 12.222 ( 17.865 0.000 20.501) 27.193 12.320 ( -20.383 0.000 -17.633) 26.952 12.856 ( 14.706 0.000 16.286) 21.943 13.751 ( -9.374 0.000 21.751) 23.685 13.909 ( -5.870 0.000 -9.712) 11.348 14.005 ( -4.755 0.000 5.053) 6.939 14.293 ( 1.071 0.000 -8.315) 8.383 14.418 ( 24.433 0.000 -6.198) 25.207 14.616 ( 3.342 0.000 1.426) 3.634 14.947 ( 12.614 0.000 13.425) 18.421 15.139 ( -1.341 0.000 2.802) 3.106 15.179 ( 0.424 0.000 3.274) 3.302 15.243 ( -3.607 0.000 -8.925) 9.626 15.311 ( -0.947 0.000 2.923) 3.073 15.415 ( -3.728 0.000 -4.007) 5.473 15.853 ( -9.723 0.000 -4.493) 10.710 15.985 ( -3.727 0.000 16.574) 16.988 22.489 ( -4.879 0.000 -14.895) 15.674 22.714 ( -6.958 0.000 -6.553) 9.558 22.831 ( 13.296 0.000 5.151) 14.259 23.625 ( -9.825 0.000 -8.399) 12.926 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 16.330 0.000 0.962) 16.358 3.128 ( 22.446 0.000 -7.487) 23.661 3.297 ( -10.311 0.000 -0.858) 10.347 3.591 ( -20.355 0.000 -9.462) 22.446 3.847 ( 7.515 0.000 -15.980) 17.659 3.876 ( 12.836 0.000 -8.671) 15.490 4.043 ( -7.968 0.000 -15.155) 17.122 4.142 ( -11.682 0.000 -9.808) 15.253 4.673 ( 20.279 0.000 -17.919) 27.061 4.694 ( 15.658 0.000 -10.023) 18.591 4.963 ( -7.399 0.000 -0.347) 7.407 5.043 ( -17.406 0.000 -2.775) 17.626 5.575 ( 5.667 0.000 3.766) 6.805 5.655 ( -1.566 0.000 -1.621) 2.254 5.764 ( 23.020 0.000 -29.918) 37.749 6.025 ( 5.868 0.000 -18.424) 19.335 6.482 ( 30.154 0.000 -22.646) 37.711 6.622 ( 5.324 0.000 -12.352) 13.450 6.769 ( -1.036 0.000 -9.663) 9.718 6.977 ( 17.117 0.000 0.246) 17.119 7.191 ( 0.978 0.000 -3.845) 3.967 7.197 ( -45.941 0.000 -45.398) 64.587 7.510 ( 13.018 0.000 2.073) 13.182 7.592 ( 10.580 0.000 23.285) 25.576 7.729 ( -10.179 0.000 2.012) 10.376 7.851 ( -15.445 0.000 3.949) 15.942 8.033 ( 19.511 0.000 -24.203) 31.088 8.672 ( -22.710 0.000 -18.379) 29.215 9.213 ( -8.360 0.000 -4.302) 9.402 9.319 ( -25.562 0.000 -17.418) 30.932 9.572 ( 18.498 0.000 -0.517) 18.505 9.887 ( -12.602 0.000 -2.427) 12.833 9.927 ( 20.251 0.000 0.548) 20.259 10.236 ( -6.113 0.000 -6.799) 9.143 10.564 ( 28.640 0.000 9.025) 30.028 10.735 ( 5.410 0.000 0.571) 5.441 10.945 ( -8.398 0.000 -7.430) 11.213 11.125 ( -23.406 0.000 5.654) 24.079 11.711 ( 1.245 0.000 -12.765) 12.826 11.919 ( -16.814 0.000 -14.676) 22.318 12.931 ( 38.837 0.000 32.378) 50.563 13.197 ( 16.930 0.000 20.793) 26.814 13.514 ( -13.806 0.000 21.831) 25.830 13.592 ( -24.573 0.000 20.035) 31.705 14.017 ( 5.149 0.000 -19.126) 19.807 14.176 ( -9.244 0.000 -17.736) 20.001 14.786 ( 10.902 0.000 3.675) 11.505 14.856 ( 16.929 0.000 -9.533) 19.428 15.001 ( -9.446 0.000 1.789) 9.614 15.067 ( -3.903 0.000 -8.592) 9.437 15.243 ( 3.201 0.000 5.233) 6.134 15.287 ( 7.377 0.000 0.156) 7.378 15.291 ( -1.455 0.000 3.619) 3.901 15.380 ( -0.224 0.000 3.880) 3.886 15.673 ( -3.369 0.000 1.052) 3.529 15.817 ( -11.552 0.000 19.032) 22.264 22.460 ( 2.145 0.000 -16.440) 16.579 22.561 ( -7.061 0.000 -12.678) 14.511 23.117 ( 14.215 0.000 -1.616) 14.306 23.394 ( -12.680 0.000 -6.853) 14.413 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.000 -1.743 30.260) 30.310 2.141 ( 0.000 17.588 36.686) 40.684 3.055 ( 0.000 -2.773 33.563) 33.677 3.362 ( 0.000 -0.483 17.023) 17.029 3.756 ( 0.000 33.363 50.251) 60.318 3.922 ( 0.000 14.412 -12.990) 19.402 4.026 ( 0.000 -6.931 17.330) 18.665 4.247 ( 0.000 -18.646 33.395) 38.248 4.456 ( 0.000 4.232 5.074) 6.607 4.553 ( 0.000 -1.094 -2.841) 3.044 5.047 ( 0.000 -8.360 12.053) 14.668 5.101 ( 0.000 35.259 -4.307) 35.521 5.303 ( 0.000 18.676 5.400) 19.441 5.484 ( 0.000 12.730 39.754) 41.742 5.711 ( 0.000 -0.514 5.448) 5.472 5.951 ( 0.000 7.321 -6.804) 9.995 6.058 ( 0.000 -0.310 8.444) 8.450 6.075 ( 0.000 25.085 14.809) 29.130 6.305 ( 0.000 14.719 10.799) 18.256 6.417 ( 0.000 -6.006 1.886) 6.296 6.942 ( 0.000 -1.937 29.027) 29.091 7.005 ( 0.000 8.568 -13.200) 15.737 7.275 ( 0.000 -1.147 30.056) 30.077 7.737 ( 0.000 2.227 0.039) 2.227 7.921 ( 0.000 1.731 12.129) 12.252 8.093 ( 0.000 -1.802 -18.589) 18.676 8.224 ( 0.000 -12.771 -1.947) 12.919 8.305 ( 0.000 -8.220 54.065) 54.686 9.023 ( 0.000 12.947 24.394) 27.617 9.270 ( 0.000 -13.633 8.761) 16.205 9.508 ( 0.000 1.467 4.268) 4.513 9.772 ( 0.000 1.295 -7.717) 7.825 9.783 ( 0.000 -4.979 -16.793) 17.516 10.338 ( 0.000 22.190 -17.528) 28.277 10.561 ( 0.000 2.637 10.714) 11.034 11.014 ( 0.000 -8.301 13.423) 15.782 11.242 ( 0.000 -3.907 9.093) 9.897 11.781 ( 0.000 -7.015 -20.880) 22.027 12.066 ( 0.000 -5.486 -23.826) 24.449 12.223 ( 0.000 -6.895 -9.863) 12.034 12.938 ( 0.000 0.919 -28.657) 28.671 13.198 ( 0.000 -1.369 -21.196) 21.240 13.371 ( 0.000 -16.603 -5.169) 17.389 13.732 ( 0.000 -6.402 -27.112) 27.858 13.945 ( 0.000 10.134 13.779) 17.105 14.191 ( 0.000 7.578 14.217) 16.110 14.256 ( 0.000 7.204 -1.292) 7.319 14.710 ( 0.000 -9.916 13.749) 16.952 14.773 ( 0.000 2.721 -1.886) 3.311 15.062 ( 0.000 0.872 4.107) 4.199 15.119 ( 0.000 -1.429 2.544) 2.918 15.126 ( 0.000 -0.626 6.588) 6.617 15.377 ( 0.000 -3.231 5.570) 6.440 15.452 ( 0.000 -0.953 -0.883) 1.299 15.529 ( 0.000 5.820 -3.037) 6.565 16.148 ( 0.000 -13.397 -8.394) 15.810 22.402 ( 0.000 2.022 13.006) 13.162 22.638 ( 0.000 -1.600 0.118) 1.604 22.915 ( 0.000 3.632 -1.466) 3.917 23.865 ( 0.000 -7.118 -2.019) 7.399 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 7.493 -5.667 27.124) 28.705 2.273 ( 8.447 13.107 29.966) 33.781 2.983 ( -0.956 -0.404 25.827) 25.848 3.455 ( 6.548 1.473 15.385) 16.785 3.791 ( -12.848 7.410 6.503) 16.194 3.868 ( 0.940 14.225 25.404) 29.131 4.116 ( 19.727 14.382 28.572) 37.582 4.217 ( -4.279 -8.668 9.130) 13.297 4.301 ( -9.337 3.923 8.589) 13.279 4.595 ( 3.845 0.574 1.395) 4.130 4.983 ( -13.608 -4.399 19.972) 24.565 5.078 ( 3.276 24.070 2.240) 24.395 5.205 ( -5.664 20.269 4.782) 21.582 5.337 ( -1.664 25.709 6.563) 26.586 5.614 ( -4.089 -0.801 0.792) 4.241 5.967 ( -5.527 20.660 9.287) 23.316 6.143 ( 2.643 -0.726 2.373) 3.626 6.275 ( 4.736 4.712 7.002) 9.678 6.356 ( 10.028 -2.305 -1.503) 10.398 6.405 ( 10.657 13.304 11.311) 20.457 6.834 ( -7.101 -3.296 -5.248) 9.425 7.066 ( 3.711 2.217 30.192) 30.500 7.254 ( -0.423 11.129 15.781) 19.315 7.735 ( 0.796 -0.583 -0.201) 1.006 7.892 ( 6.892 3.977 12.309) 14.657 8.227 ( 10.994 -1.785 -18.571) 21.655 8.240 ( 0.169 -12.159 0.681) 12.179 8.862 ( 25.417 -2.568 26.361) 36.709 9.163 ( 24.823 2.777 39.593) 46.814 9.219 ( -2.332 -6.344 8.461) 10.829 9.553 ( -0.984 -2.018 5.822) 6.240 9.620 ( -8.854 6.816 -7.474) 13.442 9.835 ( 4.884 -4.224 -14.115) 15.522 10.312 ( -1.183 10.381 -9.780) 14.312 10.562 ( -3.542 1.273 7.699) 8.570 10.798 ( -10.938 -0.349 3.695) 11.551 11.212 ( -36.163 -0.240 -29.765) 46.837 11.532 ( 16.946 -6.866 11.776) 21.748 12.153 ( -2.639 -8.730 -14.226) 16.898 12.301 ( 1.619 -2.212 -16.922) 17.143 12.901 ( -4.523 -2.773 -26.196) 26.728 13.072 ( -18.226 -3.837 -24.902) 31.097 13.392 ( 0.974 -16.526 -8.641) 18.674 13.621 ( 0.508 -13.975 -6.554) 15.444 14.000 ( 4.441 8.887 10.081) 14.154 14.222 ( -2.102 7.616 -1.434) 8.030 14.249 ( 6.072 15.061 11.506) 19.902 14.621 ( -4.143 -6.402 15.178) 16.986 14.744 ( -2.221 3.384 -3.175) 5.145 15.069 ( 0.243 1.759 5.491) 5.771 15.158 ( 2.716 -1.093 1.366) 3.230 15.260 ( 6.186 -3.651 1.205) 7.283 15.423 ( 1.334 -2.485 -0.260) 2.832 15.502 ( -0.461 3.963 -0.718) 4.054 15.579 ( 11.284 -3.293 5.419) 12.944 16.095 ( -4.710 -12.542 -8.306) 15.763 22.447 ( 4.451 1.228 12.245) 13.087 22.708 ( 4.774 -3.702 -0.461) 6.059 22.844 ( -6.484 3.868 -3.683) 8.401 23.828 ( -3.562 -7.247 -3.436) 8.776 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 13.171 -8.461 11.671) 19.526 2.461 ( 13.113 8.111 9.631) 18.180 3.177 ( 18.905 0.674 0.849) 18.936 3.500 ( -8.644 3.932 -12.243) 15.495 3.626 ( 7.909 14.861 4.596) 17.450 3.974 ( -1.406 -1.483 -5.376) 5.752 4.020 ( 4.110 2.540 1.956) 5.213 4.210 ( -1.660 -4.395 7.657) 8.983 4.497 ( -4.976 2.446 -5.279) 7.656 4.731 ( 7.495 3.984 2.839) 8.950 4.903 ( 20.747 25.189 27.489) 42.668 5.085 ( -1.225 29.779 6.213) 30.445 5.227 ( -0.141 -4.137 -0.306) 4.151 5.375 ( 12.769 15.971 -8.093) 21.992 5.618 ( 0.577 5.071 6.948) 8.621 5.815 ( -6.139 16.868 11.724) 21.440 6.033 ( -7.216 1.334 3.069) 7.954 6.419 ( 9.424 0.073 -1.608) 9.561 6.518 ( 6.937 7.719 0.485) 10.389 6.699 ( 4.725 4.682 -8.048) 10.442 6.875 ( 17.784 4.812 4.016) 18.856 7.164 ( 5.456 2.697 27.890) 28.546 7.258 ( 1.492 19.715 13.450) 23.912 7.783 ( 2.118 -3.607 -2.703) 4.980 8.106 ( 1.002 -1.003 1.246) 1.887 8.269 ( 13.033 -1.304 0.573) 13.111 8.483 ( 13.060 -2.643 -11.596) 17.664 9.001 ( -16.253 5.308 4.621) 17.711 9.055 ( -2.106 11.165 -6.882) 13.283 9.367 ( -1.884 -3.360 8.091) 8.961 9.575 ( -3.321 -0.760 5.891) 6.805 9.854 ( 12.071 -8.335 -3.512) 15.083 10.106 ( -2.018 -6.547 -11.421) 13.318 10.211 ( -10.493 -8.024 -12.732) 18.347 10.445 ( 29.108 2.664 28.684) 40.953 10.619 ( -7.229 2.106 -5.046) 9.064 10.766 ( -2.351 16.203 7.350) 17.947 11.792 ( -3.567 -6.247 -5.453) 9.027 11.878 ( -19.545 -4.932 -30.253) 36.354 12.231 ( -6.931 -0.521 -6.680) 9.640 12.574 ( -14.480 -7.374 -5.199) 17.061 12.728 ( -12.916 -5.391 -22.892) 26.832 13.501 ( 2.671 -23.999 6.523) 25.012 13.753 ( 11.562 -19.204 0.899) 22.434 14.061 ( -0.658 9.112 -6.679) 11.316 14.237 ( 5.769 6.687 2.061) 9.069 14.372 ( 4.077 18.865 8.558) 21.112 14.623 ( 3.171 -4.328 10.383) 11.688 14.728 ( 2.540 5.763 0.496) 6.317 15.083 ( 1.184 -0.650 5.240) 5.411 15.195 ( 0.487 -1.237 -0.109) 1.333 15.287 ( -1.367 -1.276 -1.866) 2.642 15.410 ( -1.917 1.127 -0.214) 2.234 15.470 ( -3.028 0.000 -3.978) 5.000 15.814 ( 7.122 -7.311 11.456) 15.343 15.985 ( -4.838 -9.077 -4.827) 11.363 22.580 ( 8.093 -0.701 8.732) 11.926 22.680 ( -8.095 3.891 -8.202) 12.163 22.759 ( -0.587 -4.146 -1.922) 4.607 23.722 ( -6.735 -7.439 -6.568) 11.993 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 15.429 -8.453 -6.643) 18.805 2.777 ( 14.960 4.143 -6.202) 16.716 3.326 ( -5.275 -2.334 -13.289) 14.487 3.576 ( 15.497 -2.214 -8.415) 17.772 3.877 ( 2.296 5.527 -11.725) 13.165 4.001 ( 17.470 6.132 -19.460) 26.861 4.113 ( -6.686 5.158 -10.573) 13.532 4.229 ( 5.889 -2.650 -4.627) 7.944 4.358 ( -1.957 1.946 -8.108) 8.565 4.900 ( 6.016 1.391 2.230) 6.565 4.982 ( -6.115 13.613 -7.998) 16.931 5.231 ( 9.134 -8.456 -2.715) 12.740 5.391 ( 20.905 4.417 -16.480) 26.983 5.485 ( -4.359 27.466 2.018) 27.883 5.711 ( -7.473 7.335 5.571) 11.861 5.830 ( 15.169 9.026 2.244) 17.794 6.174 ( 26.438 22.137 3.232) 34.633 6.576 ( 3.569 -2.011 -1.044) 4.227 6.699 ( 12.830 11.431 -4.023) 17.648 6.818 ( 7.548 7.965 -9.048) 14.222 7.218 ( 11.269 9.854 6.149) 16.183 7.249 ( 5.054 12.634 4.953) 14.480 7.398 ( 12.133 3.765 24.313) 27.432 7.745 ( -7.752 -8.897 -0.474) 11.810 8.012 ( -2.711 7.659 -5.963) 10.078 8.327 ( -32.973 8.267 -46.385) 57.508 8.426 ( -21.198 17.375 -2.802) 27.552 8.718 ( 7.044 -1.613 -4.438) 8.480 9.131 ( 12.647 -1.650 -2.764) 13.050 9.439 ( -2.745 1.008 9.363) 9.809 9.485 ( 9.442 -6.203 4.032) 11.995 9.861 ( -0.834 -9.966 -4.056) 10.792 9.993 ( -6.657 -3.832 -3.603) 8.484 10.214 ( 6.976 1.196 -9.266) 11.660 10.434 ( -13.272 15.638 -9.244) 22.497 10.726 ( 2.175 -0.453 -0.612) 2.305 11.172 ( -18.245 2.897 -24.246) 30.482 11.293 ( 15.653 -0.357 19.033) 24.645 11.739 ( -9.903 -10.341 -11.232) 18.198 12.171 ( 7.920 -5.397 10.752) 14.403 12.290 ( -17.012 -2.774 -12.506) 21.296 12.745 ( 15.455 -11.832 16.806) 25.716 13.439 ( -7.539 -23.606 15.718) 29.345 13.896 ( -3.448 -15.240 6.228) 16.821 14.053 ( 1.659 5.630 -13.155) 14.405 14.322 ( -0.510 3.542 -12.890) 13.378 14.507 ( 11.965 11.222 5.014) 17.153 14.689 ( 4.448 6.189 3.011) 8.195 14.882 ( 10.503 -1.995 9.803) 14.505 15.102 ( 0.115 -3.703 0.472) 3.735 15.186 ( -0.757 0.669 1.402) 1.728 15.242 ( -2.676 -0.708 -4.115) 4.959 15.375 ( -2.088 3.884 3.071) 5.374 15.400 ( -1.678 -1.016 -2.298) 3.022 15.766 ( -7.949 -8.501 -3.053) 12.032 15.939 ( -3.530 -4.754 16.429) 17.464 22.524 ( -5.112 3.853 -14.453) 15.808 22.679 ( -4.915 -3.139 -5.771) 8.205 22.813 ( 11.467 -2.058 3.748) 12.238 23.555 ( -9.586 -7.256 -8.707) 14.844 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 12.365 -10.862 -14.200) 21.737 2.903 ( -5.730 -11.947 -17.531) 21.975 3.396 ( 14.358 5.472 -3.545) 15.769 3.729 ( -12.136 -0.577 -7.118) 14.081 3.869 ( 8.777 -2.071 -9.091) 12.805 4.044 ( 3.088 6.231 -5.081) 8.613 4.136 ( -3.439 5.720 -4.577) 8.093 4.240 ( -8.764 10.092 -6.563) 14.891 4.505 ( 15.739 -2.885 -7.090) 17.501 4.770 ( -10.487 -12.188 1.005) 16.110 5.107 ( 11.287 12.966 -14.384) 22.415 5.325 ( -9.267 15.049 -6.364) 18.785 5.494 ( 9.959 4.815 -13.733) 17.634 5.602 ( -1.926 7.299 -11.879) 14.075 5.933 ( 25.173 4.897 -39.197) 46.840 6.070 ( 9.994 9.606 -7.569) 15.794 6.570 ( -1.193 2.122 -6.823) 7.244 6.692 ( 4.229 14.331 -14.639) 20.918 6.890 ( 13.637 12.629 -10.368) 21.283 7.066 ( 14.152 12.051 -0.521) 18.596 7.280 ( -3.184 10.350 -1.565) 10.941 7.359 ( -31.130 12.288 -30.092) 45.007 7.430 ( 8.295 -4.540 3.105) 9.953 7.586 ( -6.288 -5.488 -0.722) 8.377 7.748 ( 8.158 10.691 10.799) 17.248 8.047 ( -17.524 13.668 1.805) 22.297 8.162 ( 20.689 14.930 -21.431) 33.320 8.715 ( -14.951 4.381 -11.448) 19.333 9.172 ( -5.330 -4.021 2.234) 7.040 9.252 ( -22.576 -1.656 -19.493) 29.873 9.656 ( 11.447 5.750 -4.384) 13.539 9.824 ( 7.107 -3.761 -0.951) 8.097 9.993 ( 2.978 2.733 -2.788) 4.910 10.234 ( -8.526 -1.058 -7.753) 11.572 10.506 ( 21.492 -2.312 2.200) 21.728 10.844 ( 13.124 8.654 5.796) 16.755 10.928 ( -13.794 -0.462 -4.473) 14.509 11.191 ( -17.170 6.333 5.297) 19.052 11.598 ( 1.242 -11.408 -12.697) 17.114 11.833 ( -19.038 -8.006 -14.332) 25.139 12.753 ( 29.658 -16.202 25.364) 42.255 13.136 ( 15.331 -11.877 22.660) 29.825 13.221 ( -7.383 -18.355 20.855) 28.746 13.639 ( -20.339 -7.575 19.954) 29.483 14.104 ( 4.326 7.713 -18.491) 20.496 14.230 ( -7.053 4.910 -18.629) 20.516 14.768 ( 10.383 -2.232 -1.914) 10.791 14.818 ( 5.598 0.551 -3.479) 6.614 15.027 ( 1.962 -0.687 -3.338) 3.932 15.067 ( -3.531 3.132 2.384) 5.288 15.180 ( 0.678 -4.121 -2.212) 4.726 15.209 ( -0.938 -2.876 1.609) 3.427 15.385 ( 3.598 2.584 8.443) 9.535 15.406 ( 1.282 2.223 2.791) 3.792 15.628 ( -1.912 -4.489 2.278) 5.385 15.776 ( -11.278 -4.269 18.464) 22.053 22.484 ( 1.188 2.602 -15.991) 16.245 22.559 ( -5.603 0.064 -12.259) 13.479 23.073 ( 13.216 -4.581 -2.354) 14.184 23.334 ( -12.047 -6.327 -7.385) 15.483 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.000 18.511 28.530) 34.009 2.555 ( 0.000 24.406 29.063) 37.952 3.218 ( 0.000 14.930 17.558) 23.047 3.240 ( 0.000 -11.421 24.366) 26.910 3.851 ( 0.000 -14.912 23.964) 28.225 3.876 ( 0.000 -7.404 7.086) 10.249 4.070 ( 0.000 0.996 -27.890) 27.908 4.298 ( 0.000 -4.149 -3.671) 5.539 4.595 ( 0.000 5.050 2.706) 5.729 4.598 ( 0.000 25.439 42.673) 49.681 4.983 ( 0.000 4.220 3.685) 5.603 5.484 ( 0.000 5.406 9.709) 11.113 5.524 ( 0.000 6.570 3.186) 7.302 5.796 ( 0.000 10.556 22.237) 24.615 5.956 ( 0.000 13.840 21.139) 25.267 6.009 ( 0.000 3.146 7.986) 8.583 6.088 ( 0.000 8.939 10.722) 13.960 6.248 ( 0.000 -3.116 7.231) 7.874 6.489 ( 0.000 12.239 14.210) 18.755 6.815 ( 0.000 -5.913 21.375) 22.178 6.939 ( 0.000 32.834 21.520) 39.258 7.248 ( 0.000 14.507 5.678) 15.579 7.332 ( 0.000 15.488 15.899) 22.196 7.819 ( 0.000 -17.656 -0.616) 17.666 7.842 ( 0.000 11.621 14.152) 18.312 8.053 ( 0.000 -1.091 -4.415) 4.548 8.109 ( 0.000 6.588 2.747) 7.138 8.121 ( 0.000 -8.179 39.104) 39.950 8.912 ( 0.000 -16.060 20.356) 25.929 9.434 ( 0.000 22.734 17.075) 28.432 9.567 ( 0.000 3.392 3.604) 4.949 9.723 ( 0.000 -1.699 -9.847) 9.993 9.752 ( 0.000 -2.393 -1.127) 2.645 10.582 ( 0.000 -2.638 10.547) 10.872 10.760 ( 0.000 19.354 -15.456) 24.768 10.814 ( 0.000 -9.307 10.486) 14.021 11.158 ( 0.000 -5.465 1.939) 5.799 11.655 ( 0.000 -5.924 -14.672) 15.823 11.912 ( 0.000 -26.918 -8.416) 28.203 11.920 ( 0.000 -9.676 -18.349) 20.744 12.934 ( 0.000 -2.081 -32.258) 32.325 13.044 ( 0.000 -16.420 -9.137) 18.791 13.189 ( 0.000 1.159 -22.504) 22.534 13.527 ( 0.000 -11.544 -30.670) 32.771 14.193 ( 0.000 15.110 10.154) 18.205 14.321 ( 0.000 6.842 14.395) 15.938 14.428 ( 0.000 10.107 -0.938) 10.150 14.701 ( 0.000 7.237 7.266) 10.255 14.818 ( 0.000 0.936 -0.412) 1.022 15.011 ( 0.000 -5.832 7.029) 9.133 15.064 ( 0.000 -3.792 4.046) 5.545 15.147 ( 0.000 0.801 3.093) 3.195 15.332 ( 0.000 0.550 3.784) 3.824 15.401 ( 0.000 -3.735 0.829) 3.826 15.589 ( 0.000 -0.115 -2.399) 2.402 15.817 ( 0.000 -20.187 -4.572) 20.699 22.453 ( 0.000 3.200 8.930) 9.486 22.605 ( 0.000 -1.862 -1.649) 2.487 23.019 ( 0.000 7.458 -1.719) 7.654 23.679 ( 0.000 -12.158 -1.881) 12.303 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 5.239 18.377 24.258) 30.880 2.571 ( -0.626 17.311 27.123) 32.183 3.034 ( -4.222 -0.896 19.343) 19.819 3.464 ( 11.943 -0.421 10.697) 16.039 3.821 ( -2.074 -4.556 3.335) 6.015 3.927 ( 5.489 -2.010 8.394) 10.229 4.052 ( -3.175 0.464 -12.007) 12.428 4.362 ( -0.889 0.613 -13.271) 13.315 4.564 ( 0.292 11.020 21.288) 23.973 4.625 ( 0.827 3.539 10.172) 10.801 4.918 ( 1.997 9.355 12.374) 15.641 5.386 ( -6.292 8.413 10.562) 14.897 5.525 ( -0.798 14.014 11.917) 18.413 5.556 ( -17.008 4.852 12.002) 21.374 5.885 ( 1.041 3.105 2.338) 4.024 6.099 ( 4.171 0.930 9.828) 10.717 6.175 ( -0.855 3.482 10.467) 11.065 6.400 ( 9.507 10.135 5.979) 15.128 6.512 ( 8.458 9.186 17.859) 21.791 6.723 ( -4.008 -1.525 2.470) 4.948 6.923 ( -0.974 25.474 18.568) 31.538 7.186 ( 1.508 21.481 11.750) 24.531 7.553 ( 10.914 12.200 10.881) 19.656 7.823 ( -0.034 12.106 6.129) 13.569 7.927 ( 7.153 -6.280 9.272) 13.288 8.055 ( 10.605 4.623 16.444) 20.105 8.211 ( 12.669 1.476 -10.009) 16.213 8.685 ( 25.910 -10.559 21.623) 35.361 9.028 ( 18.845 -8.046 27.565) 34.347 9.446 ( 1.059 15.959 19.073) 24.892 9.551 ( -1.433 5.036 2.941) 6.006 9.671 ( -6.633 -0.922 -8.201) 10.587 9.803 ( 7.464 -0.592 -5.729) 9.428 10.382 ( -14.030 -2.521 4.960) 15.093 10.588 ( -13.154 2.624 -2.860) 13.715 10.892 ( -0.511 6.164 -8.369) 10.406 11.201 ( -16.289 -3.236 -15.338) 22.607 11.379 ( 6.626 -5.897 5.750) 10.570 11.872 ( -0.621 -22.390 -7.615) 23.658 12.194 ( 8.831 -9.124 -12.970) 18.151 12.838 ( -7.581 -3.460 -27.976) 29.191 12.969 ( -16.886 -7.746 -21.751) 28.605 13.092 ( -7.087 -12.889 -13.689) 20.094 13.287 ( -10.358 -17.605 -17.748) 27.059 14.222 ( 3.149 13.734 7.852) 16.130 14.398 ( -1.546 10.652 -1.169) 10.827 14.452 ( 7.817 6.859 12.029) 15.901 14.674 ( 0.354 11.240 7.212) 13.359 14.804 ( -0.293 1.708 -1.454) 2.262 15.081 ( 0.679 -1.042 2.638) 2.916 15.104 ( 3.135 -3.848 2.201) 5.430 15.240 ( 7.655 -0.341 4.908) 9.100 15.347 ( -0.064 -4.436 1.380) 4.647 15.452 ( 6.410 -5.706 4.867) 9.866 15.565 ( -1.945 -0.787 -2.097) 2.966 15.795 ( -1.593 -17.484 -3.815) 17.966 22.480 ( 2.825 2.262 8.506) 9.244 22.636 ( 2.304 -3.547 -0.631) 4.277 22.954 ( -5.972 7.830 -3.848) 10.573 23.638 ( -3.892 -12.447 -3.431) 13.485 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 12.596 17.269 4.734) 21.893 2.648 ( 12.426 10.688 4.941) 17.119 3.155 ( 15.886 -3.026 -1.192) 16.216 3.571 ( -8.606 -1.092 -12.665) 15.351 3.800 ( 1.163 -0.686 -4.131) 4.346 3.973 ( -0.531 8.427 -10.739) 13.661 4.074 ( 10.082 0.358 2.084) 10.301 4.226 ( -5.946 6.850 0.660) 9.095 4.501 ( -9.534 -2.157 0.801) 9.808 4.709 ( 5.065 -7.477 0.703) 9.059 5.062 ( 2.897 1.688 0.556) 3.399 5.274 ( -9.195 2.568 5.189) 10.866 5.293 ( -2.730 1.761 -4.432) 5.495 5.628 ( 13.213 12.317 15.153) 23.578 5.865 ( -0.871 3.531 5.556) 6.641 6.181 ( 8.883 14.126 10.277) 19.598 6.268 ( 7.786 19.927 9.002) 23.211 6.461 ( 5.455 5.260 4.587) 8.858 6.727 ( 3.263 3.832 -4.532) 6.773 6.833 ( 9.219 10.649 10.189) 17.384 7.008 ( 15.140 11.880 7.602) 20.692 7.271 ( 5.647 18.083 12.936) 22.940 7.699 ( 1.779 -1.380 1.318) 2.609 7.811 ( -1.102 22.862 7.396) 24.054 8.171 ( 16.783 -1.395 4.800) 17.512 8.324 ( 14.080 15.756 8.635) 22.827 8.516 ( 14.910 16.944 -0.931) 22.590 8.963 ( 10.292 -8.240 12.334) 18.054 9.253 ( -16.536 7.991 -2.982) 18.606 9.420 ( 0.250 9.796 -2.361) 10.079 9.578 ( -1.548 -1.893 -1.554) 2.898 9.768 ( 10.831 1.400 1.421) 11.013 9.884 ( -14.388 -11.822 -11.181) 21.720 10.148 ( 4.360 -0.557 2.099) 4.871 10.419 ( 9.599 -5.491 12.419) 16.629 10.686 ( -4.659 5.451 -5.278) 8.903 11.094 ( 0.658 14.855 5.352) 15.803 11.552 ( 2.757 -18.940 3.414) 19.442 11.789 ( -11.662 -5.534 -22.220) 25.697 12.174 ( -10.217 -6.903 -7.352) 14.356 12.414 ( -19.357 -6.643 -13.330) 24.423 12.623 ( -14.536 -4.941 -23.136) 27.767 13.056 ( -1.416 -22.710 1.456) 22.801 13.231 ( 2.394 -32.753 -6.096) 33.401 14.274 ( -0.103 12.600 -5.562) 13.773 14.392 ( 2.878 9.419 -0.264) 9.852 14.581 ( 6.405 2.889 10.441) 12.585 14.690 ( -0.488 10.487 2.121) 10.710 14.888 ( 7.494 9.678 4.446) 13.023 15.056 ( -2.496 -0.919 -0.649) 2.738 15.153 ( 2.095 -3.141 2.998) 4.821 15.282 ( -3.209 -1.283 -0.446) 3.485 15.359 ( 1.671 -3.840 0.775) 4.259 15.485 ( -3.127 0.114 0.095) 3.130 15.612 ( 2.512 -12.268 4.171) 13.199 15.794 ( 2.355 -10.474 5.036) 11.858 22.570 ( 5.683 -0.379 6.078) 8.329 22.665 ( 0.205 -4.121 -0.320) 4.139 22.802 ( -7.924 8.203 -8.971) 14.511 23.526 ( -6.876 -12.905 -6.945) 16.188 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 15.511 16.076 -13.168) 25.931 2.946 ( 7.351 13.656 -11.904) 19.551 3.395 ( 0.330 7.937 -15.876) 17.752 3.534 ( 15.037 -1.848 -9.712) 17.996 3.780 ( -2.367 -11.509 -10.163) 15.536 4.026 ( 3.570 -1.401 -9.523) 10.266 4.181 ( -5.653 -4.145 -6.005) 9.230 4.229 ( 6.307 4.380 -5.979) 9.732 4.373 ( 6.135 -4.890 -8.576) 11.624 4.699 ( -9.492 -12.472 5.073) 16.473 5.044 ( -4.209 -5.324 3.415) 7.598 5.109 ( 2.396 0.393 -10.175) 10.461 5.429 ( 15.202 0.868 -27.860) 31.750 5.692 ( 0.381 -4.724 -11.698) 12.622 6.074 ( 8.235 18.927 8.563) 22.346 6.329 ( -1.108 28.335 1.064) 28.377 6.575 ( 9.227 6.217 5.664) 12.484 6.625 ( 25.809 19.871 5.907) 33.104 6.851 ( 9.725 6.567 -7.697) 14.034 7.037 ( 13.344 7.688 1.498) 15.473 7.320 ( 6.935 5.348 -4.675) 9.927 7.434 ( 14.069 9.584 19.416) 25.822 7.662 ( -3.894 4.572 -0.366) 6.016 7.763 ( -4.179 20.674 4.142) 21.495 8.410 ( 3.406 22.141 -9.050) 24.160 8.508 ( -12.993 12.669 -21.477) 28.118 8.723 ( -2.314 22.106 -1.150) 22.256 8.801 ( -13.602 13.538 -9.229) 21.295 9.126 ( -0.826 5.375 -6.711) 8.638 9.277 ( 10.586 -9.713 4.070) 14.932 9.558 ( 2.081 6.800 1.822) 7.341 9.705 ( 8.973 -6.437 7.055) 13.104 9.967 ( -4.891 1.039 -3.442) 6.071 10.127 ( 2.579 -8.557 -13.839) 16.474 10.684 ( 7.306 9.373 5.185) 12.966 10.780 ( -6.203 5.427 -7.237) 10.968 11.225 ( 9.418 -8.875 12.958) 18.314 11.301 ( -19.563 9.345 -18.334) 28.394 11.517 ( -1.488 -9.137 -2.158) 9.505 12.038 ( -4.423 -8.090 0.538) 9.236 12.235 ( -16.934 -2.340 -9.158) 19.393 12.416 ( 12.075 -22.206 12.555) 28.223 12.961 ( -7.583 -26.805 9.451) 29.416 13.297 ( 0.828 -41.609 2.118) 41.671 14.254 ( -0.302 12.935 -14.275) 19.266 14.435 ( -1.054 7.536 -11.449) 13.747 14.710 ( 3.874 5.226 2.624) 7.014 14.744 ( 7.692 1.799 6.509) 10.236 14.985 ( 0.754 8.299 1.944) 8.557 15.037 ( 2.681 0.710 3.944) 4.821 15.179 ( 0.271 -2.627 2.412) 3.577 15.216 ( -1.687 -0.686 0.869) 2.017 15.381 ( 0.029 -0.281 -0.282) 0.399 15.425 ( -1.891 0.961 3.405) 4.011 15.580 ( -3.749 -9.864 0.806) 10.583 15.810 ( -3.015 -8.780 15.748) 18.281 22.617 ( -2.967 0.179 -6.413) 7.068 22.643 ( -3.795 5.759 -10.798) 12.813 22.757 ( 7.625 -3.506 0.323) 8.398 23.364 ( -8.910 -12.633 -9.631) 18.213 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 9.359 15.480 -21.201) 27.869 2.908 ( -6.038 11.252 -22.094) 25.519 3.513 ( 7.147 7.442 -1.440) 10.418 3.677 ( -7.971 -4.554 -6.821) 11.437 3.748 ( 9.311 -7.406 -3.473) 12.394 3.971 ( -10.251 -10.569 -2.280) 14.899 4.200 ( 10.916 2.204 -4.979) 12.199 4.401 ( -4.093 0.836 -3.498) 5.449 4.464 ( 3.224 -2.461 -5.009) 6.445 4.516 ( -0.976 -11.378 2.418) 11.673 5.047 ( 5.384 -11.880 -2.637) 13.307 5.162 ( -2.142 -12.147 -8.397) 14.921 5.770 ( 14.074 8.957 -38.038) 41.535 5.938 ( 23.958 -0.514 -34.427) 41.947 6.040 ( -10.170 20.156 -17.229) 28.400 6.276 ( -6.258 5.586 -17.750) 19.632 6.723 ( 11.866 16.614 -6.438) 21.407 7.004 ( -3.350 13.497 -12.977) 19.021 7.130 ( 18.139 11.421 -1.382) 21.479 7.333 ( 12.010 4.645 -4.308) 13.579 7.378 ( 3.057 0.261 -5.190) 6.029 7.476 ( -13.991 7.159 -16.962) 23.124 7.626 ( -7.116 8.126 -9.572) 14.432 7.641 ( -6.764 20.016 6.270) 22.039 8.028 ( 2.552 20.366 -2.571) 20.686 8.335 ( -19.474 19.666 -0.126) 27.676 8.601 ( 11.646 22.598 -4.134) 25.756 8.828 ( -4.444 8.014 -0.502) 9.177 9.200 ( 4.211 17.030 1.482) 17.606 9.375 ( -9.333 14.680 -4.268) 17.911 9.726 ( 9.892 2.350 -7.057) 12.376 9.798 ( 2.265 3.452 -7.165) 8.269 9.977 ( 7.404 -4.817 -0.869) 8.876 10.139 ( -4.772 -8.552 -12.295) 15.719 10.572 ( 6.773 8.887 -6.728) 13.043 10.914 ( -13.897 -1.699 1.289) 14.060 11.026 ( 11.350 7.978 9.610) 16.877 11.335 ( 1.601 -13.150 -11.754) 17.710 11.351 ( -8.222 10.237 5.784) 14.348 11.696 ( -23.174 -3.728 -11.203) 26.009 12.394 ( 20.622 -20.715 17.339) 33.986 12.730 ( -6.836 -25.568 13.625) 29.767 12.812 ( 14.945 -31.023 20.288) 39.968 13.179 ( -13.142 -39.166 13.012) 43.312 14.284 ( 3.172 11.419 -17.945) 21.505 14.367 ( -4.439 9.360 -17.778) 20.576 14.780 ( 2.322 0.186 -2.385) 3.334 14.814 ( -0.778 -1.667 -4.192) 4.578 15.064 ( 6.785 4.557 1.911) 8.394 15.107 ( 3.857 2.614 5.261) 7.028 15.173 ( -2.502 1.130 3.101) 4.141 15.185 ( -2.858 3.162 2.839) 5.121 15.391 ( 3.756 -1.258 8.440) 9.323 15.427 ( 0.639 -0.676 3.963) 4.071 15.520 ( -0.064 -6.507 4.129) 7.707 15.662 ( -10.278 -7.599 16.693) 21.025 22.563 ( -0.960 5.494 -13.922) 14.998 22.581 ( -2.329 3.169 -11.907) 12.539 22.953 ( 10.504 -7.826 -4.300) 13.786 23.167 ( -10.261 -10.941 -8.860) 17.421 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.000 27.252 26.418) 37.955 2.874 ( 0.000 -12.891 24.696) 27.858 3.048 ( 0.000 11.806 27.495) 29.923 3.318 ( 0.000 -8.865 22.271) 23.971 3.794 ( 0.000 10.252 -6.464) 12.120 3.825 ( 0.000 3.749 1.601) 4.077 4.002 ( 0.000 -7.756 -27.727) 28.791 4.035 ( 0.000 -15.824 -1.368) 15.883 4.717 ( 0.000 7.298 6.536) 9.797 4.830 ( 0.000 -2.382 11.050) 11.303 5.212 ( 0.000 15.256 -3.367) 15.623 5.450 ( 0.000 -8.663 -2.036) 8.899 5.801 ( 0.000 15.341 14.133) 20.859 5.903 ( 0.000 -4.514 18.334) 18.881 5.941 ( 0.000 11.264 25.874) 28.219 6.161 ( 0.000 12.141 24.714) 27.535 6.165 ( 0.000 -3.856 15.318) 15.796 6.419 ( 0.000 3.586 29.715) 29.931 6.548 ( 0.000 -11.488 16.132) 19.805 6.587 ( 0.000 -0.149 19.277) 19.278 7.186 ( 0.000 6.776 17.037) 18.335 7.390 ( 0.000 -8.372 13.890) 16.218 7.521 ( 0.000 -1.948 11.541) 11.705 7.595 ( 0.000 -1.781 18.611) 18.696 7.959 ( 0.000 0.445 14.171) 14.178 8.003 ( 0.000 -3.112 -10.030) 10.502 8.340 ( 0.000 13.829 21.681) 25.716 8.543 ( 0.000 3.980 13.844) 14.405 8.830 ( 0.000 43.577 17.660) 47.019 9.502 ( 0.000 -14.126 -2.014) 14.269 9.692 ( 0.000 2.147 -2.277) 3.130 9.743 ( 0.000 -0.787 10.063) 10.094 9.947 ( 0.000 29.383 19.884) 35.478 10.445 ( 0.000 -11.075 14.704) 18.408 10.586 ( 0.000 -8.791 9.573) 12.997 10.791 ( 0.000 -36.873 4.982) 37.208 11.164 ( 0.000 19.037 -19.605) 27.327 11.463 ( 0.000 -14.104 -17.429) 22.421 11.584 ( 0.000 1.188 -9.032) 9.110 11.722 ( 0.000 -10.564 -12.676) 16.501 12.846 ( 0.000 -3.771 -19.294) 19.659 12.865 ( 0.000 -4.041 -27.633) 27.927 13.247 ( 0.000 4.689 -29.241) 29.615 13.356 ( 0.000 -6.987 -32.526) 33.268 14.462 ( 0.000 11.417 6.930) 13.356 14.480 ( 0.000 8.652 10.928) 13.939 14.612 ( 0.000 9.077 0.258) 9.081 14.766 ( 0.000 -6.683 1.639) 6.881 14.796 ( 0.000 -0.875 2.241) 2.406 14.856 ( 0.000 -9.034 7.588) 11.799 15.068 ( 0.000 7.174 4.468) 8.452 15.157 ( 0.000 0.530 -1.250) 1.357 15.330 ( 0.000 -2.666 2.005) 3.335 15.391 ( 0.000 -0.466 0.568) 0.734 15.476 ( 0.000 -9.217 3.855) 9.991 15.537 ( 0.000 -4.843 0.831) 4.914 22.514 ( 0.000 3.130 3.961) 5.048 22.566 ( 0.000 -2.349 -0.187) 2.356 23.195 ( 0.000 11.249 -1.908) 11.410 23.432 ( 0.000 -13.458 -1.882) 13.589 ======================= Grid point 154 (57/100) ======================= q-point: ( 0.11 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 3.795 25.633 22.553) 34.353 2.849 ( -9.470 -7.549 26.633) 29.257 2.923 ( 1.158 9.815 17.771) 20.334 3.260 ( -1.452 -18.717 12.530) 22.571 3.879 ( 6.988 7.846 -7.457) 12.884 3.957 ( 5.040 1.920 -3.537) 6.449 4.070 ( 10.106 2.988 -18.118) 20.960 4.235 ( 13.484 -11.220 -12.357) 21.457 4.613 ( -9.544 4.844 4.396) 11.571 4.703 ( -11.844 -2.204 8.936) 14.999 5.171 ( -1.141 13.771 -2.281) 14.005 5.402 ( -4.551 -7.795 -1.039) 9.086 5.666 ( -19.738 5.376 19.635) 28.355 5.730 ( -14.323 -1.728 19.493) 24.251 5.928 ( 9.691 14.223 12.713) 21.397 6.115 ( 6.462 -3.737 9.435) 12.031 6.277 ( 5.906 12.038 26.441) 29.647 6.516 ( -2.825 -1.868 10.002) 10.560 6.569 ( 11.570 -1.326 27.015) 29.418 6.625 ( 4.715 -4.999 3.619) 7.767 7.163 ( 1.494 12.963 11.695) 17.523 7.444 ( -1.567 -11.093 4.452) 12.055 7.628 ( 7.931 2.260 16.327) 18.291 7.701 ( 6.366 -3.778 9.002) 11.655 8.122 ( 14.810 1.827 5.721) 15.982 8.177 ( 18.461 -3.220 13.657) 23.189 8.659 ( 19.280 25.906 21.864) 38.998 8.702 ( 15.119 16.638 8.059) 23.882 8.984 ( 21.241 16.619 26.335) 37.695 9.454 ( -3.848 -10.943 0.295) 11.603 9.668 ( -4.496 2.406 -1.059) 5.208 9.732 ( 1.227 -0.714 2.902) 3.231 9.979 ( 1.226 25.159 15.663) 29.661 10.333 ( -7.563 -1.235 7.954) 11.045 10.549 ( -11.110 -7.962 -3.505) 14.111 10.794 ( 3.286 -30.656 8.784) 32.059 11.050 ( -9.951 2.326 -16.179) 19.136 11.213 ( -9.290 -13.857 -10.593) 19.762 11.684 ( 7.947 11.324 -5.657) 14.946 11.966 ( 11.221 -14.890 -8.646) 20.552 12.783 ( -8.774 -2.017 -27.517) 28.952 12.805 ( -4.679 -5.621 -18.067) 19.491 12.985 ( -23.306 -0.146 -26.733) 35.467 13.055 ( -21.086 -7.492 -25.478) 33.910 14.479 ( 1.603 12.324 4.653) 13.271 14.577 ( 3.551 4.135 5.162) 7.507 14.603 ( -0.256 10.492 -0.272) 10.499 14.758 ( -1.313 -5.597 -1.622) 5.973 14.857 ( 7.463 4.479 4.476) 9.787 14.994 ( 9.071 -9.360 7.711) 15.144 15.081 ( 1.930 3.154 4.464) 5.797 15.159 ( -0.323 -3.045 -0.480) 3.099 15.356 ( 1.917 0.451 2.454) 3.146 15.379 ( 0.231 -0.078 0.912) 0.944 15.503 ( 1.166 -6.072 3.385) 7.049 15.528 ( 0.571 -6.902 1.695) 7.130 22.527 ( 1.373 2.627 4.139) 5.091 22.578 ( 1.023 -2.780 0.757) 3.057 23.139 ( -5.269 11.724 -3.863) 13.422 23.384 ( -4.492 -13.900 -3.622) 15.050 ======================= Grid point 155 (58/100) ======================= q-point: ( 0.22 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 11.311 21.941 0.651) 24.694 2.806 ( 10.684 2.918 0.958) 11.117 3.107 ( 16.236 0.958 -1.080) 16.300 3.326 ( 6.645 -18.838 1.620) 20.041 3.899 ( -8.464 8.955 -11.726) 17.010 4.035 ( 5.296 -4.289 -7.843) 10.390 4.162 ( -7.984 9.725 -9.916) 16.020 4.332 ( -5.964 -2.408 -11.204) 12.919 4.422 ( -10.218 -0.070 7.696) 12.792 4.542 ( 2.554 -8.626 -1.684) 9.152 5.170 ( -3.000 10.382 0.242) 10.810 5.291 ( -1.851 -0.280 -7.674) 7.899 5.314 ( -14.349 1.519 5.718) 15.521 5.490 ( -3.752 -14.915 -2.697) 15.615 6.237 ( 16.947 20.172 15.133) 30.383 6.385 ( 12.348 9.788 11.381) 19.437 6.423 ( 14.619 -0.129 10.440) 17.965 6.535 ( 5.554 -1.255 8.667) 10.370 6.758 ( 9.960 1.990 2.991) 10.588 6.827 ( 11.528 -3.948 16.928) 20.858 7.238 ( 5.728 11.613 4.587) 13.737 7.422 ( -0.121 -5.789 3.232) 6.631 7.721 ( 4.177 4.506 7.697) 9.849 7.890 ( 11.708 -10.736 6.816) 17.286 8.440 ( 13.095 7.193 1.001) 14.974 8.518 ( 11.653 7.871 9.049) 16.722 8.885 ( 12.783 22.186 6.197) 26.345 9.176 ( 18.690 13.232 11.870) 25.794 9.373 ( -3.851 8.523 4.254) 10.275 9.520 ( 0.718 6.808 -2.278) 7.215 9.556 ( 5.557 0.787 -6.681) 8.725 9.731 ( -0.777 -3.616 5.379) 6.528 9.976 ( 2.016 13.355 5.896) 14.737 10.180 ( -1.868 0.855 -1.019) 2.293 10.283 ( -7.916 1.571 0.540) 8.088 10.784 ( 0.142 -10.687 4.267) 11.508 10.977 ( 2.193 -13.781 2.000) 14.097 11.213 ( 5.527 -17.134 3.792) 18.398 11.786 ( 0.989 10.584 -3.420) 11.167 12.018 ( -10.714 -9.839 -8.006) 16.604 12.385 ( -20.757 4.603 -25.189) 32.963 12.577 ( -14.523 -1.060 -15.503) 21.270 12.649 ( -12.584 -18.063 -17.178) 27.924 12.739 ( -9.471 -15.126 -10.798) 20.859 14.506 ( 0.567 11.264 -2.772) 11.614 14.574 ( -0.671 9.256 -3.260) 9.837 14.632 ( 2.108 0.089 1.139) 2.398 14.726 ( -1.487 -5.844 -4.713) 7.654 15.030 ( 6.598 3.591 7.230) 10.426 15.088 ( 1.408 0.905 3.998) 4.334 15.120 ( 0.974 -0.254 2.272) 2.485 15.169 ( 1.564 -3.495 3.588) 5.248 15.374 ( 1.164 3.017 1.969) 3.786 15.437 ( 2.385 -4.407 4.329) 6.623 15.485 ( -1.194 0.430 2.528) 2.829 15.596 ( 3.818 -10.017 8.123) 13.449 22.572 ( 2.886 0.819 2.828) 4.123 22.603 ( 1.558 -2.469 1.112) 3.124 23.000 ( -7.769 12.570 -8.559) 17.077 23.261 ( -7.227 -14.666 -7.678) 18.063 ======================= Grid point 156 (59/100) ======================= q-point: ( 0.33 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 14.644 22.410 -13.731) 30.087 3.164 ( 14.262 1.182 -15.146) 20.837 3.498 ( 11.431 -3.221 -7.452) 14.021 3.508 ( 16.294 -1.096 -12.745) 20.716 3.660 ( -9.856 10.906 -11.615) 18.734 3.962 ( -7.063 -10.494 -11.787) 17.290 4.086 ( -8.401 -4.162 -4.569) 10.430 4.126 ( 0.394 -11.264 -0.405) 11.278 4.326 ( 0.127 7.037 -0.360) 7.047 4.502 ( -5.496 -10.625 -0.168) 11.964 5.029 ( -8.099 3.621 -0.370) 8.879 5.098 ( -6.567 -2.434 -3.435) 7.800 5.465 ( 15.750 3.622 -31.470) 35.377 5.570 ( 11.044 -7.038 -23.696) 27.074 6.355 ( -0.384 11.143 11.834) 16.259 6.497 ( -4.109 -3.157 9.588) 10.898 6.752 ( 13.946 9.871 2.077) 17.211 6.856 ( 18.617 0.852 3.462) 18.956 7.022 ( 14.080 9.570 -4.345) 17.570 7.092 ( 16.499 1.943 0.202) 16.614 7.348 ( 2.942 2.479 -0.475) 3.876 7.473 ( 5.565 -6.832 4.045) 9.695 7.857 ( 8.654 15.071 2.354) 17.538 8.079 ( 0.428 -0.502 -8.610) 8.635 8.543 ( 2.720 7.252 -4.937) 9.185 8.649 ( -10.884 0.376 -17.560) 20.663 9.012 ( -10.914 3.372 -5.485) 12.671 9.044 ( -14.331 0.348 -17.006) 22.242 9.288 ( 11.301 15.330 8.776) 20.970 9.513 ( 8.030 -8.681 6.322) 13.409 9.769 ( 17.157 44.383 8.065) 48.262 9.808 ( 0.876 11.402 -3.134) 11.857 9.970 ( 0.561 -0.717 -11.989) 12.024 10.150 ( -1.596 23.736 4.108) 24.142 10.570 ( 19.063 -22.854 16.922) 34.235 10.809 ( -3.706 -30.875 4.394) 31.405 11.030 ( 4.235 18.134 0.473) 18.628 11.388 ( 9.606 -11.270 11.810) 18.941 11.568 ( -14.945 15.045 -14.205) 25.524 11.835 ( -1.943 -13.349 3.482) 13.932 12.098 ( -10.695 -2.330 -6.703) 12.836 12.266 ( -17.399 6.525 -8.104) 20.272 12.405 ( -9.188 -30.577 -8.416) 33.018 12.590 ( -6.743 -26.740 2.712) 27.710 14.499 ( -0.360 12.507 -11.331) 16.880 14.578 ( -0.085 7.134 -7.959) 10.688 14.678 ( 2.087 -4.752 -3.982) 6.542 14.713 ( 0.407 -7.597 -5.674) 9.491 15.090 ( 1.314 6.644 5.207) 8.543 15.137 ( 2.226 0.276 6.005) 6.410 15.142 ( 3.952 1.284 5.072) 6.557 15.225 ( 3.092 -0.741 5.656) 6.488 15.389 ( -0.315 2.198 3.024) 3.751 15.433 ( -1.664 -1.975 2.629) 3.686 15.458 ( -2.471 1.861 7.288) 7.917 15.620 ( -2.468 -11.009 13.615) 17.682 22.617 ( 1.518 1.522 -3.130) 3.797 22.670 ( 5.080 -3.717 -0.781) 6.343 22.845 ( -6.926 12.301 -12.799) 19.055 23.103 ( -7.974 -14.476 -11.082) 19.898 ======================= Grid point 157 (60/100) ======================= q-point: ( 0.44 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 7.715 20.246 -16.889) 27.471 3.230 ( -2.912 18.575 -13.808) 23.327 3.497 ( -1.203 -11.894 -7.040) 13.874 3.561 ( -5.356 -7.673 -3.250) 9.906 3.757 ( 5.198 8.111 -2.857) 10.049 3.859 ( -4.319 4.082 -4.546) 7.482 4.067 ( 1.874 -18.594 -3.218) 18.963 4.119 ( -0.521 -14.225 -6.415) 15.613 4.478 ( 11.380 6.267 -1.131) 13.041 4.573 ( 11.693 2.036 -4.841) 12.818 4.847 ( -7.772 -4.370 -1.529) 9.047 4.948 ( -9.563 -10.492 -3.155) 14.542 5.876 ( 22.170 3.606 -42.322) 47.913 5.925 ( 21.646 -1.498 -35.603) 41.694 6.250 ( -11.619 5.404 -11.959) 17.527 6.305 ( -14.153 -0.964 -15.809) 21.241 7.022 ( 15.061 12.471 -9.451) 21.718 7.176 ( 13.673 -3.538 -6.689) 15.627 7.225 ( 3.128 9.092 -8.609) 12.906 7.345 ( 2.369 -3.264 -7.453) 8.474 7.417 ( 6.826 6.613 -3.717) 10.205 7.574 ( 4.658 -8.295 0.278) 9.517 7.698 ( -24.502 11.828 -32.623) 42.480 7.844 ( -20.391 -1.667 -21.232) 29.485 8.447 ( 11.215 21.220 -0.854) 24.016 8.716 ( 10.469 -5.401 5.452) 12.981 8.754 ( -14.017 16.611 5.603) 22.445 8.898 ( -6.922 -1.272 7.320) 10.155 9.598 ( 14.177 9.765 -0.835) 17.234 9.754 ( 3.741 5.302 -4.450) 7.868 9.811 ( 5.026 -4.976 -2.799) 7.607 9.956 ( -3.885 -6.884 -13.286) 15.460 10.062 ( 11.522 40.697 1.441) 42.321 10.162 ( 0.886 33.781 4.080) 34.038 10.660 ( -4.115 -15.294 1.679) 15.927 10.717 ( -3.894 -14.255 3.359) 15.154 11.174 ( 8.573 17.818 0.947) 19.796 11.330 ( -3.102 11.578 -4.340) 12.748 11.533 ( -3.949 5.347 5.167) 8.419 11.705 ( -11.734 -5.982 -0.713) 13.190 12.052 ( 4.625 -8.941 7.179) 12.364 12.125 ( 10.475 -31.153 9.209) 34.133 12.235 ( -7.698 -24.958 2.290) 26.218 12.408 ( -11.855 -32.652 9.252) 35.948 14.512 ( 1.627 12.062 -14.174) 18.682 14.554 ( -2.037 9.799 -13.222) 16.582 14.708 ( 1.001 -7.356 -9.417) 11.991 14.721 ( -0.159 -7.995 -8.229) 11.474 15.169 ( 5.447 5.372 8.760) 11.631 15.191 ( 3.871 4.208 11.174) 12.552 15.242 ( 3.334 3.422 8.042) 9.354 15.262 ( -1.061 4.319 8.791) 9.852 15.362 ( -0.424 -0.544 4.552) 4.604 15.393 ( -1.009 -1.459 3.173) 3.636 15.404 ( -1.819 -4.737 6.098) 7.933 15.500 ( -8.116 -9.177 12.449) 17.466 22.655 ( 2.472 6.071 -9.132) 11.242 22.725 ( -4.393 10.157 -12.880) 16.981 22.795 ( 6.578 -8.316 -6.934) 12.669 22.943 ( -7.637 -12.348 -10.933) 18.175 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( 0.000 0.000 24.699) 24.699 2.742 ( 0.000 0.000 33.083) 33.083 3.378 ( 0.000 0.000 -1.728) 1.728 3.820 ( 0.000 0.000 -3.019) 3.019 3.824 ( 0.000 0.000 21.151) 21.151 3.843 ( 0.000 0.000 5.858) 5.858 4.090 ( 0.000 0.000 -10.999) 10.999 4.500 ( 0.000 0.000 0.679) 0.679 4.678 ( 0.000 0.000 6.096) 6.096 4.815 ( 0.000 0.000 10.005) 10.005 4.909 ( 0.000 0.000 -13.230) 13.230 5.044 ( 0.000 0.000 13.097) 13.097 5.324 ( 0.000 0.000 15.771) 15.771 5.777 ( 0.000 0.000 -0.415) 0.415 6.082 ( 0.000 0.000 16.334) 16.334 6.207 ( 0.000 0.000 0.521) 0.521 6.279 ( 0.000 0.000 4.973) 4.973 6.286 ( 0.000 0.000 47.484) 47.484 6.304 ( 0.000 0.000 40.687) 40.687 6.542 ( 0.000 0.000 10.363) 10.363 6.636 ( 0.000 0.000 -9.198) 9.198 7.601 ( 0.000 0.000 24.670) 24.670 7.679 ( 0.000 0.000 -19.988) 19.988 7.707 ( 0.000 0.000 2.564) 2.564 8.228 ( 0.000 0.000 19.170) 19.170 8.288 ( 0.000 0.000 -6.288) 6.288 8.300 ( 0.000 0.000 61.109) 61.109 8.975 ( 0.000 0.000 1.459) 1.459 9.419 ( 0.000 0.000 8.490) 8.490 9.433 ( 0.000 0.000 -15.446) 15.446 9.521 ( 0.000 0.000 -10.403) 10.403 9.552 ( 0.000 0.000 1.757) 1.757 9.677 ( 0.000 0.000 -7.129) 7.129 9.930 ( 0.000 0.000 28.158) 28.158 10.845 ( 0.000 0.000 16.952) 16.952 11.227 ( 0.000 0.000 -31.412) 31.412 11.411 ( 0.000 0.000 16.294) 16.294 11.527 ( 0.000 0.000 9.312) 9.312 11.629 ( 0.000 0.000 -11.097) 11.097 12.043 ( 0.000 0.000 -19.084) 19.084 12.294 ( 0.000 0.000 -31.084) 31.084 12.875 ( 0.000 0.000 -13.427) 13.427 13.087 ( 0.000 0.000 -30.447) 30.447 13.382 ( 0.000 0.000 -18.758) 18.758 14.164 ( 0.000 0.000 13.992) 13.992 14.186 ( 0.000 0.000 2.507) 2.507 14.472 ( 0.000 0.000 19.610) 19.610 14.685 ( 0.000 0.000 -2.475) 2.475 15.101 ( 0.000 0.000 -5.007) 5.007 15.151 ( 0.000 0.000 12.298) 12.298 15.154 ( 0.000 0.000 5.053) 5.053 15.175 ( 0.000 0.000 -1.214) 1.214 15.328 ( 0.000 0.000 -1.946) 1.946 15.511 ( 0.000 0.000 2.466) 2.466 15.518 ( 0.000 0.000 1.869) 1.869 16.047 ( 0.000 0.000 -12.403) 12.403 22.699 ( 0.000 0.000 2.350) 2.350 22.752 ( 0.000 0.000 20.280) 20.280 22.846 ( 0.000 0.000 -1.931) 1.931 23.831 ( 0.000 0.000 -8.252) 8.252 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 5.231 0.000 23.093) 23.678 2.764 ( 0.761 0.000 28.024) 28.034 3.393 ( 1.318 0.000 -0.789) 1.536 3.640 ( -11.071 0.000 17.688) 20.867 3.861 ( 1.376 0.000 -9.371) 9.471 3.966 ( 6.478 0.000 3.766) 7.493 4.094 ( -1.439 0.000 -5.690) 5.869 4.398 ( -10.193 0.000 0.392) 10.200 4.535 ( -11.318 0.000 4.704) 12.256 4.831 ( 0.801 0.000 10.134) 10.166 4.908 ( -0.083 0.000 -11.922) 11.922 5.065 ( -4.349 0.000 17.759) 18.283 5.237 ( -6.658 0.000 21.325) 22.341 5.746 ( -3.347 0.000 4.971) 5.993 5.904 ( -6.573 0.000 33.133) 33.779 5.912 ( -23.438 0.000 28.790) 37.124 6.318 ( 7.268 0.000 3.368) 8.011 6.326 ( -4.895 0.000 5.543) 7.395 6.365 ( -2.565 0.000 17.016) 17.208 6.557 ( 6.649 0.000 7.509) 10.030 6.696 ( 9.241 0.000 7.198) 11.713 7.698 ( 7.628 0.000 20.355) 21.738 7.701 ( -7.374 0.000 2.914) 7.929 7.755 ( -18.658 0.000 23.499) 30.005 7.870 ( 11.941 0.000 -11.696) 16.715 8.092 ( -5.290 0.000 13.708) 14.693 8.380 ( -4.412 0.000 5.606) 7.134 8.846 ( -12.350 0.000 -11.919) 17.163 9.388 ( -17.098 0.000 2.177) 17.236 9.478 ( 3.779 0.000 -20.944) 21.282 9.635 ( 4.605 0.000 4.663) 6.554 9.676 ( 1.831 0.000 0.146) 1.837 9.694 ( 13.197 0.000 -10.137) 16.641 10.083 ( 8.238 0.000 2.346) 8.565 10.816 ( -3.288 0.000 15.428) 15.775 10.852 ( -2.090 0.000 19.092) 19.206 11.046 ( -21.108 0.000 6.809) 22.179 11.732 ( -23.936 0.000 -28.703) 37.373 11.804 ( 7.489 0.000 4.392) 8.682 11.944 ( 13.315 0.000 -12.531) 18.284 12.342 ( -1.511 0.000 -29.022) 29.061 12.748 ( -6.020 0.000 -9.400) 11.162 13.269 ( 18.136 0.000 -14.172) 23.017 13.614 ( 19.882 0.000 -17.071) 26.205 14.050 ( -9.069 0.000 2.788) 9.488 14.209 ( -0.029 0.000 6.648) 6.648 14.436 ( -2.674 0.000 20.824) 20.995 14.629 ( -3.969 0.000 -1.354) 4.194 15.009 ( -4.292 0.000 9.517) 10.440 15.118 ( 0.968 0.000 -5.661) 5.743 15.177 ( 2.030 0.000 5.511) 5.873 15.343 ( 1.421 0.000 -0.520) 1.513 15.357 ( 6.711 0.000 2.099) 7.032 15.452 ( -4.820 0.000 0.918) 4.907 15.721 ( 16.564 0.000 0.935) 16.590 15.984 ( -5.602 0.000 -12.616) 13.804 22.723 ( -1.583 0.000 -1.744) 2.355 22.745 ( -7.012 0.000 -2.271) 7.370 22.777 ( 2.434 0.000 18.536) 18.695 23.776 ( -5.230 0.000 -8.598) 10.064 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 0.179 0.000 17.619) 17.620 2.732 ( -3.801 0.000 19.315) 19.685 3.413 ( -3.619 0.000 -4.380) 5.682 3.460 ( 0.266 0.000 17.008) 17.010 3.750 ( -31.904 0.000 16.962) 36.133 3.795 ( -6.746 0.000 -11.679) 13.487 4.108 ( 6.500 0.000 -3.452) 7.360 4.187 ( -7.011 0.000 -13.024) 14.792 4.332 ( -9.959 0.000 -0.661) 9.981 4.585 ( -32.937 0.000 20.188) 38.632 4.846 ( -0.946 0.000 8.264) 8.318 4.910 ( 2.058 0.000 -10.380) 10.582 5.297 ( 14.150 0.000 21.250) 25.530 5.586 ( -8.277 0.000 0.669) 8.304 5.793 ( 4.404 0.000 9.802) 10.746 5.887 ( -2.576 0.000 30.109) 30.219 6.057 ( -15.850 0.000 -2.808) 16.096 6.318 ( 2.844 0.000 2.232) 3.616 6.476 ( 6.001 0.000 -3.285) 6.841 6.646 ( 5.636 0.000 9.762) 11.272 7.052 ( 18.569 0.000 15.093) 23.929 7.287 ( -11.902 0.000 14.988) 19.139 7.727 ( -0.136 0.000 -1.697) 1.702 7.811 ( -5.468 0.000 -12.045) 13.228 7.957 ( -14.280 0.000 7.506) 16.132 8.185 ( -12.886 0.000 -5.214) 13.901 8.265 ( 21.149 0.000 -11.709) 24.174 8.598 ( -9.785 0.000 -16.778) 19.423 8.866 ( -14.315 0.000 2.098) 14.468 9.506 ( -3.359 0.000 -23.848) 24.084 9.701 ( 4.650 0.000 8.089) 9.330 9.790 ( 6.780 0.000 5.073) 8.468 9.862 ( 4.410 0.000 -16.220) 16.809 10.142 ( 5.207 0.000 14.420) 15.332 10.405 ( -41.128 0.000 -27.606) 49.534 10.797 ( -2.667 0.000 10.609) 10.939 11.161 ( -22.645 0.000 -12.781) 26.003 11.305 ( 24.429 0.000 21.141) 32.307 11.791 ( -8.139 0.000 -10.346) 13.163 12.201 ( -10.705 0.000 -25.133) 27.318 12.208 ( 19.664 0.000 14.713) 24.559 12.867 ( 15.511 0.000 13.686) 20.686 13.729 ( 24.614 0.000 -10.086) 26.600 13.819 ( -12.048 0.000 -5.679) 13.319 14.011 ( 10.456 0.000 -8.862) 13.707 14.156 ( -1.255 0.000 -5.961) 6.092 14.369 ( -4.302 0.000 21.911) 22.329 14.605 ( 2.682 0.000 4.616) 5.339 15.009 ( 3.750 0.000 7.660) 8.529 15.126 ( 0.064 0.000 -5.493) 5.493 15.228 ( 2.830 0.000 5.694) 6.359 15.260 ( -9.958 0.000 -1.681) 10.099 15.371 ( 0.785 0.000 1.471) 1.668 15.459 ( 0.463 0.000 3.783) 3.811 15.845 ( -6.954 0.000 -11.254) 13.229 16.072 ( 15.151 0.000 1.761) 15.253 22.473 ( -14.732 0.000 -5.637) 15.774 22.693 ( -5.847 0.000 -7.699) 9.668 22.847 ( 4.339 0.000 13.530) 14.208 23.629 ( -8.728 0.000 -9.308) 12.760 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 0.879 0.000 -3.849) 3.948 2.673 ( 2.135 0.000 3.897) 4.444 3.262 ( -8.988 0.000 -8.865) 12.624 3.309 ( -5.219 0.000 -8.259) 9.770 3.610 ( 8.566 0.000 10.284) 13.384 3.688 ( -6.007 0.000 -19.859) 20.748 3.946 ( -15.135 0.000 -5.776) 16.199 4.045 ( -8.626 0.000 -3.118) 9.173 4.188 ( -5.960 0.000 -5.586) 8.168 4.209 ( -0.515 0.000 -7.020) 7.039 4.892 ( 7.324 0.000 -3.676) 8.195 4.956 ( -0.034 0.000 -17.568) 17.568 5.357 ( -15.512 0.000 -3.904) 15.996 5.595 ( 5.034 0.000 3.441) 6.098 5.724 ( -6.875 0.000 12.829) 14.555 5.777 ( -5.302 0.000 -8.025) 9.618 5.880 ( 0.982 0.000 5.365) 5.454 6.471 ( -8.779 0.000 -16.457) 18.652 6.544 ( 11.902 0.000 0.068) 11.902 6.845 ( 14.664 0.000 17.466) 22.806 6.982 ( -46.495 0.000 -55.247) 72.208 7.185 ( 1.976 0.000 9.292) 9.500 7.329 ( 2.934 0.000 -0.812) 3.044 7.734 ( 2.833 0.000 -1.381) 3.151 7.905 ( -11.512 0.000 -4.643) 12.413 8.001 ( 6.966 0.000 24.217) 25.199 8.421 ( -6.584 0.000 20.845) 21.861 8.665 ( 13.091 0.000 -2.821) 13.391 9.069 ( 21.174 0.000 -4.973) 21.750 9.158 ( -37.911 0.000 -41.921) 56.521 9.594 ( -20.049 0.000 -13.114) 23.957 9.773 ( 3.163 0.000 9.766) 10.266 9.882 ( -2.579 0.000 -13.072) 13.324 9.964 ( 8.208 0.000 -8.329) 11.693 10.363 ( 16.260 0.000 18.253) 24.445 10.777 ( -0.645 0.000 4.361) 4.409 10.898 ( -4.418 0.000 1.447) 4.649 11.457 ( -5.968 0.000 -4.130) 7.258 11.593 ( -9.399 0.000 -11.599) 14.929 11.930 ( -15.305 0.000 -18.886) 24.309 12.853 ( 36.919 0.000 34.923) 50.819 13.246 ( 19.860 0.000 19.562) 27.877 13.594 ( -8.630 0.000 -12.982) 15.588 13.878 ( -11.027 0.000 -13.765) 17.637 14.170 ( 6.601 0.000 6.551) 9.300 14.284 ( 6.628 0.000 4.548) 8.039 14.293 ( 2.985 0.000 0.520) 3.030 14.713 ( 7.109 0.000 6.616) 9.711 15.049 ( -10.008 0.000 -4.955) 11.167 15.095 ( 2.779 0.000 -3.544) 4.504 15.128 ( -0.362 0.000 -2.348) 2.376 15.285 ( 2.523 0.000 4.733) 5.363 15.359 ( -1.748 0.000 1.934) 2.607 15.458 ( -1.208 0.000 2.117) 2.437 15.746 ( 0.443 0.000 2.396) 2.436 16.276 ( 3.755 0.000 8.121) 8.947 22.201 ( -10.362 0.000 -11.092) 15.179 22.496 ( -12.522 0.000 -13.334) 18.292 22.951 ( 5.774 0.000 6.237) 8.500 23.437 ( -9.710 0.000 -9.274) 13.427 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 20.596 0.000 -24.011) 31.635 2.940 ( 21.658 0.000 -12.677) 25.095 3.165 ( -10.415 0.000 -13.719) 17.225 3.336 ( 12.672 0.000 -27.515) 30.293 3.401 ( -20.952 0.000 -14.448) 25.451 3.649 ( -15.368 0.000 -20.601) 25.701 3.677 ( 4.244 0.000 -7.742) 8.829 3.926 ( -17.078 0.000 -11.289) 20.472 4.275 ( 24.884 0.000 -13.014) 28.081 4.398 ( 18.616 0.000 -15.490) 24.217 4.802 ( -16.166 0.000 -19.493) 25.324 4.886 ( -30.432 0.000 -13.079) 33.123 5.159 ( 17.286 0.000 -18.423) 25.263 5.521 ( -2.291 0.000 -7.286) 7.638 5.551 ( -5.191 0.000 -5.557) 7.604 5.599 ( -25.532 0.000 -26.821) 37.030 6.061 ( 21.479 0.000 -11.582) 24.402 6.286 ( 2.101 0.000 -14.614) 14.764 6.456 ( -12.591 0.000 -14.758) 19.399 6.525 ( -17.334 0.000 -16.075) 23.641 7.137 ( 9.451 0.000 9.015) 13.061 7.241 ( -0.096 0.000 4.305) 4.307 7.359 ( 11.936 0.000 -8.639) 14.734 7.704 ( -12.972 0.000 -3.221) 13.366 7.876 ( 9.078 0.000 3.916) 9.886 8.159 ( 7.882 0.000 27.560) 28.665 8.194 ( -29.207 0.000 -15.428) 33.031 8.302 ( -6.016 0.000 29.108) 29.723 9.070 ( 12.335 0.000 -0.333) 12.340 9.320 ( -12.188 0.000 2.386) 12.420 9.480 ( 17.304 0.000 -8.584) 19.316 9.756 ( -9.817 0.000 -10.364) 14.276 9.893 ( 8.441 0.000 -3.099) 8.992 10.036 ( -2.844 0.000 -11.707) 12.047 10.772 ( 22.215 0.000 11.284) 24.917 10.789 ( 4.037 0.000 3.835) 5.568 10.879 ( -1.918 0.000 0.526) 1.989 11.198 ( -18.015 0.000 1.637) 18.089 11.477 ( 0.044 0.000 -9.634) 9.634 11.624 ( -12.987 0.000 -13.089) 18.438 13.390 ( 9.462 0.000 -2.066) 9.685 13.500 ( -3.228 0.000 -15.464) 15.798 13.640 ( 18.251 0.000 20.884) 27.735 13.825 ( 14.086 0.000 7.633) 16.021 13.977 ( -14.389 0.000 21.690) 26.029 14.182 ( -13.506 0.000 11.141) 17.508 14.622 ( 14.780 0.000 -12.198) 19.164 14.855 ( -9.364 0.000 -9.646) 13.443 14.883 ( 9.217 0.000 5.668) 10.820 15.060 ( -6.904 0.000 3.619) 7.795 15.158 ( 5.387 0.000 -7.897) 9.559 15.324 ( 1.150 0.000 2.599) 2.842 15.328 ( -9.694 0.000 -8.978) 13.213 15.334 ( -0.329 0.000 0.685) 0.760 15.939 ( 14.844 0.000 19.249) 24.307 16.211 ( -9.618 0.000 16.046) 18.708 22.102 ( 1.233 0.000 -16.251) 16.298 22.238 ( -11.118 0.000 -16.993) 20.307 23.083 ( 7.210 0.000 -1.340) 7.334 23.246 ( -8.777 0.000 -6.882) 11.153 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( 0.000 -2.905 25.583) 25.748 2.849 ( 0.000 10.938 30.506) 32.407 3.498 ( 0.000 4.192 -11.644) 12.375 3.598 ( 0.000 -14.604 16.589) 22.102 3.754 ( 0.000 -5.465 3.623) 6.557 4.002 ( 0.000 13.466 -8.066) 15.697 4.081 ( 0.000 -4.512 -0.104) 4.513 4.466 ( 0.000 2.622 -2.633) 3.716 4.526 ( 0.000 -24.573 -5.644) 25.212 4.886 ( 0.000 13.638 13.617) 19.272 5.154 ( 0.000 27.432 5.884) 28.056 5.257 ( 0.000 -1.282 5.052) 5.213 5.447 ( 0.000 13.023 11.022) 17.061 6.021 ( 0.000 30.503 17.222) 35.029 6.149 ( 0.000 8.120 13.472) 15.730 6.214 ( 0.000 2.250 4.016) 4.603 6.259 ( 0.000 2.309 35.890) 35.965 6.411 ( 0.000 7.207 4.769) 8.642 6.429 ( 0.000 8.075 21.493) 22.960 6.575 ( 0.000 12.294 13.430) 18.207 6.860 ( 0.000 22.265 6.901) 23.310 7.485 ( 0.000 -7.749 16.657) 18.371 7.704 ( 0.000 3.214 -16.894) 17.197 7.756 ( 0.000 0.693 11.228) 11.249 8.141 ( 0.000 -13.645 -4.289) 14.304 8.266 ( 0.000 4.164 18.484) 18.947 8.290 ( 0.000 -0.970 57.662) 57.670 9.023 ( 0.000 0.850 5.103) 5.173 9.271 ( 0.000 -7.784 -0.790) 7.824 9.538 ( 0.000 7.953 -1.166) 8.038 9.540 ( 0.000 -0.301 -3.509) 3.522 9.625 ( 0.000 8.541 -3.581) 9.262 9.673 ( 0.000 0.777 13.142) 13.165 10.071 ( 0.000 12.842 3.834) 13.402 10.833 ( 0.000 -1.339 15.496) 15.553 11.185 ( 0.000 -3.991 -26.433) 26.733 11.336 ( 0.000 -7.882 16.757) 18.518 11.503 ( 0.000 -2.926 6.216) 6.871 11.618 ( 0.000 -1.262 -10.940) 11.013 11.973 ( 0.000 -7.550 -17.857) 19.388 12.284 ( 0.000 -0.878 -30.880) 30.893 12.828 ( 0.000 -4.859 -15.909) 16.635 12.962 ( 0.000 -11.518 -30.509) 32.611 13.269 ( 0.000 -13.261 -18.386) 22.670 14.230 ( 0.000 6.792 12.438) 14.171 14.262 ( 0.000 7.478 2.264) 7.813 14.515 ( 0.000 4.176 16.449) 16.971 14.730 ( 0.000 4.456 -1.584) 4.729 14.980 ( 0.000 -10.307 10.808) 14.935 15.117 ( 0.000 -0.056 -2.403) 2.403 15.121 ( 0.000 -2.919 0.894) 3.053 15.207 ( 0.000 2.717 2.403) 3.627 15.401 ( 0.000 2.615 -2.275) 3.467 15.467 ( 0.000 -4.665 2.148) 5.136 15.527 ( 0.000 1.337 1.655) 2.128 15.942 ( 0.000 -10.373 -10.917) 15.059 22.674 ( 0.000 -2.308 2.818) 3.642 22.740 ( 0.000 -1.177 18.930) 18.967 22.874 ( 0.000 2.994 -2.450) 3.869 23.767 ( 0.000 -6.663 -7.894) 10.330 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 2.291 -4.802 23.368) 23.966 2.870 ( 0.801 10.301 26.200) 28.163 3.432 ( -6.282 0.633 -7.758) 10.003 3.463 ( -10.003 -12.008 11.664) 19.501 3.844 ( 3.810 -3.752 7.656) 9.339 3.951 ( -3.264 2.794 -14.505) 15.128 4.095 ( -2.761 -5.537 3.226) 6.978 4.482 ( 0.351 -3.085 -4.482) 5.452 4.543 ( 2.339 -4.610 -4.757) 7.025 4.737 ( -8.474 7.998 13.132) 17.556 5.157 ( -2.424 24.119 4.043) 24.576 5.307 ( 0.774 -3.547 4.815) 6.030 5.440 ( -1.342 24.984 14.730) 29.034 5.809 ( -20.218 6.744 21.866) 30.534 5.942 ( -12.741 20.994 37.497) 44.823 6.174 ( -0.807 16.304 8.590) 18.446 6.294 ( -4.619 -1.759 2.089) 5.366 6.362 ( 4.219 6.516 13.153) 15.272 6.502 ( 0.507 13.462 14.658) 19.909 6.679 ( 3.949 14.024 13.204) 19.662 6.745 ( 0.806 6.457 8.167) 10.442 7.589 ( 6.512 -4.952 10.743) 13.503 7.694 ( -5.890 -5.149 8.973) 11.905 7.806 ( -9.513 5.641 4.927) 12.108 7.906 ( 9.145 3.310 2.752) 10.107 8.153 ( -3.724 5.511 14.030) 15.527 8.321 ( -2.372 -3.320 14.321) 14.891 8.982 ( -10.865 12.185 -13.514) 21.193 9.320 ( -2.178 -8.034 -4.379) 9.406 9.455 ( -3.157 -7.581 -7.978) 11.450 9.583 ( -6.539 10.136 -1.225) 12.124 9.634 ( 6.922 -2.025 5.904) 9.320 9.884 ( 14.414 6.618 2.660) 16.082 10.118 ( -1.375 5.097 -9.400) 10.781 10.789 ( -6.991 -3.957 16.504) 18.356 10.801 ( -1.908 -2.894 15.669) 16.048 11.084 ( -12.931 3.061 7.628) 15.322 11.694 ( -20.793 -3.939 -27.358) 34.588 11.745 ( 5.503 -6.279 3.567) 9.079 11.930 ( 13.445 -1.662 -12.767) 18.615 12.318 ( -1.303 -2.360 -28.078) 28.207 12.661 ( -8.691 -8.868 -12.261) 17.450 13.101 ( 13.949 -15.396 -15.318) 25.812 13.481 ( 17.384 -15.983 -12.424) 26.684 14.132 ( -8.350 8.147 2.609) 11.954 14.272 ( -0.547 6.196 5.531) 8.324 14.524 ( 1.130 8.524 14.464) 16.827 14.684 ( -2.825 5.203 -0.251) 5.926 14.911 ( -2.915 -7.562 10.706) 13.427 15.132 ( 1.507 0.629 -3.869) 4.200 15.169 ( 0.936 -2.351 3.955) 4.695 15.268 ( 3.378 -0.700 0.073) 3.450 15.407 ( 1.317 -1.084 -0.014) 1.705 15.489 ( -2.550 3.745 0.858) 4.611 15.670 ( 15.561 -5.698 0.868) 16.595 15.890 ( -4.263 -8.969 -10.884) 14.733 22.692 ( 0.697 -2.967 0.408) 3.075 22.762 ( -0.720 -0.298 11.907) 11.932 22.773 ( -6.682 2.004 1.347) 7.104 23.710 ( -5.416 -6.878 -8.273) 12.045 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -2.402 -8.678 15.818) 18.201 2.817 ( -8.330 6.180 24.444) 26.554 3.211 ( -12.545 -9.852 -12.166) 20.061 3.323 ( -0.908 -7.122 7.660) 10.499 3.787 ( -14.176 -2.181 11.418) 18.333 3.819 ( -6.674 -1.247 -10.265) 12.308 4.029 ( -0.184 1.159 -3.545) 3.734 4.358 ( -9.678 1.464 3.206) 10.300 4.489 ( -19.802 -0.563 7.396) 21.146 4.679 ( 7.638 12.574 -7.553) 16.538 5.059 ( -6.468 10.486 -4.776) 13.214 5.119 ( -13.776 26.590 10.102) 31.605 5.291 ( -3.308 -6.672 1.674) 7.633 5.745 ( 8.852 13.320 11.606) 19.760 5.905 ( -0.336 15.729 33.591) 37.092 6.041 ( -12.889 16.016 7.218) 21.788 6.109 ( -5.765 10.475 1.702) 12.077 6.421 ( 7.217 12.381 2.567) 14.559 6.554 ( 3.548 7.614 -0.407) 8.411 6.648 ( 3.623 1.314 13.691) 14.223 7.078 ( 17.612 3.303 13.058) 22.172 7.434 ( -9.439 17.883 9.465) 22.327 7.684 ( 1.949 -3.731 -1.621) 4.510 7.828 ( 5.667 -1.795 15.159) 16.283 8.021 ( -22.013 9.360 -20.411) 31.445 8.155 ( -6.247 -1.988 -3.526) 7.444 8.295 ( 15.390 4.625 -2.080) 16.204 8.698 ( -9.617 8.645 -20.253) 24.029 8.922 ( -18.338 4.578 -4.700) 19.477 9.440 ( -1.000 -5.120 -10.260) 11.510 9.593 ( 5.946 -6.368 -2.089) 8.960 9.786 ( 7.358 -0.980 6.865) 10.111 10.006 ( -3.618 6.062 -6.962) 9.915 10.043 ( -1.115 -3.231 8.000) 8.699 10.518 ( -25.463 8.497 -18.411) 32.551 10.800 ( -5.076 0.405 5.964) 7.842 11.146 ( -16.994 -0.391 -9.905) 19.673 11.310 ( 21.968 0.376 18.772) 28.899 11.704 ( -9.665 -8.759 -11.272) 17.239 12.144 ( 5.209 -5.130 -1.902) 7.555 12.199 ( -0.754 -1.502 -13.218) 13.325 12.757 ( 15.953 -11.877 14.420) 24.567 13.453 ( 17.443 -22.581 -8.982) 29.914 13.817 ( 13.234 -23.409 -0.069) 26.891 13.922 ( -11.196 9.870 -4.517) 15.594 14.194 ( -7.641 5.813 -6.623) 11.664 14.559 ( 3.011 13.446 10.265) 17.182 14.697 ( 3.893 9.652 4.159) 11.208 14.916 ( 2.839 -6.906 7.792) 10.792 15.140 ( -4.654 -6.146 0.624) 7.735 15.157 ( 0.882 1.953 -3.964) 4.506 15.273 ( -1.094 1.248 1.170) 2.031 15.423 ( 0.558 -1.133 2.917) 3.179 15.459 ( -0.726 2.965 2.213) 3.771 15.767 ( -4.746 -7.610 -8.348) 12.253 16.025 ( 14.537 -4.818 1.495) 15.387 22.510 ( -14.382 3.945 -5.952) 16.057 22.658 ( -5.277 -3.172 -6.107) 8.672 22.823 ( 3.497 -2.608 11.997) 12.765 23.559 ( -8.971 -7.371 -9.120) 14.765 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -3.610 -10.900 3.041) 11.878 2.624 ( -4.770 -3.896 -1.011) 6.241 3.040 ( -1.409 -10.005 -14.280) 17.494 3.466 ( -4.709 13.621 -15.016) 20.814 3.490 ( 9.141 -8.664 0.746) 12.617 3.706 ( -5.849 -3.289 -14.077) 15.595 3.960 ( -8.202 11.952 -4.831) 15.279 4.148 ( -7.066 0.464 -4.623) 8.457 4.232 ( -0.315 -0.005 1.236) 1.275 4.797 ( -8.593 30.969 -8.998) 33.374 4.883 ( -0.316 2.548 -5.302) 5.891 5.018 ( -0.875 0.345 -13.767) 13.799 5.171 ( -8.287 -4.133 -3.639) 9.950 5.547 ( -18.865 -5.195 0.493) 19.573 5.711 ( -13.660 2.964 -6.090) 15.247 6.033 ( 3.568 17.745 7.717) 19.677 6.309 ( 13.013 34.722 5.587) 37.499 6.536 ( -6.035 6.560 -11.746) 14.745 6.598 ( 2.771 9.506 0.073) 9.901 6.821 ( 12.602 4.379 8.161) 15.639 7.142 ( -23.961 13.078 -29.702) 40.341 7.341 ( 3.963 0.899 1.208) 4.239 7.401 ( -9.058 22.063 -3.108) 24.051 7.709 ( 1.070 -3.208 -2.202) 4.036 7.938 ( -6.346 9.262 1.664) 11.350 7.992 ( 6.357 -2.381 20.332) 21.435 8.460 ( -9.663 3.521 4.101) 11.072 8.676 ( 13.660 1.706 3.534) 14.213 9.047 ( 13.852 -1.353 -10.123) 17.210 9.298 ( -28.619 14.440 -26.958) 41.885 9.477 ( -11.513 -8.403 -10.016) 17.421 9.731 ( 2.181 -2.401 3.644) 4.879 9.952 ( 6.074 -1.063 -5.220) 8.079 10.019 ( -4.223 6.159 -7.042) 10.264 10.295 ( 7.397 -4.839 9.146) 12.720 10.801 ( 5.148 3.098 6.669) 8.976 10.963 ( -3.436 6.568 0.562) 7.434 11.465 ( -7.598 -5.151 -4.925) 10.418 11.496 ( -7.653 -3.562 -10.765) 13.680 11.893 ( -16.574 -2.976 -18.073) 24.701 12.694 ( 30.952 -15.168 28.774) 44.900 13.171 ( 22.831 -10.431 22.411) 33.650 13.655 ( -1.847 -13.257 -3.571) 13.853 13.737 ( -3.727 -1.238 -4.042) 5.636 13.981 ( -7.081 -4.878 -5.576) 10.248 14.055 ( 6.247 -16.547 -6.524) 18.851 14.643 ( 3.804 15.992 6.108) 17.536 14.775 ( 2.926 6.884 4.921) 8.954 14.946 ( -2.492 -7.163 -2.217) 7.902 15.031 ( -2.418 -2.740 -5.962) 6.993 15.167 ( -0.476 2.875 -1.782) 3.416 15.260 ( -0.646 -1.392 1.206) 1.952 15.439 ( 0.176 4.034 2.798) 4.913 15.468 ( 1.825 1.005 4.696) 5.138 15.708 ( 1.441 -3.771 4.013) 5.692 16.223 ( 3.680 -5.497 7.939) 10.333 22.241 ( -10.346 4.416 -11.077) 15.787 22.481 ( -11.238 -1.233 -12.143) 16.591 22.908 ( 4.849 -4.465 5.190) 8.390 23.363 ( -9.781 -7.747 -9.379) 15.609 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 7.476 -17.322 -12.858) 22.831 2.554 ( -5.218 -20.994 -14.089) 25.817 3.242 ( 16.487 6.690 -14.085) 22.693 3.455 ( 3.392 0.378 -22.843) 23.096 3.541 ( 0.528 5.957 -19.703) 20.590 3.778 ( 3.892 11.586 -22.558) 25.657 3.911 ( 0.270 11.151 -12.029) 16.405 4.075 ( -6.456 3.683 -19.020) 20.421 4.347 ( 10.809 5.007 -2.338) 12.139 4.499 ( 1.628 10.141 -22.800) 25.006 4.802 ( -17.247 -2.437 -23.187) 29.001 4.855 ( -22.149 4.251 -9.474) 24.463 5.107 ( 8.476 -2.807 -22.439) 24.151 5.258 ( -6.281 -16.003 -18.064) 24.937 5.544 ( -0.548 -0.114 -8.619) 8.637 5.806 ( -26.148 6.845 -21.583) 34.589 6.244 ( 2.316 15.137 -11.429) 19.108 6.377 ( -8.525 8.003 -8.775) 14.620 6.743 ( 12.363 41.132 -2.727) 43.036 6.936 ( -2.697 29.122 -7.620) 30.223 7.186 ( 10.175 4.728 8.654) 14.170 7.330 ( -3.676 11.188 3.278) 12.225 7.411 ( 10.237 4.284 -4.530) 11.986 7.666 ( -8.157 -4.419 1.495) 9.397 7.916 ( 7.508 9.954 2.216) 12.663 8.154 ( 3.885 0.376 17.625) 18.052 8.306 ( -8.779 2.117 15.087) 17.584 8.332 ( -25.173 12.742 -12.003) 30.662 9.064 ( 10.810 1.577 2.405) 11.186 9.253 ( -5.979 -2.910 3.668) 7.594 9.553 ( 14.271 4.023 -7.745) 16.728 9.777 ( -3.081 -0.568 -3.717) 4.861 9.913 ( -0.947 2.571 -4.662) 5.407 9.991 ( -3.053 -5.308 -14.057) 15.332 10.586 ( 17.711 -8.280 5.665) 20.355 10.878 ( -7.421 0.725 -0.237) 7.460 11.001 ( 12.482 12.077 8.080) 19.155 11.270 ( -11.663 6.554 1.816) 13.501 11.355 ( -0.818 -11.521 -10.274) 15.459 11.538 ( -16.221 -6.945 -13.182) 22.025 13.225 ( 19.888 -20.216 17.883) 33.526 13.500 ( -4.668 -13.382 4.645) 14.914 13.583 ( 4.828 2.955 -2.079) 6.030 13.700 ( -3.626 -9.689 6.193) 12.057 13.879 ( 7.744 -1.086 0.857) 7.867 14.113 ( -5.723 -20.187 4.790) 21.522 14.691 ( 2.196 7.699 -1.746) 8.194 14.762 ( -4.221 -4.163 -3.692) 6.984 14.954 ( 5.594 3.629 -0.811) 6.717 15.039 ( 0.552 -3.147 -8.658) 9.229 15.131 ( -1.430 4.985 2.764) 5.877 15.202 ( -5.281 -1.401 -2.518) 6.016 15.443 ( 0.582 5.653 1.590) 5.901 15.463 ( -1.359 4.834 0.353) 5.033 15.898 ( 14.325 -4.233 18.834) 24.038 16.161 ( -9.280 -5.229 15.661) 18.940 22.136 ( 0.512 3.725 -15.733) 16.176 22.251 ( -9.814 1.545 -16.086) 18.907 23.023 ( 6.466 -6.286 -2.125) 9.265 23.174 ( -8.439 -7.475 -7.354) 13.460 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 0.000 12.323 19.033) 22.673 3.116 ( 0.000 15.937 23.655) 28.523 3.387 ( 0.000 -11.562 -27.723) 30.037 3.427 ( 0.000 -3.257 4.719) 5.733 3.739 ( 0.000 2.375 11.340) 11.586 3.896 ( 0.000 -13.244 6.566) 14.782 4.020 ( 0.000 -20.167 -0.534) 20.174 4.230 ( 0.000 1.129 -5.375) 5.492 4.607 ( 0.000 9.915 -2.854) 10.318 5.020 ( 0.000 -0.335 3.454) 3.471 5.139 ( 0.000 -6.420 4.224) 7.685 5.449 ( 0.000 0.771 -5.657) 5.709 5.740 ( 0.000 18.408 14.440) 23.396 6.224 ( 0.000 -1.105 5.877) 5.980 6.293 ( 0.000 2.399 0.463) 2.443 6.293 ( 0.000 3.584 17.662) 18.022 6.549 ( 0.000 12.640 39.653) 41.619 6.598 ( 0.000 17.188 23.064) 28.764 6.780 ( 0.000 31.336 24.638) 39.862 7.248 ( 0.000 38.840 9.855) 40.071 7.318 ( 0.000 20.121 -3.278) 20.387 7.367 ( 0.000 4.488 21.721) 22.180 7.720 ( 0.000 -0.140 13.605) 13.606 7.826 ( 0.000 -10.031 3.608) 10.660 7.867 ( 0.000 7.527 -4.423) 8.731 8.267 ( 0.000 0.036 41.231) 41.231 8.436 ( 0.000 15.698 19.974) 25.405 8.848 ( 0.000 -16.859 16.349) 23.485 9.242 ( 0.000 2.876 8.494) 8.968 9.512 ( 0.000 -3.226 -5.439) 6.324 9.651 ( 0.000 2.802 13.862) 14.142 9.814 ( 0.000 11.305 2.482) 11.574 9.868 ( 0.000 21.187 10.646) 23.711 10.356 ( 0.000 16.533 -15.368) 22.572 10.785 ( 0.000 -4.532 10.568) 11.499 11.082 ( 0.000 -7.564 -18.456) 19.946 11.115 ( 0.000 -15.535 15.900) 22.230 11.414 ( 0.000 -6.286 1.413) 6.443 11.577 ( 0.000 -3.133 -9.130) 9.653 11.739 ( 0.000 -18.404 -10.433) 21.155 12.275 ( 0.000 0.417 -30.021) 30.024 12.704 ( 0.000 -7.726 -22.945) 24.211 12.720 ( 0.000 -12.942 -31.857) 34.386 12.884 ( 0.000 -24.734 -20.329) 32.016 14.399 ( 0.000 10.463 8.656) 13.580 14.437 ( 0.000 10.351 1.858) 10.517 14.602 ( 0.000 4.519 12.535) 13.324 14.820 ( 0.000 3.561 0.985) 3.695 14.856 ( 0.000 -2.310 7.113) 7.478 15.056 ( 0.000 -3.276 -0.731) 3.357 15.112 ( 0.000 -0.266 0.404) 0.483 15.242 ( 0.000 -2.419 4.485) 5.096 15.356 ( 0.000 -4.139 -2.335) 4.752 15.396 ( 0.000 -2.129 -1.315) 2.503 15.554 ( 0.000 0.614 -0.545) 0.821 15.710 ( 0.000 -12.340 -5.065) 13.339 22.635 ( 0.000 -1.299 3.941) 4.149 22.709 ( 0.000 -2.043 15.224) 15.360 22.963 ( 0.000 6.694 -3.561) 7.582 23.592 ( 0.000 -11.527 -6.926) 13.448 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 1.015 12.710 18.720) 22.649 3.118 ( -2.126 14.558 21.966) 26.438 3.297 ( -8.273 -6.090 -6.511) 12.163 3.367 ( -4.869 -5.451 -12.034) 14.080 3.792 ( -2.088 -7.943 18.803) 20.518 3.871 ( 4.446 -4.496 -8.611) 10.683 4.011 ( -4.286 -7.741 -1.384) 8.956 4.232 ( 0.529 -3.948 -3.633) 5.391 4.659 ( 4.243 2.500 -1.486) 5.144 4.846 ( -12.339 1.095 3.947) 13.001 5.104 ( -3.348 -8.997 3.030) 10.066 5.432 ( -3.688 -0.507 -5.119) 6.330 5.819 ( 7.980 17.925 12.941) 23.504 5.999 ( -29.133 10.873 28.176) 41.963 6.195 ( -5.197 -0.374 9.599) 10.922 6.338 ( 4.434 4.372 7.463) 9.720 6.491 ( 0.322 14.929 26.521) 30.436 6.619 ( -6.098 15.139 12.532) 20.577 6.790 ( 10.201 11.134 19.469) 24.638 7.017 ( -19.548 12.344 26.175) 34.924 7.172 ( -5.773 43.078 5.403) 43.797 7.542 ( 5.031 1.331 12.118) 13.188 7.621 ( 4.879 -0.385 -2.559) 5.522 7.880 ( 1.382 -0.685 -4.942) 5.177 7.991 ( 9.778 8.041 7.157) 14.543 8.223 ( -2.356 5.150 15.629) 16.624 8.540 ( 9.261 29.638 24.957) 39.837 9.045 ( 8.766 -15.476 6.544) 18.952 9.224 ( -8.317 8.779 -9.939) 15.654 9.441 ( -8.414 1.358 -9.206) 12.545 9.594 ( -2.159 1.236 7.216) 7.633 9.834 ( -8.129 13.636 3.724) 16.306 9.938 ( 14.970 4.444 13.322) 20.526 10.249 ( -15.380 5.578 -15.713) 22.684 10.702 ( -2.575 -5.676 17.254) 18.346 10.750 ( -3.371 -1.433 7.278) 8.148 11.148 ( -0.393 3.225 4.552) 5.592 11.529 ( 1.282 -15.048 -2.362) 15.286 11.613 ( -8.764 -7.181 -13.117) 17.333 11.871 ( 13.513 -5.001 -13.187) 19.532 12.263 ( -1.668 -3.328 -24.276) 24.560 12.447 ( -16.014 -11.818 -23.440) 30.750 12.776 ( 6.254 -17.482 -17.903) 25.792 13.013 ( 9.157 -31.137 -11.083) 34.295 14.328 ( -6.590 11.927 2.125) 13.791 14.422 ( -1.795 9.278 3.082) 9.940 14.690 ( 6.768 6.045 9.597) 13.208 14.778 ( -2.895 3.145 3.544) 5.553 14.832 ( 0.718 1.759 4.957) 5.309 15.087 ( 0.008 -3.887 -0.835) 3.976 15.143 ( 2.392 -0.139 0.286) 2.413 15.302 ( 3.168 2.433 0.977) 4.112 15.346 ( -1.143 -5.737 -0.609) 5.882 15.505 ( 9.858 -10.089 -0.880) 14.134 15.535 ( -1.648 0.915 -0.165) 1.892 15.712 ( 2.109 -8.592 -3.817) 9.636 22.640 ( -0.068 -1.947 2.239) 2.968 22.724 ( 1.269 -2.713 13.016) 13.356 22.867 ( -9.057 7.220 -4.194) 12.318 23.528 ( -5.972 -11.957 -7.376) 15.266 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -3.980 13.378 14.903) 20.418 2.935 ( -14.441 5.396 22.210) 27.036 3.116 ( -10.379 -2.005 -14.753) 18.149 3.266 ( -1.229 0.263 -3.339) 3.568 3.739 ( -3.259 -3.405 3.726) 6.009 3.778 ( -11.352 -2.080 -6.428) 13.210 4.010 ( 4.782 -0.253 -5.912) 7.609 4.254 ( -0.650 -7.033 0.798) 7.108 4.512 ( -16.592 -4.071 -0.447) 17.090 4.796 ( 4.456 0.541 0.627) 4.533 4.998 ( -6.976 -8.479 -0.761) 11.006 5.249 ( -14.522 1.519 -0.245) 14.603 5.412 ( -20.546 5.391 6.863) 22.322 5.923 ( -22.384 -6.405 18.243) 29.578 6.087 ( 13.939 19.019 8.569) 25.089 6.379 ( 6.317 12.056 5.660) 14.741 6.542 ( 5.440 14.644 7.450) 17.308 6.653 ( 9.184 6.726 -0.022) 11.383 6.771 ( -0.539 10.920 29.455) 31.419 6.906 ( -12.295 37.190 0.346) 39.171 7.189 ( 11.749 8.791 9.684) 17.581 7.607 ( 3.856 -4.918 6.370) 8.924 7.747 ( 2.576 -1.655 9.032) 9.537 7.890 ( -1.275 12.879 -1.602) 13.041 8.135 ( -5.463 8.733 -8.818) 13.560 8.274 ( 6.823 8.363 -10.135) 14.806 8.639 ( 1.048 37.908 6.905) 38.546 8.866 ( -12.153 10.538 -22.576) 27.720 9.035 ( -18.613 11.489 -11.513) 24.718 9.289 ( 7.299 -11.605 10.890) 17.509 9.577 ( -6.097 4.981 -8.902) 11.884 9.748 ( 9.741 -1.204 11.402) 15.045 9.984 ( -4.964 0.702 13.062) 13.991 10.129 ( -4.414 2.736 -1.599) 5.434 10.692 ( -6.646 10.572 -4.292) 13.204 10.789 ( -5.447 -2.233 -0.069) 5.888 11.197 ( -8.104 4.414 -9.840) 13.490 11.315 ( 10.090 -0.380 7.902) 12.821 11.496 ( -6.556 -10.801 -7.754) 14.824 12.020 ( 2.752 -7.658 -4.641) 9.368 12.173 ( -6.253 -0.349 -19.278) 20.270 12.416 ( 12.882 -23.666 11.269) 29.206 12.987 ( 12.543 -26.363 -9.267) 30.630 13.175 ( 5.815 -42.251 -0.100) 42.650 14.158 ( -9.230 14.121 -4.035) 17.346 14.335 ( -6.958 8.773 -5.736) 12.581 14.743 ( 0.488 4.400 4.864) 6.577 14.783 ( 1.951 -4.449 7.426) 8.874 14.946 ( 5.110 10.264 -0.458) 11.475 15.051 ( 0.302 -0.171 1.116) 1.168 15.192 ( 2.220 1.566 -0.934) 2.872 15.273 ( -2.932 -2.264 -0.136) 3.707 15.380 ( 2.616 -1.205 3.184) 4.293 15.502 ( -1.133 1.044 1.412) 2.090 15.608 ( 1.037 -7.670 -1.150) 7.824 15.899 ( 12.601 -8.386 1.454) 15.206 22.603 ( -4.197 -1.991 -3.124) 5.599 22.625 ( -13.434 8.277 -7.000) 17.262 22.754 ( 1.536 -4.351 8.958) 10.076 23.364 ( -9.651 -12.900 -8.555) 18.241 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -4.001 13.203 3.774) 14.302 2.680 ( -11.064 10.855 -7.738) 17.323 2.979 ( 4.990 0.543 -17.816) 18.509 3.361 ( 8.814 -4.432 -5.546) 11.317 3.595 ( -4.489 -5.323 -10.618) 12.698 3.678 ( -1.083 4.709 -15.837) 16.557 4.114 ( -1.949 -2.582 -5.142) 6.075 4.148 ( -0.931 1.311 -2.939) 3.350 4.223 ( -9.247 2.526 0.497) 9.599 4.800 ( -7.884 -15.986 1.706) 17.906 4.928 ( 2.307 3.956 -9.462) 10.512 4.993 ( -11.581 1.089 -6.872) 13.511 5.072 ( -11.221 -9.359 -5.125) 15.484 5.504 ( -14.473 -7.951 -4.460) 17.105 6.104 ( -29.544 27.675 -19.702) 45.021 6.428 ( -6.746 21.180 7.609) 23.495 6.558 ( -3.616 7.780 -11.836) 14.618 6.694 ( 2.927 9.245 -4.741) 10.794 6.913 ( 14.658 9.196 9.788) 19.880 6.981 ( 17.133 10.291 6.846) 21.126 7.335 ( -3.151 -0.542 -2.903) 4.319 7.501 ( -15.600 12.940 -12.824) 23.984 7.661 ( -1.167 -0.694 -1.395) 1.946 7.819 ( -3.063 13.146 0.717) 13.517 7.954 ( 5.254 3.048 6.168) 8.657 8.486 ( 7.246 37.869 5.569) 38.956 8.614 ( -13.912 18.095 -7.500) 24.025 8.747 ( 10.731 12.981 3.188) 17.141 9.072 ( 14.569 8.967 -3.302) 17.423 9.371 ( -3.194 -1.282 0.787) 3.531 9.608 ( 4.469 2.153 -0.788) 5.022 9.759 ( -17.371 21.496 -10.420) 29.537 9.879 ( -5.391 -8.904 -3.479) 10.975 9.983 ( 3.874 -4.961 7.403) 9.717 10.343 ( -7.769 9.998 -13.220) 18.305 10.903 ( 10.353 6.511 8.017) 14.624 11.078 ( -5.021 -2.066 -11.372) 12.602 11.246 ( -7.719 -5.029 0.661) 9.236 11.558 ( -3.545 4.793 -6.144) 8.561 11.868 ( -14.475 1.818 -11.922) 18.841 12.349 ( 20.889 -19.832 18.297) 34.124 12.774 ( 19.546 -31.991 18.304) 41.720 13.160 ( 0.954 -30.416 6.534) 31.125 13.280 ( 6.317 -47.983 -1.789) 48.430 13.993 ( -5.952 15.437 -9.903) 19.282 14.165 ( -8.804 10.748 -12.962) 19.001 14.722 ( -3.074 -5.317 -1.261) 6.269 14.785 ( -2.863 -6.731 -1.856) 7.546 14.969 ( 2.947 7.489 0.355) 8.056 15.144 ( 3.075 13.420 1.497) 13.849 15.216 ( 0.710 2.184 0.114) 2.299 15.279 ( 3.107 3.657 4.197) 6.375 15.450 ( 4.344 -0.928 6.840) 8.156 15.491 ( -0.044 -0.107 2.565) 2.567 15.626 ( 2.166 -4.097 6.238) 7.771 16.077 ( 3.397 -9.824 7.539) 12.841 22.369 ( -10.251 9.204 -11.034) 17.650 22.470 ( -8.185 0.688 -9.318) 12.422 22.792 ( 2.362 -7.428 2.498) 8.185 23.158 ( -9.929 -13.534 -9.608) 19.341 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 2.706 13.101 -12.292) 18.167 2.477 ( -7.467 12.246 -15.840) 21.369 3.354 ( 21.980 1.076 -25.318) 33.545 3.455 ( 0.083 2.687 -8.698) 9.104 3.556 ( 5.506 -3.428 -13.217) 14.723 3.890 ( -0.771 -0.232 -12.010) 12.037 3.980 ( 6.945 -7.153 -18.754) 21.239 4.106 ( -0.162 1.883 -18.316) 18.413 4.358 ( 11.885 0.364 -4.634) 12.762 4.536 ( -5.149 -2.278 -5.024) 7.546 4.721 ( -14.360 -4.120 -18.472) 23.757 4.948 ( -6.523 -4.754 -8.333) 11.601 5.025 ( 2.698 -4.566 -21.532) 22.176 5.205 ( -22.671 11.176 -44.053) 50.789 5.496 ( -7.792 -4.356 -19.908) 21.817 5.813 ( -34.713 -3.961 -31.018) 46.720 6.618 ( 3.742 23.108 -4.319) 23.804 6.683 ( -2.623 19.757 -4.814) 20.503 7.216 ( 11.251 6.334 6.427) 14.423 7.282 ( 5.631 6.864 11.101) 14.215 7.363 ( 11.726 4.628 -1.187) 12.662 7.467 ( 1.886 1.916 5.894) 6.478 7.612 ( -2.578 3.827 3.049) 5.530 7.704 ( -8.179 15.709 -0.836) 17.731 8.130 ( 10.245 2.555 8.209) 13.374 8.369 ( -11.848 12.024 1.340) 16.933 8.588 ( 5.698 52.565 1.902) 52.907 8.784 ( -12.178 25.286 -4.390) 28.407 9.220 ( 6.197 19.159 -2.569) 20.299 9.314 ( 0.947 13.988 7.475) 15.888 9.604 ( 4.789 6.829 -6.909) 10.830 9.708 ( -2.473 -6.711 -0.840) 7.202 9.825 ( 2.394 -10.442 -15.711) 19.016 9.942 ( -7.360 -1.102 -2.686) 7.912 10.514 ( 19.456 0.897 0.728) 19.490 10.914 ( -15.418 1.267 -0.873) 15.495 11.077 ( 6.322 -12.476 -12.174) 18.543 11.194 ( 2.912 2.328 2.746) 4.630 11.398 ( -5.052 8.496 -1.177) 9.954 11.559 ( -14.227 13.041 0.295) 19.302 12.760 ( 17.134 -27.691 16.681) 36.587 13.018 ( -6.013 -31.724 12.740) 34.712 13.183 ( 10.955 -41.393 13.578) 44.920 13.341 ( -2.221 -44.928 2.755) 45.067 13.939 ( 0.695 13.759 -14.005) 19.645 14.009 ( -5.875 12.429 -15.441) 20.674 14.671 ( -0.712 -6.571 -6.413) 9.209 14.704 ( -3.603 -6.889 -6.223) 9.958 15.064 ( 5.042 9.081 0.209) 10.389 15.143 ( -2.349 11.021 -1.184) 11.331 15.249 ( 2.552 7.936 5.693) 10.095 15.302 ( -1.568 9.981 6.751) 12.152 15.491 ( 0.558 -0.513 2.474) 2.587 15.501 ( -0.161 -0.501 2.285) 2.345 15.786 ( 12.571 -7.462 17.562) 22.850 16.021 ( -8.381 -9.422 14.625) 19.311 22.247 ( -1.296 8.227 -14.357) 16.597 22.308 ( -6.539 4.864 -13.753) 15.987 22.859 ( 4.350 -10.703 -4.261) 12.313 22.978 ( -7.438 -12.951 -8.638) 17.253 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 0.000 18.447 -0.171) 18.448 3.123 ( 0.000 -14.863 -22.714) 27.145 3.408 ( 0.000 12.150 12.073) 17.128 3.452 ( 0.000 5.052 -1.564) 5.288 3.640 ( 0.000 -11.774 10.825) 15.994 3.670 ( 0.000 -14.812 7.184) 16.462 3.867 ( 0.000 11.684 8.165) 14.254 4.127 ( 0.000 -12.624 5.381) 13.723 4.795 ( 0.000 9.800 -1.188) 9.871 4.964 ( 0.000 -7.301 -0.076) 7.301 5.115 ( 0.000 7.252 -4.351) 8.457 5.317 ( 0.000 -11.424 -8.061) 13.982 6.024 ( 0.000 10.270 9.009) 13.661 6.156 ( 0.000 -4.995 6.293) 8.034 6.343 ( 0.000 2.126 4.264) 4.765 6.350 ( 0.000 1.694 6.551) 6.766 6.812 ( 0.000 16.180 39.916) 43.071 6.925 ( 0.000 14.673 15.269) 21.176 7.153 ( 0.000 -11.444 33.640) 35.533 7.161 ( 0.000 3.266 24.285) 24.503 7.518 ( 0.000 -2.291 -6.866) 7.238 7.530 ( 0.000 -3.338 -2.069) 3.928 7.662 ( 0.000 10.769 21.831) 24.342 7.911 ( 0.000 -6.948 44.669) 45.206 8.164 ( 0.000 15.909 14.494) 21.521 8.482 ( 0.000 -16.515 13.909) 21.592 8.680 ( 0.000 32.727 2.224) 32.803 8.806 ( 0.000 16.345 21.873) 27.305 9.292 ( 0.000 1.666 24.349) 24.406 9.401 ( 0.000 -8.429 -3.667) 9.192 9.837 ( 0.000 20.900 16.375) 26.551 10.046 ( 0.000 9.763 13.540) 16.693 10.327 ( 0.000 26.520 11.280) 28.820 10.632 ( 0.000 -10.180 2.503) 10.484 10.641 ( 0.000 6.833 -20.835) 21.927 10.803 ( 0.000 -8.679 5.862) 10.473 10.844 ( 0.000 -21.032 -6.136) 21.909 11.103 ( 0.000 -29.007 -8.134) 30.126 11.464 ( 0.000 -1.936 -0.766) 2.082 11.506 ( 0.000 -3.955 -5.060) 6.422 12.316 ( 0.000 4.427 -25.915) 26.291 12.467 ( 0.000 -12.606 -19.066) 22.856 12.570 ( 0.000 -6.168 -40.882) 41.345 12.571 ( 0.000 -5.077 -33.452) 33.835 14.592 ( 0.000 8.950 4.621) 10.072 14.628 ( 0.000 8.829 1.011) 8.887 14.685 ( 0.000 3.295 9.170) 9.744 14.797 ( 0.000 -5.961 3.080) 6.709 14.848 ( 0.000 1.834 2.679) 3.246 14.982 ( 0.000 -8.504 3.221) 9.094 15.123 ( 0.000 1.139 0.771) 1.375 15.128 ( 0.000 -1.590 -1.185) 1.983 15.354 ( 0.000 -1.357 -0.222) 1.375 15.358 ( 0.000 0.056 -3.397) 3.397 15.542 ( 0.000 -1.446 0.133) 1.452 15.545 ( 0.000 -3.905 2.315) 4.539 22.633 ( 0.000 1.054 6.236) 6.324 22.667 ( 0.000 -2.284 10.303) 10.554 23.128 ( 0.000 10.742 -4.571) 11.674 23.355 ( 0.000 -12.935 -5.702) 14.136 ======================= Grid point 217 (77/100) ======================= q-point: ( 0.11 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 2.469 19.017 1.464) 19.232 3.138 ( 0.348 -12.218 -23.464) 26.457 3.287 ( -10.057 4.014 15.072) 18.559 3.370 ( -10.363 0.278 11.831) 15.730 3.607 ( 3.352 -0.981 5.147) 6.220 3.761 ( 3.160 -12.009 1.601) 12.520 3.973 ( 8.031 9.670 3.360) 13.012 4.189 ( 3.844 -8.728 1.618) 9.673 4.647 ( -14.048 4.223 -0.640) 14.683 4.809 ( -12.352 -8.820 0.141) 15.178 5.085 ( -1.785 8.891 -5.341) 10.525 5.295 ( -2.328 -11.220 -7.551) 13.723 6.065 ( 0.695 7.319 8.566) 11.288 6.148 ( -5.398 -1.151 10.787) 12.117 6.233 ( -11.057 10.164 19.039) 24.250 6.365 ( 0.284 -2.197 13.363) 13.545 6.671 ( -8.839 6.322 21.316) 23.926 6.754 ( -19.355 -1.051 19.825) 27.726 7.019 ( 5.211 11.063 16.560) 20.586 7.112 ( -0.409 0.757 23.777) 23.792 7.473 ( 0.111 2.930 1.714) 3.396 7.580 ( 0.508 -6.892 6.718) 9.638 7.703 ( 2.730 8.481 11.834) 14.813 7.843 ( -0.180 -4.837 19.334) 19.930 8.301 ( 7.864 15.326 10.887) 20.378 8.537 ( -0.382 8.758 -2.419) 9.094 8.766 ( 10.148 7.776 8.638) 15.429 9.089 ( 7.981 0.239 7.271) 10.799 9.315 ( 1.158 13.325 1.219) 13.431 9.532 ( 17.221 2.055 20.860) 27.128 9.755 ( -12.493 19.835 7.927) 24.746 9.934 ( -6.123 5.251 2.593) 8.473 10.227 ( -13.954 1.268 2.871) 14.302 10.295 ( -12.197 12.066 -3.197) 17.452 10.561 ( -2.478 -3.265 13.558) 14.164 10.818 ( 4.701 9.067 1.154) 10.278 11.025 ( 4.774 -26.392 6.948) 27.705 11.121 ( 5.031 -22.096 -2.122) 22.760 11.550 ( 6.126 5.667 -4.928) 9.692 11.730 ( 11.917 -9.934 -10.831) 18.921 12.225 ( -12.706 3.465 -26.265) 29.382 12.352 ( -10.038 1.751 -31.121) 32.747 12.476 ( -1.503 -20.772 -16.694) 26.691 12.495 ( -5.109 -12.610 -25.882) 29.240 14.552 ( -4.473 10.986 1.365) 11.940 14.594 ( -3.147 7.923 0.098) 8.526 14.706 ( -0.146 -2.078 6.521) 6.845 14.762 ( -2.993 -6.406 3.137) 7.735 14.934 ( 9.361 7.530 2.731) 12.320 15.071 ( 3.412 -0.716 -1.245) 3.702 15.128 ( 2.728 -2.752 2.562) 4.646 15.164 ( 2.180 -6.254 -0.061) 6.623 15.358 ( 0.929 1.983 -1.994) 2.961 15.393 ( 4.524 -2.428 0.138) 5.136 15.537 ( -0.246 0.131 1.086) 1.121 15.580 ( 3.678 -5.043 1.742) 6.480 22.631 ( -0.477 0.987 4.727) 4.852 22.670 ( 0.076 -2.812 8.516) 8.968 23.043 ( -7.965 11.404 -5.082) 14.809 23.283 ( -6.862 -13.535 -6.204) 16.394 ======================= Grid point 218 (78/100) ======================= q-point: ( 0.22 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -4.565 19.767 8.699) 22.074 3.000 ( -13.313 1.260 10.615) 17.074 3.093 ( -6.304 -0.099 -5.022) 8.060 3.218 ( -0.467 -8.822 -2.914) 9.303 3.683 ( 1.423 0.636 -3.145) 3.510 3.746 ( -5.715 -3.542 -2.208) 7.077 4.064 ( -1.741 6.799 -4.438) 8.304 4.202 ( -2.075 -2.240 -2.084) 3.697 4.374 ( -8.409 -2.018 -6.580) 10.867 4.578 ( -7.751 -17.032 1.766) 18.796 5.054 ( -1.390 9.093 -7.148) 11.649 5.212 ( -6.352 -6.271 -6.602) 11.102 5.541 ( -32.186 9.643 18.464) 38.339 5.745 ( -31.095 -11.169 20.654) 38.965 6.374 ( 17.348 10.696 3.256) 20.639 6.489 ( 15.232 -1.030 1.578) 15.348 6.685 ( 6.542 4.989 7.646) 11.232 6.739 ( 8.973 0.333 7.537) 11.724 7.030 ( -2.438 17.345 21.407) 27.660 7.248 ( 3.893 -0.036 12.722) 13.305 7.425 ( -13.105 6.755 5.582) 15.765 7.483 ( -0.084 -5.306 6.675) 8.527 7.779 ( 0.095 5.471 4.589) 7.141 7.895 ( 5.056 -5.118 -2.023) 7.473 8.364 ( -9.892 7.003 -18.078) 21.765 8.387 ( -10.693 3.939 -24.116) 26.673 8.891 ( -2.512 3.944 -5.796) 7.447 9.040 ( 14.119 -11.326 11.056) 21.210 9.372 ( -9.268 24.292 -1.171) 26.027 9.610 ( -12.318 9.525 -4.102) 16.103 9.717 ( 11.357 20.245 15.043) 27.661 9.792 ( 2.394 6.922 5.434) 9.120 10.007 ( -7.222 10.488 5.213) 13.760 10.284 ( 1.464 14.649 8.134) 16.820 10.654 ( 10.068 -9.462 20.303) 24.558 10.935 ( 3.176 -1.943 5.189) 6.387 10.996 ( -4.286 -6.899 -2.837) 8.603 11.319 ( 12.567 -11.094 3.083) 17.045 11.500 ( -10.154 14.522 -14.168) 22.688 11.825 ( 0.869 -14.391 -7.010) 16.032 12.043 ( -0.721 -5.553 -7.773) 9.580 12.246 ( -4.988 8.409 -16.457) 19.142 12.330 ( -4.587 -35.981 -13.232) 38.611 12.553 ( 4.927 -22.417 -8.552) 24.493 14.421 ( -7.476 13.012 -3.715) 15.460 14.500 ( -5.850 7.420 -4.803) 10.600 14.674 ( -3.743 -6.646 2.392) 7.994 14.692 ( -3.106 -7.475 1.439) 8.221 15.078 ( 1.129 6.970 -1.000) 7.131 15.146 ( 8.456 3.606 3.510) 9.840 15.190 ( 1.735 -3.150 -0.147) 3.599 15.210 ( 3.693 -2.553 3.999) 6.012 15.412 ( 3.500 4.056 1.818) 5.658 15.486 ( 1.472 -3.617 1.179) 4.079 15.561 ( 3.680 4.812 3.265) 6.882 15.720 ( 9.287 -10.164 2.314) 13.961 22.599 ( -2.882 1.731 0.108) 3.364 22.660 ( -1.227 -4.295 3.287) 5.546 22.832 ( -11.665 12.671 -6.196) 18.304 23.097 ( -10.668 -14.821 -7.681) 19.810 ======================= Grid point 219 (79/100) ======================= q-point: ( 0.33 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -1.621 17.860 1.145) 17.970 2.882 ( 3.817 2.744 -7.719) 9.037 3.046 ( 0.376 9.685 -22.275) 24.292 3.283 ( 7.048 -9.359 -12.716) 17.291 3.518 ( -9.746 4.290 -3.484) 11.204 3.681 ( -2.919 -5.645 -11.089) 12.781 4.011 ( -4.571 -3.372 -3.891) 6.885 4.074 ( -5.160 -9.066 -2.861) 10.817 4.323 ( 0.400 8.579 -3.248) 9.182 4.523 ( 0.087 -12.499 -0.714) 12.519 4.976 ( -12.952 0.209 -5.017) 13.892 4.998 ( -14.541 -1.116 -4.752) 15.338 5.055 ( -6.555 9.775 -5.023) 12.797 5.288 ( -10.559 -13.439 -4.249) 17.611 6.459 ( -34.591 10.991 -21.163) 42.014 6.556 ( -30.398 -0.197 -10.931) 32.304 6.824 ( 13.032 6.440 4.741) 15.290 6.869 ( 12.523 4.992 -6.096) 14.795 7.014 ( 7.616 11.102 7.302) 15.316 7.130 ( 6.640 2.086 5.528) 8.889 7.345 ( -0.692 3.970 -2.501) 4.743 7.535 ( 4.009 -12.351 1.258) 13.046 7.652 ( -8.754 9.246 -5.757) 13.974 7.841 ( -9.674 -8.167 -9.924) 16.086 8.147 ( 3.797 15.879 -6.923) 17.734 8.462 ( 13.464 -15.389 -2.038) 20.549 9.045 ( 2.174 13.898 6.011) 15.297 9.121 ( -2.433 10.233 8.235) 13.359 9.429 ( 8.643 4.568 1.551) 9.898 9.445 ( 1.757 1.257 -9.870) 10.104 9.676 ( -7.028 3.000 -6.952) 10.331 9.859 ( 1.120 -9.551 5.797) 11.229 10.007 ( 3.881 43.782 7.058) 44.517 10.274 ( -0.435 19.102 5.923) 20.004 10.725 ( -8.281 25.599 -7.440) 27.915 10.783 ( -4.097 -12.017 -0.949) 12.732 11.060 ( 6.889 11.101 1.338) 13.133 11.388 ( -2.645 13.709 1.885) 14.088 11.590 ( 4.730 -8.401 -2.502) 9.960 11.816 ( -0.140 -19.056 2.750) 19.254 12.092 ( 7.394 -28.891 5.076) 30.251 12.132 ( -2.296 -7.659 -2.682) 8.433 12.319 ( 0.747 -26.457 -1.993) 26.543 12.634 ( 1.621 -27.489 0.136) 27.537 14.283 ( -5.235 14.490 -8.492) 17.592 14.375 ( -5.919 9.893 -9.950) 15.229 14.568 ( -5.356 -9.402 -4.806) 11.840 14.618 ( -4.664 -9.846 -4.686) 11.860 15.139 ( 5.042 9.090 2.322) 10.651 15.252 ( 4.257 -0.547 0.929) 4.391 15.287 ( 5.302 2.549 5.925) 8.350 15.330 ( 9.117 -1.107 11.027) 14.350 15.457 ( 0.362 0.790 2.580) 2.723 15.479 ( -0.929 -0.808 1.998) 2.347 15.633 ( 1.778 8.622 7.458) 11.538 15.862 ( 2.866 -12.727 7.264) 14.932 22.518 ( -4.647 4.682 -5.911) 8.858 22.577 ( -8.269 9.570 -10.923) 16.711 22.657 ( -2.778 -3.576 -1.136) 4.669 22.878 ( -10.057 -15.538 -9.701) 20.897 ======================= Grid point 220 (80/100) ======================= q-point: ( 0.44 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 4.493 25.066 -13.912) 29.018 2.882 ( -5.248 25.697 -16.532) 31.003 3.211 ( 9.218 -15.159 -21.301) 27.722 3.341 ( -3.612 -16.992 -15.441) 23.243 3.600 ( 16.118 6.928 -12.176) 21.356 3.763 ( 15.186 -11.064 -16.684) 25.127 3.891 ( -6.569 1.168 -4.683) 8.151 3.998 ( -5.870 -8.615 -6.855) 12.476 4.440 ( 12.610 5.720 -7.579) 15.785 4.503 ( 2.112 -1.597 1.683) 3.137 4.710 ( -11.206 2.418 -12.897) 17.256 4.807 ( -7.005 -7.489 -8.923) 13.593 5.057 ( 4.836 6.838 -25.452) 26.795 5.228 ( 5.214 -8.718 -23.803) 25.880 5.533 ( -42.576 8.704 -48.047) 64.785 5.698 ( -40.149 -7.871 -40.887) 57.841 6.997 ( 4.842 14.558 3.438) 15.723 7.038 ( 1.803 16.591 -0.835) 16.710 7.208 ( 7.907 -5.192 6.574) 11.520 7.289 ( 2.391 -7.197 5.274) 9.238 7.417 ( 6.333 7.167 3.302) 10.118 7.528 ( -4.520 7.811 5.290) 10.460 7.599 ( 4.239 -8.751 1.372) 9.820 7.704 ( -4.839 -8.871 2.062) 10.313 8.368 ( 16.023 21.705 -4.840) 27.409 8.736 ( -7.085 11.376 -5.795) 14.601 8.799 ( 2.586 -6.144 -0.855) 6.721 9.061 ( -10.079 -4.245 6.020) 12.484 9.513 ( 7.206 6.920 -7.586) 12.544 9.590 ( 0.567 0.070 -12.995) 13.007 9.669 ( 4.759 -3.938 -2.758) 6.765 9.792 ( -6.966 -6.305 -1.642) 9.538 10.147 ( 10.197 49.517 5.377) 50.841 10.306 ( -0.997 39.700 10.964) 41.199 10.621 ( 4.740 13.355 -4.971) 15.018 10.777 ( -1.816 -8.483 3.211) 9.251 11.087 ( -1.984 14.014 -7.911) 16.215 11.221 ( -12.507 11.216 -8.506) 18.830 11.626 ( 5.663 0.767 6.736) 8.834 11.763 ( -6.003 -12.951 3.645) 14.733 12.196 ( 5.652 -26.844 5.933) 28.067 12.283 ( -0.654 -27.704 3.254) 27.902 12.368 ( 11.981 -30.675 10.993) 34.718 12.584 ( -6.841 -30.665 6.486) 32.081 14.228 ( -0.070 15.194 -11.901) 19.300 14.272 ( -3.967 14.012 -12.540) 19.218 14.494 ( -1.167 -11.748 -9.567) 15.196 14.524 ( -3.693 -11.514 -9.543) 15.404 15.254 ( 5.271 9.580 2.266) 11.166 15.314 ( 0.503 6.186 0.462) 6.223 15.420 ( 7.197 8.144 11.221) 15.622 15.430 ( -0.346 -3.377 3.417) 4.817 15.451 ( -0.820 -3.022 2.131) 3.788 15.533 ( 2.230 8.500 11.637) 14.582 15.639 ( 4.255 -4.808 14.578) 15.930 15.814 ( -7.175 -12.375 13.220) 19.478 22.438 ( -2.364 9.833 -10.975) 14.924 22.447 ( -3.481 11.794 -12.315) 17.403 22.642 ( 1.045 -11.600 -7.184) 13.684 22.711 ( -5.887 -14.718 -10.390) 18.954 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 0.000 0.000 17.957) 17.957 3.231 ( 0.000 0.000 -11.555) 11.555 3.318 ( 0.000 0.000 21.425) 21.425 3.643 ( 0.000 0.000 -11.627) 11.627 3.985 ( 0.000 0.000 6.692) 6.692 4.008 ( 0.000 0.000 6.357) 6.357 4.057 ( 0.000 0.000 1.845) 1.845 4.348 ( 0.000 0.000 -22.811) 22.811 4.589 ( 0.000 0.000 6.705) 6.705 4.743 ( 0.000 0.000 -7.150) 7.150 5.023 ( 0.000 0.000 9.262) 9.262 5.155 ( 0.000 0.000 -1.836) 1.836 5.739 ( 0.000 0.000 19.057) 19.057 5.891 ( 0.000 0.000 11.292) 11.292 6.062 ( 0.000 0.000 -11.109) 11.109 6.127 ( 0.000 0.000 -8.564) 8.564 6.360 ( 0.000 0.000 3.298) 3.298 6.444 ( 0.000 0.000 -5.407) 5.407 6.887 ( 0.000 0.000 18.512) 18.512 7.233 ( 0.000 0.000 38.937) 38.937 7.266 ( 0.000 0.000 -15.129) 15.129 7.430 ( 0.000 0.000 49.690) 49.690 7.789 ( 0.000 0.000 -10.759) 10.759 7.822 ( 0.000 0.000 6.995) 6.995 8.129 ( 0.000 0.000 -6.601) 6.601 8.594 ( 0.000 0.000 -39.975) 39.975 8.664 ( 0.000 0.000 18.305) 18.305 8.819 ( 0.000 0.000 -3.995) 3.995 9.388 ( 0.000 0.000 2.436) 2.436 9.589 ( 0.000 0.000 1.828) 1.828 9.622 ( 0.000 0.000 -0.832) 0.832 9.671 ( 0.000 0.000 -4.484) 4.484 9.882 ( 0.000 0.000 65.344) 65.344 10.065 ( 0.000 0.000 6.201) 6.201 10.572 ( 0.000 0.000 -30.815) 30.815 11.156 ( 0.000 0.000 -46.514) 46.514 11.236 ( 0.000 0.000 15.715) 15.715 11.668 ( 0.000 0.000 -10.116) 10.116 11.750 ( 0.000 0.000 -4.196) 4.196 11.804 ( 0.000 0.000 1.755) 1.755 12.023 ( 0.000 0.000 39.526) 39.526 12.645 ( 0.000 0.000 -7.416) 7.416 12.652 ( 0.000 0.000 -9.914) 9.914 12.829 ( 0.000 0.000 -34.004) 34.004 14.270 ( 0.000 0.000 4.935) 4.935 14.338 ( 0.000 0.000 0.839) 0.839 14.718 ( 0.000 0.000 7.526) 7.526 14.852 ( 0.000 0.000 15.680) 15.680 14.929 ( 0.000 0.000 -10.485) 10.485 15.092 ( 0.000 0.000 -7.290) 7.290 15.244 ( 0.000 0.000 3.469) 3.469 15.297 ( 0.000 0.000 -1.681) 1.681 15.377 ( 0.000 0.000 8.728) 8.728 15.501 ( 0.000 0.000 -3.315) 3.315 15.593 ( 0.000 0.000 6.131) 6.131 15.786 ( 0.000 0.000 -11.799) 11.799 22.751 ( 0.000 0.000 2.506) 2.506 22.801 ( 0.000 0.000 -2.329) 2.329 23.190 ( 0.000 0.000 20.836) 20.836 23.580 ( 0.000 0.000 -15.813) 15.813 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.964 ( 3.404 0.000 17.388) 17.718 3.261 ( 2.258 0.000 -10.850) 11.082 3.281 ( -4.520 0.000 20.918) 21.401 3.621 ( -2.962 0.000 -12.817) 13.155 3.916 ( -6.721 0.000 8.591) 10.908 4.011 ( -2.640 0.000 -0.618) 2.712 4.018 ( 0.161 0.000 3.088) 3.092 4.263 ( -8.060 0.000 -17.374) 19.153 4.532 ( -5.394 0.000 6.615) 8.536 4.703 ( -3.561 0.000 -8.531) 9.244 5.034 ( -0.117 0.000 8.880) 8.880 5.173 ( -0.325 0.000 -3.226) 3.243 5.658 ( -3.386 0.000 17.822) 18.141 5.924 ( 3.070 0.000 12.477) 12.849 5.963 ( -4.336 0.000 -11.004) 11.827 6.164 ( 2.031 0.000 -7.672) 7.936 6.422 ( 0.428 0.000 4.415) 4.435 6.510 ( 1.177 0.000 -4.026) 4.195 6.879 ( -34.343 0.000 44.972) 56.585 7.031 ( 14.318 0.000 22.439) 26.618 7.359 ( -6.191 0.000 41.934) 42.389 7.451 ( 16.494 0.000 -13.197) 21.124 7.662 ( -16.387 0.000 -24.059) 29.110 7.826 ( 0.268 0.000 5.149) 5.156 7.985 ( -13.589 0.000 -0.406) 13.595 8.406 ( -13.674 0.000 13.421) 19.160 8.522 ( -9.790 0.000 -28.482) 30.118 8.636 ( -19.869 0.000 -7.655) 21.293 9.241 ( -20.007 0.000 -5.704) 20.804 9.313 ( -24.010 0.000 28.973) 37.629 9.381 ( 2.560 0.000 -15.012) 15.229 9.645 ( 0.870 0.000 -4.085) 4.176 9.838 ( 1.587 0.000 18.117) 18.186 10.358 ( 18.835 0.000 26.188) 32.258 10.627 ( -41.728 0.000 -43.674) 60.404 10.918 ( 18.594 0.000 -21.827) 28.673 11.201 ( -3.677 0.000 20.204) 20.536 11.512 ( -15.538 0.000 5.000) 16.323 11.741 ( -3.793 0.000 -21.389) 21.722 11.767 ( -2.784 0.000 -10.297) 10.666 12.278 ( 23.706 0.000 39.691) 46.231 12.763 ( 16.835 0.000 8.402) 18.815 12.994 ( 22.618 0.000 -12.532) 25.858 13.082 ( 22.930 0.000 -33.500) 40.596 14.129 ( -12.266 0.000 5.065) 13.270 14.237 ( -10.203 0.000 -3.921) 10.930 14.726 ( 1.248 0.000 9.718) 9.798 14.830 ( -1.733 0.000 15.848) 15.942 14.946 ( 1.230 0.000 -10.163) 10.237 15.054 ( -2.522 0.000 -5.033) 5.629 15.274 ( 2.531 0.000 3.712) 4.492 15.328 ( 2.593 0.000 -1.456) 2.974 15.491 ( 8.063 0.000 9.042) 12.115 15.511 ( -6.717 0.000 5.466) 8.660 15.659 ( 12.547 0.000 -6.237) 14.012 15.721 ( -4.823 0.000 -11.623) 12.584 22.698 ( -7.691 0.000 -0.345) 7.698 22.709 ( -6.828 0.000 -1.228) 6.938 23.176 ( -1.404 0.000 18.909) 18.961 23.532 ( -4.501 0.000 -14.750) 15.422 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -3.898 0.000 16.234) 16.695 3.126 ( -9.836 0.000 18.374) 20.841 3.264 ( -3.811 0.000 -10.114) 10.808 3.490 ( -9.737 0.000 -16.351) 19.031 3.799 ( -1.168 0.000 13.296) 13.348 3.943 ( -13.729 0.000 2.503) 13.955 4.002 ( 2.444 0.000 -6.862) 7.284 4.015 ( -13.305 0.000 -4.668) 14.100 4.389 ( -7.989 0.000 7.628) 11.046 4.628 ( -3.035 0.000 -13.326) 13.668 4.925 ( -19.185 0.000 9.718) 21.506 5.007 ( -15.240 0.000 3.167) 15.566 5.667 ( 2.484 0.000 13.242) 13.474 5.813 ( -29.649 0.000 23.838) 38.044 5.894 ( -6.920 0.000 -9.333) 11.618 6.059 ( 0.289 0.000 13.725) 13.728 6.323 ( -9.458 0.000 -7.055) 11.799 6.389 ( -13.808 0.000 9.524) 16.774 6.415 ( 3.041 0.000 4.912) 5.777 6.909 ( -52.368 0.000 -49.029) 71.737 7.149 ( -8.561 0.000 34.281) 35.334 7.370 ( 4.694 0.000 12.290) 13.156 7.538 ( -11.096 0.000 7.293) 13.278 7.712 ( -3.479 0.000 -5.703) 6.681 8.033 ( 13.732 0.000 -4.589) 14.478 8.184 ( -9.982 0.000 -2.418) 10.271 8.278 ( -0.512 0.000 9.249) 9.263 8.418 ( 7.605 0.000 -5.315) 9.279 8.977 ( -11.069 0.000 -11.284) 15.807 9.095 ( 0.426 0.000 18.101) 18.106 9.417 ( -29.417 0.000 -36.380) 46.785 9.495 ( 5.299 0.000 -18.885) 19.614 9.913 ( 3.849 0.000 4.094) 5.619 9.959 ( -8.847 0.000 -2.205) 9.118 10.620 ( 8.759 0.000 27.408) 28.773 11.060 ( -9.318 0.000 13.815) 16.664 11.167 ( 6.181 0.000 -22.379) 23.217 11.200 ( -14.100 0.000 4.855) 14.912 11.563 ( -8.339 0.000 -7.697) 11.349 11.717 ( -5.112 0.000 -19.319) 19.984 12.900 ( 33.776 0.000 39.128) 51.690 13.185 ( 22.426 0.000 15.554) 27.292 13.487 ( 24.488 0.000 -13.179) 27.809 13.588 ( 17.040 0.000 -24.176) 29.578 13.849 ( -9.738 0.000 0.670) 9.762 13.967 ( -13.036 0.000 -9.140) 15.921 14.775 ( 3.401 0.000 9.997) 10.560 14.775 ( -4.076 0.000 15.779) 16.297 14.975 ( 1.796 0.000 -8.776) 8.958 15.004 ( -2.961 0.000 -6.296) 6.957 15.308 ( -11.441 0.000 6.314) 13.068 15.329 ( 2.453 0.000 3.778) 4.505 15.379 ( 1.880 0.000 -0.974) 2.117 15.497 ( -9.145 0.000 -8.637) 12.579 15.754 ( 11.085 0.000 9.481) 14.587 15.988 ( 16.613 0.000 -9.217) 18.998 22.430 ( -16.416 0.000 1.600) 16.494 22.528 ( -12.445 0.000 -7.183) 14.370 23.136 ( -2.334 0.000 13.792) 13.988 23.407 ( -7.369 0.000 -11.994) 14.077 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( -21.405 0.000 16.918) 27.284 2.918 ( -10.956 0.000 14.739) 18.365 3.083 ( -13.360 0.000 -14.300) 19.570 3.205 ( -23.552 0.000 -9.558) 25.418 3.413 ( -22.805 0.000 7.684) 24.064 3.733 ( -20.330 0.000 -13.875) 24.614 3.929 ( 12.311 0.000 11.857) 17.092 4.054 ( -5.140 0.000 -2.461) 5.699 4.134 ( -38.739 0.000 14.193) 41.257 4.245 ( -4.998 0.000 8.631) 9.974 4.559 ( -5.358 0.000 -19.714) 20.429 4.670 ( -20.890 0.000 -22.174) 30.464 5.341 ( -18.325 0.000 4.709) 18.920 5.593 ( -12.828 0.000 0.562) 12.840 5.654 ( -11.619 0.000 -4.441) 12.439 5.680 ( -38.927 0.000 -30.389) 49.384 6.071 ( -10.449 0.000 20.636) 23.131 6.118 ( 2.856 0.000 7.174) 7.722 6.362 ( -6.624 0.000 -14.891) 16.298 6.476 ( -5.028 0.000 -12.028) 13.037 7.085 ( -0.795 0.000 1.416) 1.624 7.182 ( -6.396 0.000 -4.799) 7.996 7.428 ( -2.878 0.000 12.047) 12.387 7.663 ( -0.418 0.000 -8.445) 8.456 8.010 ( 2.536 0.000 13.149) 13.391 8.374 ( -13.240 0.000 -25.589) 28.812 8.427 ( 12.509 0.000 17.614) 21.604 8.702 ( 15.574 0.000 -4.851) 16.312 8.729 ( 12.702 0.000 12.826) 18.051 9.125 ( 2.075 0.000 17.807) 17.927 9.176 ( 3.241 0.000 -25.252) 25.460 9.548 ( -0.654 0.000 -18.982) 18.994 9.924 ( -1.542 0.000 4.232) 4.504 9.945 ( -1.848 0.000 1.747) 2.543 10.797 ( 9.675 0.000 22.092) 24.117 10.898 ( -5.022 0.000 6.437) 8.164 10.970 ( -7.257 0.000 1.601) 7.432 11.221 ( 0.174 0.000 -17.158) 17.159 11.421 ( -5.756 0.000 -2.026) 6.103 11.571 ( -8.621 0.000 -14.317) 16.712 13.367 ( -3.779 0.000 6.181) 7.245 13.439 ( -11.163 0.000 -2.727) 11.491 13.636 ( 21.241 0.000 17.426) 27.475 13.778 ( 12.590 0.000 13.352) 18.352 13.964 ( 21.794 0.000 -14.034) 25.922 14.147 ( 14.672 0.000 -14.352) 20.525 14.635 ( -9.754 0.000 16.031) 18.765 14.871 ( 5.968 0.000 8.177) 10.123 14.893 ( -8.674 0.000 -9.417) 12.803 15.032 ( 4.053 0.000 -6.690) 7.822 15.101 ( -7.172 0.000 5.189) 8.852 15.298 ( -9.516 0.000 -11.823) 15.177 15.363 ( 0.638 0.000 2.591) 2.668 15.387 ( -1.392 0.000 0.306) 1.425 16.022 ( 14.390 0.000 16.633) 21.994 16.287 ( 11.507 0.000 -7.007) 13.473 22.085 ( -15.670 0.000 0.681) 15.685 22.221 ( -16.361 0.000 -11.389) 19.935 23.090 ( -1.871 0.000 7.157) 7.398 23.251 ( -7.354 0.000 -8.393) 11.159 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -3.886 0.000 -6.933) 7.948 2.595 ( -6.704 0.000 -8.114) 10.525 2.683 ( -26.153 0.000 -29.461) 39.394 2.833 ( -15.155 0.000 -20.541) 25.526 3.169 ( -6.668 0.000 -7.358) 9.930 3.224 ( -19.380 0.000 -15.369) 24.735 3.588 ( -10.981 0.000 -0.980) 11.024 3.675 ( -20.584 0.000 -10.049) 22.906 4.224 ( 14.832 0.000 5.632) 15.865 4.226 ( 3.666 0.000 -0.146) 3.669 4.382 ( -10.362 0.000 -15.609) 18.735 4.450 ( -5.557 0.000 -17.047) 17.930 5.065 ( -3.403 0.000 2.737) 4.367 5.206 ( -14.005 0.000 -11.151) 17.902 5.402 ( -3.521 0.000 -2.151) 4.126 5.440 ( -7.006 0.000 -4.836) 8.514 6.008 ( 2.986 0.000 4.359) 5.284 6.174 ( 3.059 0.000 0.532) 3.105 6.190 ( -14.804 0.000 -13.078) 19.753 6.252 ( -4.626 0.000 -6.605) 8.064 7.073 ( 3.099 0.000 -1.747) 3.557 7.160 ( -3.900 0.000 -8.502) 9.354 7.568 ( 13.999 0.000 14.897) 20.442 7.753 ( 4.898 0.000 0.600) 4.935 7.963 ( -7.194 0.000 4.506) 8.488 8.054 ( -10.284 0.000 -2.532) 10.592 8.694 ( 12.002 0.000 22.663) 25.645 8.860 ( -2.303 0.000 18.430) 18.573 9.130 ( 17.358 0.000 5.706) 18.272 9.251 ( 10.895 0.000 -8.918) 14.080 9.283 ( 2.917 0.000 -6.633) 7.246 9.460 ( -7.885 0.000 -17.484) 19.180 9.831 ( -4.995 0.000 -1.968) 5.369 9.851 ( -5.909 0.000 -4.303) 7.309 10.871 ( 1.749 0.000 3.517) 3.928 10.907 ( -0.951 0.000 0.565) 1.106 11.013 ( 10.521 0.000 10.901) 15.150 11.178 ( -4.929 0.000 -4.232) 6.497 11.338 ( -1.412 0.000 -2.511) 2.880 11.399 ( -6.994 0.000 -7.771) 10.455 13.178 ( -5.226 0.000 -6.524) 8.359 13.217 ( -8.510 0.000 -9.784) 12.967 14.039 ( 18.115 0.000 17.052) 24.878 14.145 ( 14.392 0.000 13.325) 19.614 14.295 ( -0.246 0.000 -0.966) 0.997 14.336 ( 3.848 0.000 -5.815) 6.973 14.408 ( -1.524 0.000 9.416) 9.539 14.668 ( -12.643 0.000 -9.691) 15.930 15.016 ( 7.556 0.000 6.487) 9.959 15.038 ( 0.788 0.000 -1.712) 1.885 15.105 ( 0.791 0.000 -0.844) 1.157 15.124 ( -7.061 0.000 -8.825) 11.302 15.338 ( -1.817 0.000 0.471) 1.877 15.351 ( -1.612 0.000 0.008) 1.612 16.296 ( 10.967 0.000 12.934) 16.958 16.414 ( 0.242 0.000 2.319) 2.332 21.865 ( -4.333 0.000 -4.794) 6.462 21.931 ( -10.187 0.000 -10.531) 14.652 23.074 ( 0.676 0.000 0.821) 1.064 23.127 ( -4.508 0.000 -4.276) 6.213 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 0.000 -5.720 17.805) 18.701 3.162 ( 0.000 -7.596 -11.567) 13.838 3.446 ( 0.000 7.310 20.330) 21.604 3.732 ( 0.000 -6.977 -2.222) 7.323 3.761 ( 0.000 -8.779 -1.460) 8.900 3.821 ( 0.000 0.083 -8.995) 8.995 4.158 ( 0.000 5.372 3.667) 6.504 4.284 ( 0.000 -10.297 -10.951) 15.032 4.545 ( 0.000 -1.064 11.490) 11.539 4.831 ( 0.000 7.501 -12.536) 14.608 5.269 ( 0.000 14.587 4.255) 15.195 5.310 ( 0.000 3.519 0.519) 3.557 5.800 ( 0.000 9.769 18.941) 21.312 6.119 ( 0.000 5.967 -10.482) 12.061 6.275 ( 0.000 41.668 8.096) 42.448 6.303 ( 0.000 8.909 4.207) 9.852 6.414 ( 0.000 -2.450 -3.238) 4.060 6.428 ( 0.000 20.724 -3.152) 20.962 6.914 ( 0.000 4.567 15.974) 16.614 7.147 ( 0.000 -0.442 4.460) 4.481 7.441 ( 0.000 2.695 40.853) 40.942 7.541 ( 0.000 16.818 15.690) 23.001 7.667 ( 0.000 -7.067 4.994) 8.654 7.919 ( 0.000 4.266 -4.564) 6.247 8.047 ( 0.000 -6.565 0.528) 6.586 8.585 ( 0.000 -0.764 -31.355) 31.365 8.716 ( 0.000 5.902 20.148) 20.995 8.945 ( 0.000 12.080 -11.118) 16.417 9.426 ( 0.000 1.565 -0.793) 1.754 9.520 ( 0.000 -6.013 6.640) 8.958 9.644 ( 0.000 6.993 3.428) 7.789 9.750 ( 0.000 2.281 17.618) 17.765 9.947 ( 0.000 8.226 21.961) 23.451 10.090 ( 0.000 3.042 20.110) 20.339 10.557 ( 0.000 -1.795 -30.991) 31.043 11.150 ( 0.000 -0.665 -42.250) 42.255 11.219 ( 0.000 -1.666 13.815) 13.915 11.647 ( 0.000 -5.145 9.512) 10.814 11.672 ( 0.000 -4.623 -19.951) 20.480 11.747 ( 0.000 -5.622 1.637) 5.856 11.990 ( 0.000 -3.975 32.774) 33.014 12.495 ( 0.000 -14.665 -11.860) 18.861 12.550 ( 0.000 -9.958 -9.080) 13.476 12.764 ( 0.000 -9.113 -29.867) 31.226 14.337 ( 0.000 6.527 4.219) 7.772 14.388 ( 0.000 5.029 1.280) 5.189 14.767 ( 0.000 4.908 6.436) 8.094 14.842 ( 0.000 -0.554 13.097) 13.108 14.956 ( 0.000 2.061 -7.593) 7.868 15.070 ( 0.000 -2.273 -6.290) 6.688 15.207 ( 0.000 -7.207 5.979) 9.365 15.246 ( 0.000 0.094 0.992) 0.996 15.389 ( 0.000 -0.185 1.478) 1.489 15.454 ( 0.000 -5.222 -3.087) 6.067 15.585 ( 0.000 -0.764 4.235) 4.303 15.723 ( 0.000 -5.685 -9.176) 10.794 22.742 ( 0.000 -0.639 3.534) 3.592 22.814 ( 0.000 1.465 -3.259) 3.573 23.154 ( 0.000 -3.705 19.850) 20.193 23.526 ( 0.000 -5.528 -15.139) 16.117 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.847 ( -2.060 -7.212 16.226) 17.876 3.130 ( -4.174 -9.038 -11.302) 15.062 3.362 ( -6.349 0.648 16.495) 17.686 3.632 ( -8.300 -8.904 -7.111) 14.097 3.747 ( -0.370 -2.838 3.637) 4.628 3.877 ( 1.621 -1.267 -4.530) 4.975 4.197 ( 1.731 4.515 2.897) 5.637 4.288 ( 1.422 0.016 -8.774) 8.889 4.521 ( -2.252 -0.594 7.440) 7.796 4.745 ( -7.633 5.461 -9.320) 13.227 5.244 ( -2.353 10.654 4.787) 11.914 5.320 ( -0.297 3.240 -1.878) 3.757 5.797 ( 0.097 15.459 16.860) 22.875 6.074 ( -3.620 14.568 -8.017) 17.018 6.153 ( -5.613 20.751 7.729) 22.844 6.282 ( -1.295 10.450 -2.483) 10.819 6.438 ( -3.344 6.451 7.288) 10.291 6.500 ( -1.927 9.817 1.090) 10.064 7.031 ( 4.979 8.097 22.946) 24.837 7.099 ( -9.501 11.185 24.990) 28.981 7.373 ( -5.518 2.391 33.451) 33.988 7.496 ( 7.789 4.917 -1.759) 9.378 7.687 ( -3.476 -0.280 -1.195) 3.686 7.775 ( -8.583 -3.551 -3.914) 10.080 7.967 ( -12.728 0.216 -6.063) 14.100 8.387 ( -9.441 -3.439 -12.102) 15.729 8.576 ( -13.120 8.486 -4.992) 16.403 8.721 ( -21.643 7.847 -9.809) 25.025 9.214 ( -23.313 -0.659 12.312) 26.372 9.372 ( 0.719 -0.124 -8.180) 8.212 9.478 ( -16.584 13.146 10.324) 23.547 9.732 ( 4.624 8.487 -8.082) 12.599 9.841 ( -0.085 0.989 19.751) 19.776 10.360 ( 17.452 0.645 26.571) 31.796 10.652 ( -38.799 2.937 -41.729) 57.055 10.916 ( 18.957 -0.277 -21.750) 28.853 11.172 ( -4.717 -3.624 19.380) 20.273 11.451 ( -14.122 -5.910 4.986) 16.101 11.678 ( -8.526 -6.965 -12.343) 16.539 11.752 ( 1.603 -0.547 -18.757) 18.834 12.193 ( 19.496 -8.753 33.134) 39.428 12.665 ( 17.965 -10.908 10.640) 23.557 12.768 ( 18.242 -17.485 -18.335) 31.220 13.067 ( 24.708 -8.550 -24.995) 36.171 14.202 ( -11.701 7.191 4.431) 14.431 14.294 ( -9.627 5.729 -3.278) 11.673 14.772 ( 0.934 4.617 8.747) 9.935 14.829 ( -0.828 0.620 12.048) 12.092 14.968 ( 0.577 1.057 -5.990) 6.109 15.032 ( -1.640 -1.373 -4.763) 5.222 15.244 ( 0.497 -5.714 2.882) 6.419 15.272 ( 1.921 -1.945 -0.016) 2.734 15.467 ( 6.982 -2.731 5.763) 9.456 15.528 ( -3.272 0.756 2.717) 4.320 15.616 ( 11.490 -5.551 -4.877) 13.661 15.674 ( -2.774 -2.908 -8.850) 9.720 22.694 ( -5.175 -0.585 0.488) 5.231 22.718 ( -9.121 1.557 -1.849) 9.436 23.137 ( -1.699 -4.007 17.935) 18.456 23.476 ( -4.750 -5.794 -14.097) 15.964 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -9.977 -11.623 12.002) 19.460 2.959 ( -12.042 -14.944 -11.149) 22.195 3.252 ( -4.793 0.775 13.391) 14.244 3.446 ( -10.343 -13.182 -3.393) 17.095 3.677 ( -6.557 0.488 6.055) 8.938 3.885 ( -0.902 2.182 -7.204) 7.581 4.119 ( -9.407 2.715 13.699) 16.839 4.344 ( 0.476 11.566 -5.384) 12.766 4.471 ( -2.495 5.705 -3.201) 7.001 4.556 ( -9.582 -3.616 -5.736) 11.738 5.113 ( -15.181 11.803 6.397) 20.265 5.220 ( -13.655 8.270 -2.727) 16.195 5.543 ( -28.344 1.458 23.331) 36.740 5.906 ( -15.305 9.489 -5.643) 18.871 6.011 ( -2.503 12.191 7.919) 14.751 6.240 ( -8.775 12.743 -0.301) 15.475 6.395 ( 0.914 10.104 5.971) 11.772 6.450 ( -2.331 6.565 2.551) 7.419 6.573 ( -14.334 15.922 10.404) 23.816 7.068 ( -39.147 14.563 -26.163) 49.286 7.262 ( -11.277 14.504 19.016) 26.441 7.377 ( 6.780 0.676 12.015) 13.813 7.607 ( -7.623 6.565 1.744) 10.210 7.682 ( -3.091 -1.944 -1.629) 3.998 7.935 ( 18.515 -8.271 -3.619) 20.598 8.187 ( -11.421 3.220 -10.281) 15.701 8.329 ( -4.981 4.891 5.691) 9.007 8.492 ( 6.018 5.726 -2.244) 8.605 8.936 ( -5.498 1.068 9.647) 11.155 9.258 ( -3.950 11.682 3.841) 12.917 9.426 ( -3.221 -0.618 -20.645) 20.904 9.560 ( -26.014 10.105 -26.776) 38.675 9.933 ( 5.986 1.998 5.629) 8.456 10.032 ( -5.507 7.122 -5.370) 10.483 10.594 ( 4.624 -3.123 26.641) 27.219 11.011 ( -7.848 -4.842 12.847) 15.814 11.132 ( -5.488 -4.016 -14.735) 16.228 11.211 ( -1.354 1.535 -7.403) 7.681 11.496 ( -7.543 -5.843 -3.405) 10.131 11.709 ( -5.356 -0.247 -19.214) 19.948 12.707 ( 27.698 -17.326 30.011) 44.363 13.112 ( 23.371 -14.111 10.915) 29.402 13.213 ( 23.728 -17.018 -5.857) 29.781 13.604 ( 24.257 -11.287 -19.032) 32.833 13.912 ( -14.885 7.525 2.890) 16.927 14.029 ( -14.876 6.847 -7.770) 18.126 14.793 ( -0.761 3.329 10.772) 11.300 14.824 ( 1.621 4.779 6.561) 8.277 14.958 ( -1.842 -2.590 -2.129) 3.825 15.025 ( -0.024 1.998 -7.853) 8.104 15.182 ( -6.251 -6.451 3.902) 9.794 15.273 ( -2.164 -4.389 -2.750) 5.614 15.477 ( -0.581 4.693 1.280) 4.899 15.512 ( -2.887 0.507 -1.615) 3.347 15.720 ( 10.586 -3.330 8.689) 14.094 15.941 ( 16.367 -4.661 -8.915) 19.212 22.451 ( -15.901 2.444 0.557) 16.097 22.523 ( -11.923 -0.205 -5.769) 13.247 23.088 ( -2.936 -4.973 12.894) 14.128 23.344 ( -7.822 -6.554 -11.455) 15.341 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -12.425 -12.436 8.839) 19.676 2.700 ( -12.514 -18.110 -9.558) 23.998 3.003 ( -23.291 0.803 21.328) 31.591 3.231 ( -9.320 -0.474 -5.888) 11.034 3.476 ( -12.255 0.608 -1.991) 12.430 3.770 ( -13.566 7.808 -14.860) 21.583 3.839 ( -19.261 -5.707 26.984) 33.641 4.133 ( -19.725 4.503 2.232) 20.355 4.275 ( -9.893 6.001 -1.784) 11.707 4.512 ( 0.696 5.569 -18.491) 19.324 4.702 ( -8.510 10.665 -9.483) 16.616 4.714 ( -35.541 15.560 -12.632) 40.803 5.198 ( -12.906 -10.158 4.633) 17.065 5.401 ( -26.114 -10.723 -15.133) 32.030 5.652 ( -23.979 1.217 7.217) 25.071 5.951 ( -28.437 12.165 -21.651) 37.755 6.175 ( -5.306 15.047 6.075) 17.073 6.344 ( -5.891 8.434 -8.495) 13.342 6.641 ( 6.526 35.713 5.723) 36.753 6.746 ( 9.605 21.318 -2.761) 23.544 7.202 ( 0.048 15.387 6.669) 16.770 7.287 ( -5.102 12.560 -0.964) 13.591 7.493 ( -4.905 7.321 6.660) 11.046 7.661 ( 0.027 -0.149 -5.228) 5.230 8.052 ( 1.460 7.166 10.052) 12.431 8.330 ( 1.512 -4.326 5.602) 7.238 8.360 ( 12.104 -7.026 -8.418) 16.331 8.600 ( -9.483 2.957 -12.414) 15.899 8.891 ( 15.199 6.467 9.698) 19.155 9.142 ( 3.124 3.672 -4.285) 6.450 9.241 ( 1.223 6.893 -0.064) 7.001 9.545 ( 2.734 -1.340 -15.900) 16.189 9.976 ( -3.804 3.653 3.864) 6.538 10.004 ( -3.156 6.382 0.583) 7.144 10.613 ( 1.031 -13.972 18.151) 22.929 10.920 ( -5.670 -4.471 -5.697) 9.198 10.999 ( 3.679 3.510 7.972) 9.456 11.250 ( 0.901 3.391 -13.257) 13.714 11.354 ( -7.030 -4.769 1.590) 8.643 11.551 ( -9.840 -0.411 -14.184) 17.268 13.205 ( 18.569 -19.970 18.522) 32.965 13.458 ( 2.304 -9.522 -6.244) 11.617 13.588 ( -2.668 4.601 5.754) 7.836 13.718 ( 12.621 -9.998 -0.868) 16.125 13.799 ( 3.799 -3.352 1.854) 5.395 14.021 ( 11.452 -22.917 -5.840) 26.276 14.744 ( -3.079 7.436 4.704) 9.322 14.862 ( -1.236 1.147 -4.000) 4.341 14.897 ( -1.956 -3.487 2.391) 4.659 14.944 ( -6.432 -1.772 0.078) 6.672 15.130 ( 1.681 4.732 -0.518) 5.048 15.205 ( -3.133 -0.415 -5.836) 6.637 15.475 ( -0.206 5.316 0.741) 5.371 15.480 ( -0.545 5.210 -0.091) 5.239 15.981 ( 13.968 -4.280 16.000) 21.666 16.235 ( 11.228 -5.373 -6.711) 14.142 22.118 ( -15.103 3.674 -0.059) 15.544 22.233 ( -15.364 1.451 -10.116) 18.453 23.028 ( -2.566 -6.417 6.423) 9.435 23.179 ( -7.781 -7.552 -8.106) 13.538 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( -5.214 -4.896 3.576) 7.997 2.399 ( -15.152 -11.467 -0.257) 19.004 2.680 ( 1.779 4.361 -21.786) 22.290 3.014 ( -16.043 10.323 -27.681) 33.618 3.255 ( -7.289 5.827 -7.948) 12.258 3.325 ( -20.986 9.739 -19.905) 30.520 3.518 ( -6.108 -9.014 -6.046) 12.455 3.708 ( -22.213 2.607 -14.169) 26.476 4.066 ( -0.294 6.111 -6.286) 8.772 4.232 ( -14.424 0.396 -24.178) 28.156 4.535 ( 5.212 4.887 5.904) 9.268 4.657 ( -2.296 8.347 -3.010) 9.166 4.951 ( -6.879 -10.619 -0.301) 12.656 5.011 ( -11.161 -14.065 -5.153) 18.680 5.404 ( -3.190 -2.116 -2.676) 4.670 5.475 ( -11.466 -0.800 -9.404) 14.851 6.187 ( 1.952 16.659 1.167) 16.814 6.245 ( -3.890 14.374 -4.309) 15.502 6.740 ( 3.514 51.431 1.946) 51.588 6.812 ( -2.660 44.699 -4.757) 45.030 7.170 ( 1.898 10.761 -1.476) 11.027 7.256 ( -4.795 10.497 -8.192) 14.153 7.583 ( 12.808 1.549 13.185) 18.447 7.730 ( 3.835 -2.391 1.104) 4.652 8.012 ( -4.715 7.762 4.826) 10.285 8.101 ( -11.992 8.644 -4.242) 15.379 8.560 ( 7.214 -11.758 13.223) 19.109 8.623 ( 2.238 -16.440 8.238) 18.524 9.245 ( 6.731 7.580 13.113) 16.574 9.280 ( 5.039 3.753 -0.389) 6.295 9.359 ( 17.328 5.520 -7.894) 19.825 9.588 ( 1.978 6.749 -15.355) 16.889 9.797 ( -12.202 -4.030 -1.508) 12.938 9.831 ( -10.847 -0.311 -3.424) 11.378 10.732 ( 9.060 -9.351 7.821) 15.189 10.864 ( -2.099 -3.352 -3.171) 5.070 11.135 ( 7.511 0.217 3.149) 8.147 11.227 ( -2.955 -4.400 -1.328) 5.464 11.242 ( -2.057 1.637 -2.633) 3.721 11.332 ( -10.588 2.240 -5.777) 12.268 13.302 ( -2.887 8.909 -4.197) 10.263 13.335 ( -6.096 9.496 -7.461) 13.528 13.699 ( 12.598 -20.844 12.664) 27.451 13.860 ( 0.646 -24.890 1.310) 24.932 14.078 ( 8.089 -21.098 6.301) 23.458 14.118 ( 1.257 -25.315 -1.108) 25.371 14.701 ( 0.307 3.301 3.199) 4.607 14.782 ( -6.413 1.939 5.748) 8.827 14.845 ( 2.485 1.024 -9.209) 9.593 14.912 ( -2.117 -1.378 -5.021) 5.621 15.158 ( 1.454 7.594 1.317) 7.843 15.185 ( -0.118 7.978 -0.136) 7.980 15.465 ( -0.321 6.801 0.655) 6.840 15.470 ( -0.539 6.455 0.214) 6.481 16.245 ( 10.557 -5.286 12.496) 17.191 16.359 ( 0.244 -5.760 2.278) 6.199 21.905 ( -4.345 4.372 -4.814) 7.821 21.962 ( -9.378 3.471 -9.751) 13.967 23.000 ( 0.243 -7.691 0.367) 7.704 23.049 ( -4.560 -8.116 -4.353) 10.277 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 0.000 -8.870 5.532) 10.453 2.905 ( 0.000 -16.946 -15.373) 22.880 3.510 ( 0.000 -7.268 3.618) 8.119 3.524 ( 0.000 -0.597 8.489) 8.510 3.726 ( 0.000 5.835 5.729) 8.177 4.010 ( 0.000 8.499 -14.309) 16.643 4.094 ( 0.000 -5.981 8.488) 10.383 4.234 ( 0.000 1.804 4.664) 5.001 4.570 ( 0.000 3.818 8.009) 8.872 4.895 ( 0.000 -0.947 -14.816) 14.846 5.222 ( 0.000 -8.971 5.506) 10.526 5.334 ( 0.000 -5.717 -5.237) 7.753 6.029 ( 0.000 11.099 12.232) 16.517 6.208 ( 0.000 1.410 -4.989) 5.184 6.363 ( 0.000 4.215 3.005) 5.176 6.390 ( 0.000 0.788 -0.216) 0.817 6.932 ( 0.000 11.710 11.352) 16.310 7.147 ( 0.000 13.849 -9.778) 16.953 7.276 ( 0.000 36.749 14.898) 39.654 7.366 ( 0.000 32.788 2.553) 32.887 7.490 ( 0.000 1.729 34.004) 34.048 7.620 ( 0.000 19.783 5.060) 20.420 7.795 ( 0.000 11.288 2.632) 11.591 7.946 ( 0.000 -1.442 3.507) 3.792 8.055 ( 0.000 11.257 17.202) 20.558 8.562 ( 0.000 -1.578 -20.301) 20.362 8.926 ( 0.000 18.017 24.161) 30.139 9.124 ( 0.000 -1.737 4.800) 5.105 9.393 ( 0.000 -5.132 -3.891) 6.440 9.516 ( 0.000 13.052 -1.985) 13.202 9.762 ( 0.000 -0.133 25.224) 25.224 9.850 ( 0.000 14.035 3.723) 14.521 10.090 ( 0.000 5.466 -11.824) 13.026 10.267 ( 0.000 16.490 33.493) 37.333 10.493 ( 0.000 -5.280 -31.122) 31.566 11.106 ( 0.000 -5.705 -6.480) 8.633 11.197 ( 0.000 -0.181 -12.024) 12.025 11.431 ( 0.000 -16.036 9.457) 18.617 11.621 ( 0.000 -6.562 1.245) 6.679 11.626 ( 0.000 -3.081 -10.265) 10.717 11.880 ( 0.000 -6.395 15.558) 16.821 12.142 ( 0.000 -23.048 -12.281) 26.116 12.283 ( 0.000 -17.449 -15.733) 23.495 12.456 ( 0.000 -21.862 -24.561) 32.881 14.489 ( 0.000 8.935 2.567) 9.297 14.510 ( 0.000 7.378 1.529) 7.535 14.845 ( 0.000 1.125 10.014) 10.077 14.877 ( 0.000 5.593 4.261) 7.031 14.959 ( 0.000 -3.143 1.270) 3.390 15.012 ( 0.000 -3.449 -3.722) 5.075 15.107 ( 0.000 -1.570 1.404) 2.106 15.225 ( 0.000 -4.397 -7.849) 8.997 15.323 ( 0.000 -5.791 2.355) 6.252 15.363 ( 0.000 -2.251 -1.622) 2.774 15.568 ( 0.000 -0.935 1.788) 2.018 15.623 ( 0.000 -4.199 -3.381) 5.391 22.743 ( 0.000 1.183 5.907) 6.025 22.863 ( 0.000 3.699 -5.156) 6.346 23.062 ( 0.000 -5.587 16.752) 17.659 23.382 ( 0.000 -9.447 -13.155) 16.195 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 0.385 -6.055 5.141) 7.952 2.900 ( -1.495 -14.159 -13.878) 19.883 3.357 ( -9.493 1.415 6.923) 11.834 3.477 ( -7.088 -4.045 -0.688) 8.190 3.780 ( 2.520 2.590 3.855) 5.284 3.929 ( -4.909 6.247 -7.370) 10.837 4.134 ( 2.582 -4.125 13.143) 14.015 4.326 ( 5.129 -1.186 6.693) 8.515 4.557 ( -1.037 4.705 -0.624) 4.858 4.792 ( -9.319 -1.146 -10.653) 14.200 5.163 ( -4.638 -11.531 4.918) 13.366 5.292 ( -4.270 -7.435 -7.023) 11.083 6.064 ( 3.040 10.190 10.079) 14.652 6.209 ( 0.358 0.846 -3.901) 4.008 6.364 ( -2.665 5.225 5.791) 8.243 6.417 ( 5.556 8.864 0.466) 10.472 6.895 ( -26.113 24.975 21.505) 42.049 7.094 ( 1.754 21.697 9.873) 23.902 7.165 ( -4.301 11.558 2.705) 12.626 7.343 ( -3.531 14.275 3.651) 15.152 7.523 ( 5.201 5.376 26.781) 27.806 7.588 ( -16.193 5.912 10.532) 20.201 7.688 ( -5.613 7.657 8.914) 13.023 7.828 ( 1.695 19.502 2.017) 19.679 8.048 ( -5.134 8.277 -7.615) 12.364 8.329 ( -11.488 -1.656 -15.747) 19.563 8.819 ( -10.751 15.673 -3.072) 19.252 8.900 ( -27.276 9.113 -12.095) 31.198 9.206 ( -2.167 2.304 15.690) 16.006 9.434 ( -13.490 9.400 -4.180) 16.965 9.721 ( -0.017 9.125 5.938) 10.887 9.848 ( 1.266 5.147 11.138) 12.335 9.984 ( -1.956 13.814 6.328) 15.320 10.415 ( 13.634 6.521 25.700) 29.815 10.758 ( -30.667 8.703 -35.160) 47.460 10.901 ( 20.674 -1.425 -18.061) 27.489 11.036 ( -8.473 -11.064 14.742) 20.287 11.315 ( -10.380 -9.231 -1.046) 13.930 11.528 ( -7.768 -6.575 -3.927) 10.908 11.752 ( 3.724 0.487 -19.694) 20.049 11.979 ( 11.546 -12.631 20.595) 26.777 12.326 ( 17.212 -25.444 10.641) 32.510 12.405 ( 12.689 -20.247 -17.948) 29.885 12.697 ( 18.974 -29.924 -19.481) 40.435 14.375 ( -9.801 10.520 2.763) 14.641 14.432 ( -8.182 8.360 -2.039) 11.874 14.858 ( 0.752 3.243 7.211) 7.942 14.887 ( 2.096 5.408 4.838) 7.553 14.931 ( -1.774 -3.811 3.422) 5.421 15.032 ( 1.179 -1.134 -5.287) 5.534 15.135 ( 0.682 -2.984 1.419) 3.374 15.233 ( -0.048 -3.126 -6.265) 7.002 15.389 ( 5.342 -5.146 3.872) 8.367 15.459 ( 8.574 -6.254 -2.581) 10.922 15.559 ( -0.031 0.012 2.232) 2.233 15.629 ( 2.365 -2.258 -4.178) 5.306 22.695 ( -4.922 1.168 3.231) 6.003 22.772 ( -8.668 4.190 -4.074) 10.454 23.036 ( -2.522 -6.188 15.059) 16.475 23.325 ( -5.420 -9.893 -12.131) 16.565 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -8.727 2.648 4.088) 9.994 2.792 ( -9.569 -4.299 -10.801) 15.056 3.216 ( -3.293 -1.925 0.669) 3.873 3.283 ( -10.330 -1.887 0.412) 10.509 3.738 ( -7.154 4.520 7.453) 11.276 3.889 ( 0.340 -1.879 -4.935) 5.292 4.117 ( -6.137 -0.762 23.218) 24.027 4.337 ( -3.928 -5.066 9.372) 11.354 4.463 ( -13.103 -8.762 -6.883) 17.200 4.628 ( -1.999 8.675 -14.970) 17.417 5.036 ( -8.595 -15.584 3.669) 18.172 5.151 ( -10.135 -7.300 -6.826) 14.234 5.767 ( -42.134 13.841 24.597) 50.713 6.157 ( -14.360 6.858 -4.565) 16.556 6.262 ( 4.233 12.941 8.470) 16.035 6.445 ( -22.479 9.932 -1.243) 24.607 6.637 ( -3.360 11.477 0.763) 11.983 6.711 ( -12.531 16.380 -3.825) 20.976 6.803 ( -11.053 11.843 15.006) 22.081 7.302 ( -29.877 4.200 -17.037) 34.649 7.387 ( 4.960 -1.050 14.587) 15.443 7.553 ( -7.351 3.966 -8.482) 11.904 7.685 ( -2.869 4.271 1.124) 5.266 7.765 ( 4.326 3.383 -6.303) 8.360 7.932 ( 9.779 15.350 13.191) 22.478 8.307 ( 6.978 4.911 -11.290) 14.152 8.570 ( -3.246 25.098 0.824) 25.320 8.676 ( -0.331 19.702 -3.579) 20.027 9.117 ( -4.732 20.115 15.096) 25.591 9.366 ( 2.727 -3.031 -6.808) 7.936 9.512 ( -11.234 16.339 8.946) 21.753 9.919 ( -23.252 23.120 -23.803) 40.519 9.980 ( 7.690 4.362 10.464) 13.699 10.185 ( -8.574 9.405 -9.095) 15.642 10.487 ( -7.624 -7.651 21.140) 23.739 10.943 ( 3.147 -0.474 11.277) 11.717 10.987 ( -14.912 -11.569 -19.312) 27.003 11.243 ( 7.252 0.679 -16.014) 17.592 11.436 ( -2.248 2.051 9.512) 9.987 11.737 ( -3.898 4.082 -17.695) 18.573 12.327 ( 20.490 -21.900 21.201) 36.728 12.668 ( 16.826 -29.331 -3.041) 33.951 12.808 ( 22.307 -29.941 5.960) 37.810 13.083 ( 16.375 -41.031 -10.188) 45.337 14.127 ( -13.442 13.698 1.248) 19.232 14.204 ( -13.078 11.115 -5.712) 18.089 14.846 ( -3.846 -2.038 3.294) 5.459 14.867 ( -5.096 -6.255 0.883) 8.116 14.951 ( 2.712 6.998 3.093) 8.117 15.046 ( 1.707 3.614 -3.544) 5.341 15.160 ( 3.397 3.257 1.202) 4.858 15.230 ( 1.019 0.590 -3.894) 4.068 15.496 ( 3.203 -2.205 4.210) 5.731 15.525 ( 0.174 0.389 0.339) 0.544 15.647 ( 8.608 -3.731 6.732) 11.547 15.827 ( 14.385 -7.044 -7.654) 17.752 22.528 ( -14.316 5.695 -2.029) 15.541 22.536 ( -10.726 2.057 -2.437) 11.190 22.961 ( -4.629 -8.005 10.382) 13.902 23.173 ( -9.051 -11.172 -9.765) 17.381 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -10.673 7.670 1.679) 13.250 2.580 ( -7.897 4.168 -10.160) 13.526 2.985 ( -19.460 -1.037 17.585) 26.249 3.219 ( 0.388 -1.984 -8.219) 8.463 3.525 ( -11.435 4.419 6.414) 13.836 3.734 ( -25.794 -4.440 25.845) 36.783 3.888 ( -8.127 2.264 -17.113) 19.080 4.185 ( -13.105 -5.633 -6.412) 15.639 4.218 ( -5.097 -2.367 6.495) 8.589 4.584 ( -5.904 6.538 -25.139) 26.638 4.798 ( -13.499 -7.526 -0.067) 15.455 4.859 ( -16.231 0.775 -4.813) 16.947 5.071 ( -22.298 -1.218 5.759) 23.062 5.429 ( -46.471 12.573 -30.963) 57.239 5.595 ( -30.335 -7.206 12.613) 33.634 6.039 ( -43.650 -2.178 -28.911) 52.401 6.540 ( 1.528 22.636 3.833) 23.009 6.618 ( 2.210 17.299 -3.689) 17.826 7.016 ( 17.002 7.141 4.007) 18.871 7.049 ( 13.810 9.973 -0.563) 17.044 7.473 ( 4.262 2.278 15.597) 16.328 7.583 ( 1.142 8.375 6.846) 10.877 7.665 ( -0.700 1.619 -0.591) 1.861 7.758 ( -3.693 10.586 -6.630) 13.025 8.156 ( 9.849 -2.763 11.615) 15.477 8.427 ( 0.432 12.838 -11.640) 17.335 8.621 ( 4.453 47.221 6.896) 47.930 8.800 ( 10.894 16.648 -7.839) 21.384 9.010 ( -8.230 12.073 8.787) 17.050 9.288 ( -2.421 9.914 -12.157) 15.873 9.482 ( -0.315 9.773 -1.329) 9.868 9.538 ( -0.265 18.881 -5.842) 19.766 10.004 ( -9.722 -2.573 7.706) 12.669 10.095 ( -6.044 0.918 -0.222) 6.117 10.377 ( 2.795 -7.079 14.168) 16.083 10.750 ( -4.927 -11.094 -18.463) 22.096 11.049 ( 3.074 2.407 7.683) 8.618 11.265 ( -5.727 -2.159 -10.457) 12.116 11.418 ( 1.346 12.028 6.857) 13.911 11.636 ( -4.713 10.706 -11.131) 16.147 12.738 ( 18.503 -28.144 16.607) 37.553 12.993 ( 14.053 -33.352 -4.988) 36.534 13.201 ( 14.470 -39.877 7.298) 43.045 13.310 ( 5.563 -48.352 -0.242) 48.672 13.872 ( -10.388 16.268 -1.245) 19.342 13.942 ( -11.548 13.989 -7.617) 19.674 14.694 ( -8.448 -8.719 -0.278) 12.144 14.726 ( -8.009 -9.400 -2.900) 12.685 15.016 ( 3.642 10.010 3.558) 11.230 15.097 ( 2.035 11.025 -3.840) 11.851 15.259 ( 5.356 8.836 3.002) 10.759 15.311 ( 6.075 9.843 -1.093) 11.618 15.527 ( 0.085 0.219 0.973) 1.001 15.528 ( 0.568 0.131 1.087) 1.234 15.872 ( 12.294 -6.880 13.950) 19.826 16.094 ( 10.251 -9.361 -5.783) 15.039 22.227 ( -13.555 8.023 -1.936) 15.870 22.287 ( -12.790 4.638 -6.963) 15.283 22.862 ( -4.570 -10.728 4.360) 12.449 22.981 ( -8.992 -12.947 -7.177) 17.321 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( -1.062 10.996 5.150) 12.188 2.428 ( -11.855 12.157 10.909) 20.183 2.751 ( 8.593 3.176 -21.252) 23.143 3.137 ( -17.303 0.110 -30.342) 34.929 3.332 ( 0.995 -3.192 -3.973) 5.193 3.381 ( -0.932 4.643 -7.006) 8.456 3.541 ( -21.282 9.036 -20.090) 30.630 3.757 ( -26.083 1.950 -28.255) 38.502 4.217 ( 2.316 5.902 -0.374) 6.351 4.347 ( -12.277 8.977 -13.939) 20.630 4.548 ( -4.915 -0.163 0.974) 5.013 4.695 ( -15.137 -9.878 3.319) 18.377 4.720 ( 0.337 -2.771 -9.704) 10.097 4.817 ( -11.125 -6.520 -6.164) 14.292 5.276 ( -4.678 -11.589 -2.330) 12.713 5.366 ( -15.811 -10.448 -11.074) 21.949 6.606 ( 2.443 26.253 1.194) 26.393 6.634 ( -0.425 24.122 -1.530) 24.174 7.329 ( 11.242 11.173 0.835) 15.871 7.341 ( 13.109 9.606 1.528) 16.324 7.514 ( -4.951 11.158 5.820) 13.523 7.581 ( -3.615 5.806 3.253) 7.573 7.625 ( -0.575 10.649 -1.124) 10.723 7.679 ( -0.316 -2.141 1.327) 2.539 8.321 ( 5.899 -7.314 7.924) 12.292 8.396 ( -1.989 -3.492 0.443) 4.043 8.625 ( -1.909 55.080 1.907) 55.147 8.684 ( -8.298 49.438 -3.901) 50.281 9.261 ( 20.129 -9.372 3.598) 22.494 9.410 ( 9.878 -0.344 -8.337) 12.931 9.503 ( 0.196 18.146 3.244) 18.435 9.564 ( -1.975 6.625 -1.262) 7.027 9.759 ( -9.727 -0.597 2.104) 9.970 9.850 ( -14.146 0.768 -5.804) 15.310 10.593 ( 15.070 -4.516 7.025) 17.229 10.796 ( 4.865 -4.298 -11.408) 13.125 10.956 ( -8.424 -7.602 2.888) 11.709 11.082 ( -11.295 -7.461 -8.216) 15.835 11.485 ( 4.749 18.340 5.973) 19.864 11.567 ( -2.942 17.890 -1.429) 18.187 13.056 ( 12.162 -30.274 11.072) 34.453 13.184 ( 2.097 -28.231 0.603) 28.315 13.344 ( 0.360 -52.863 2.322) 52.915 13.359 ( 1.561 -45.577 1.463) 45.627 13.742 ( -2.262 13.869 -4.380) 14.719 13.768 ( -4.970 13.971 -6.871) 16.344 14.570 ( -2.782 -10.231 -2.286) 10.847 14.590 ( -4.387 -10.798 -3.894) 12.289 15.084 ( 2.697 12.457 1.460) 12.829 15.116 ( -0.279 12.931 -1.444) 13.014 15.365 ( 4.369 13.530 4.548) 14.927 15.401 ( 1.543 14.211 1.698) 14.395 15.527 ( 0.010 -0.231 0.939) 0.967 15.530 ( -0.235 0.071 0.592) 0.641 16.105 ( 9.328 -9.428 11.303) 17.426 16.206 ( 0.192 -10.268 2.192) 10.502 22.033 ( -4.336 9.301 -4.856) 11.353 22.068 ( -7.297 7.911 -7.775) 13.277 22.799 ( -1.031 -13.198 -0.922) 13.270 22.835 ( -4.712 -14.028 -4.529) 15.476 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 0.000 -3.328 -9.057) 9.649 2.638 ( 0.000 -9.449 -15.243) 17.934 3.447 ( 0.000 -0.606 -0.673) 0.905 3.470 ( 0.000 -2.878 -2.703) 3.948 3.894 ( 0.000 8.400 12.766) 15.282 3.982 ( 0.000 -2.464 12.836) 13.070 4.177 ( 0.000 4.049 2.403) 4.708 4.219 ( 0.000 -2.048 12.971) 13.132 4.685 ( 0.000 7.695 -4.973) 9.162 4.824 ( 0.000 -6.102 -11.795) 13.280 5.089 ( 0.000 -2.257 1.939) 2.976 5.171 ( 0.000 -9.039 -5.524) 10.594 6.158 ( 0.000 3.329 3.546) 4.864 6.197 ( 0.000 -1.449 -0.660) 1.592 6.437 ( 0.000 2.639 3.204) 4.150 6.441 ( 0.000 2.547 3.419) 4.263 7.114 ( 0.000 8.498 4.773) 9.746 7.208 ( 0.000 -0.451 -4.386) 4.409 7.411 ( 0.000 -2.522 0.447) 2.561 7.427 ( 0.000 -4.612 -0.208) 4.617 7.691 ( 0.000 9.942 32.712) 34.190 7.852 ( 0.000 -7.008 21.405) 22.523 8.284 ( 0.000 10.016 -2.528) 10.330 8.350 ( 0.000 34.634 29.651) 45.593 8.368 ( 0.000 8.993 -15.133) 17.604 8.684 ( 0.000 29.875 2.909) 30.016 8.874 ( 0.000 -20.795 26.376) 33.588 9.177 ( 0.000 -14.694 5.852) 15.817 9.397 ( 0.000 22.020 9.371) 23.931 9.685 ( 0.000 -7.238 5.407) 9.035 9.985 ( 0.000 24.148 -9.501) 25.950 10.149 ( 0.000 12.111 -4.728) 13.001 10.277 ( 0.000 19.320 4.977) 19.951 10.397 ( 0.000 1.186 -17.030) 17.072 10.614 ( 0.000 18.356 17.400) 25.293 10.906 ( 0.000 -16.276 11.310) 19.819 11.012 ( 0.000 -26.212 11.312) 28.549 11.064 ( 0.000 -20.193 -1.056) 20.220 11.567 ( 0.000 -1.310 -2.640) 2.948 11.582 ( 0.000 3.974 1.051) 4.111 11.694 ( 0.000 -15.718 -25.316) 29.799 11.773 ( 0.000 -7.990 -12.420) 14.768 12.004 ( 0.000 -6.386 -19.540) 20.557 12.097 ( 0.000 -13.426 -18.907) 23.189 14.641 ( 0.000 5.551 0.731) 5.599 14.643 ( 0.000 6.105 0.405) 6.118 14.867 ( 0.000 -2.203 7.610) 7.922 14.888 ( 0.000 -3.952 3.921) 5.567 14.903 ( 0.000 2.719 2.378) 3.612 14.982 ( 0.000 -2.295 -2.721) 3.560 15.107 ( 0.000 -2.734 -1.406) 3.074 15.108 ( 0.000 -0.016 -1.608) 1.608 15.292 ( 0.000 0.434 -1.251) 1.324 15.318 ( 0.000 -2.178 -2.596) 3.389 15.556 ( 0.000 -0.182 0.980) 0.997 15.569 ( 0.000 -1.702 0.046) 1.702 22.795 ( 0.000 4.352 8.451) 9.506 22.888 ( 0.000 -3.983 6.629) 7.733 23.028 ( 0.000 5.453 -1.500) 5.656 23.191 ( 0.000 -10.226 -9.876) 14.217 ======================= Grid point 280 (97/100) ======================= q-point: ( 0.11 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 4.481 -2.552 -8.954) 10.333 2.680 ( 3.433 -7.614 -14.141) 16.424 3.402 ( -4.528 2.176 0.993) 5.121 3.435 ( -3.678 -1.619 -1.912) 4.450 3.876 ( -1.660 8.386 12.081) 14.800 4.026 ( 2.274 -3.262 9.854) 10.626 4.114 ( -6.253 6.066 5.203) 10.147 4.258 ( 2.183 -5.732 6.154) 8.688 4.632 ( -7.835 4.091 0.453) 8.851 4.750 ( -4.847 -4.750 -5.329) 8.629 4.993 ( -7.701 -1.518 -0.628) 7.874 5.109 ( -4.857 -10.103 -9.400) 14.629 6.166 ( 1.499 2.519 2.457) 3.825 6.199 ( 1.458 -1.226 -0.797) 2.066 6.497 ( 5.108 6.272 6.887) 10.623 6.535 ( 8.034 2.604 3.443) 9.120 7.155 ( -5.363 6.205 7.345) 11.010 7.218 ( -3.039 -0.557 3.151) 4.413 7.298 ( -16.013 6.899 19.329) 26.031 7.413 ( -13.212 -4.824 12.057) 18.526 7.526 ( -3.031 1.677 13.364) 13.806 7.589 ( -16.148 -2.766 15.714) 22.701 8.058 ( -12.487 9.738 -11.505) 19.573 8.148 ( -8.746 1.018 -18.610) 20.588 8.335 ( -11.207 21.107 13.133) 27.268 8.453 ( -24.465 12.062 8.216) 28.487 8.905 ( 7.046 -2.581 1.902) 7.741 8.959 ( -12.913 -3.570 -6.024) 14.690 9.561 ( 2.889 27.590 10.501) 29.662 9.748 ( -13.593 16.413 -9.446) 23.311 9.795 ( 3.989 0.999 7.483) 8.539 9.932 ( 4.576 -0.314 1.004) 4.695 10.312 ( -1.347 23.387 20.736) 31.285 10.625 ( -6.283 9.607 18.595) 21.853 10.806 ( 6.230 -7.758 5.882) 11.558 10.878 ( 18.963 0.761 -7.760) 20.503 10.922 ( -7.870 1.413 -10.676) 13.338 11.059 ( -7.047 -14.808 -6.353) 17.586 11.511 ( -3.090 5.036 -0.674) 5.947 11.709 ( 9.308 -8.137 5.123) 13.382 11.756 ( 7.884 -15.990 -13.870) 22.588 11.854 ( 8.295 -13.099 -3.764) 15.955 12.016 ( 1.371 -16.090 -17.693) 23.955 12.137 ( 4.890 -19.844 -17.375) 26.826 14.564 ( -6.958 8.176 0.546) 10.750 14.582 ( -6.174 6.207 -1.007) 8.812 14.840 ( -2.984 -3.748 5.353) 7.184 14.859 ( -3.720 -5.121 4.054) 7.517 14.971 ( 6.274 4.309 1.164) 7.700 15.020 ( 2.933 0.548 -3.048) 4.265 15.134 ( 2.502 0.410 -0.562) 2.596 15.155 ( 3.974 -3.536 -1.593) 5.553 15.332 ( 4.728 -0.177 0.543) 4.762 15.368 ( 5.702 -3.593 -2.119) 7.065 15.564 ( 0.946 0.693 1.456) 1.870 15.589 ( 2.161 -1.866 -0.659) 2.930 22.748 ( -4.734 4.379 6.045) 8.839 22.830 ( -5.918 -1.725 2.281) 6.573 22.970 ( -5.341 3.269 1.993) 6.571 23.126 ( -6.225 -10.596 -8.680) 15.045 ======================= Grid point 281 (98/100) ======================= q-point: ( 0.22 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( 1.666 2.039 -8.066) 8.485 2.744 ( 2.126 -1.608 -11.366) 11.675 3.255 ( -10.066 4.844 4.439) 12.020 3.301 ( -9.668 0.786 0.959) 9.747 3.813 ( -5.244 5.037 8.701) 11.339 3.933 ( -10.007 5.233 2.750) 11.623 4.007 ( -4.989 -6.968 7.623) 11.470 4.204 ( -10.412 -15.235 -4.268) 18.940 4.402 ( -8.336 10.757 16.083) 21.068 4.665 ( -5.136 -13.655 6.549) 15.991 4.844 ( -6.105 5.607 -11.694) 14.334 4.999 ( -6.298 -8.561 -13.497) 17.179 5.996 ( -36.367 10.505 21.924) 43.744 6.151 ( -23.113 -5.390 11.373) 26.318 6.454 ( -0.710 7.537 6.515) 9.988 6.542 ( -12.778 -0.871 5.982) 14.136 6.814 ( -6.611 6.552 0.284) 9.313 6.841 ( -3.650 3.930 2.443) 5.894 7.129 ( -18.841 14.287 -10.770) 25.983 7.290 ( -18.356 -4.180 -14.793) 23.942 7.349 ( -9.320 0.328 -1.955) 9.529 7.450 ( -1.240 -8.693 -7.492) 11.543 7.754 ( -10.660 2.877 -6.489) 12.807 7.798 ( -4.495 -1.187 -7.187) 8.559 8.160 ( 2.199 8.424 15.483) 17.762 8.285 ( 6.466 -4.959 4.947) 9.532 8.975 ( 8.504 14.158 6.537) 17.762 9.116 ( 9.823 4.658 -5.267) 12.080 9.429 ( -8.619 19.125 6.380) 21.926 9.524 ( -8.560 15.145 -3.107) 17.672 9.907 ( -9.860 3.519 6.358) 12.248 9.949 ( 1.422 -5.074 4.732) 7.082 10.206 ( -6.701 20.105 11.949) 24.329 10.403 ( -8.826 -1.063 -0.876) 8.933 10.749 ( -7.706 44.438 -8.793) 45.951 10.811 ( -9.719 2.898 -9.881) 14.160 10.979 ( 8.132 0.059 8.763) 11.955 11.223 ( 10.495 -3.058 -12.026) 16.252 11.557 ( 5.117 7.299 13.546) 16.216 11.841 ( 1.316 -14.668 -3.283) 15.088 11.939 ( 11.319 -4.000 -2.099) 12.187 12.026 ( 6.278 -27.189 0.703) 27.914 12.128 ( 10.967 -38.032 -2.309) 39.649 12.332 ( 12.779 -28.521 -12.851) 33.792 14.378 ( -10.514 11.448 -0.222) 15.545 14.411 ( -9.874 8.911 -3.187) 13.677 14.717 ( -9.688 -7.859 1.433) 12.557 14.724 ( -8.348 -7.819 0.789) 11.465 15.083 ( 5.072 5.898 1.588) 7.939 15.131 ( 6.151 1.670 -2.517) 6.853 15.238 ( 8.416 4.237 2.940) 9.871 15.271 ( 8.297 1.725 0.706) 8.503 15.453 ( 4.955 -0.783 2.402) 5.561 15.492 ( 3.229 -3.350 -0.782) 4.718 15.617 ( 5.325 1.247 2.903) 6.191 15.695 ( 9.239 -6.422 -3.768) 11.866 22.605 ( -8.948 5.063 0.875) 10.318 22.649 ( -11.268 4.521 -3.188) 12.553 22.829 ( -8.115 -3.007 4.752) 9.873 22.950 ( -10.598 -11.606 -6.448) 16.989 ======================= Grid point 282 (99/100) ======================= q-point: ( 0.33 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -3.418 14.112 -6.507) 15.911 2.732 ( -2.721 7.828 -8.410) 11.807 2.975 ( -16.383 0.808 11.628) 20.106 3.112 ( -7.047 -9.895 -3.404) 12.616 3.614 ( -14.754 4.460 11.256) 19.086 3.671 ( -16.593 -2.168 14.456) 22.113 3.876 ( -6.143 -0.554 -9.958) 11.713 3.976 ( -8.600 -10.737 -9.324) 16.619 4.321 ( -1.434 10.054 9.097) 13.635 4.555 ( -4.766 -13.936 6.987) 16.301 4.715 ( -7.662 6.687 -20.885) 23.230 4.825 ( -11.689 -4.674 -13.565) 18.506 5.166 ( -33.817 9.946 13.065) 37.593 5.388 ( -33.266 -12.467 11.554) 37.357 5.699 ( -55.917 13.301 -34.205) 66.885 5.919 ( -53.116 -9.660 -33.837) 63.714 6.882 ( 13.526 9.530 1.966) 16.663 6.901 ( 13.454 9.622 0.630) 16.553 7.131 ( 10.006 7.967 4.556) 13.578 7.184 ( 9.599 5.237 -0.487) 10.946 7.419 ( 5.427 -3.508 7.886) 10.195 7.535 ( 4.891 -10.928 -2.219) 12.176 7.700 ( -0.879 3.357 4.349) 5.564 7.774 ( -1.123 -3.758 -2.444) 4.621 8.258 ( 5.097 12.274 13.984) 19.292 8.482 ( 10.134 -8.050 -1.413) 13.019 9.013 ( -12.368 12.171 -2.646) 17.553 9.183 ( 1.003 1.703 -12.510) 12.665 9.315 ( -3.125 6.473 4.724) 8.601 9.384 ( -5.095 10.668 -0.140) 11.823 9.730 ( -1.510 -1.016 7.625) 7.839 9.883 ( -3.290 -9.096 -4.935) 10.859 10.145 ( 0.509 27.323 7.789) 28.416 10.304 ( 1.015 3.640 -5.405) 6.595 10.632 ( -3.258 55.672 3.927) 55.905 10.751 ( 1.315 27.306 -3.961) 27.623 11.070 ( -1.024 -2.219 3.185) 4.015 11.260 ( -6.921 4.153 -12.873) 15.194 11.661 ( 5.308 1.298 9.940) 11.343 11.824 ( -1.201 -14.996 -4.391) 15.672 12.153 ( 8.148 -29.595 2.473) 30.795 12.194 ( 9.491 -27.145 -0.181) 28.757 12.367 ( 11.385 -32.725 9.465) 35.918 12.563 ( 8.426 -30.090 -7.056) 32.034 14.173 ( -8.662 14.320 -1.769) 16.830 14.211 ( -8.899 12.383 -5.217) 16.117 14.505 ( -9.999 -10.174 -0.952) 14.297 14.530 ( -9.739 -10.786 -3.160) 14.872 15.196 ( 5.560 7.495 2.654) 9.703 15.239 ( 4.743 3.457 -1.439) 6.043 15.429 ( 9.718 8.046 6.310) 14.107 15.488 ( 4.052 2.747 0.790) 4.959 15.502 ( 1.525 -1.865 2.209) 3.268 15.517 ( 6.515 1.820 1.554) 6.941 15.765 ( 7.557 -1.261 6.833) 10.267 15.896 ( 8.262 -11.026 -3.616) 14.244 22.408 ( -9.698 8.365 -3.471) 13.269 22.412 ( -10.451 9.727 -4.147) 14.867 22.656 ( -8.196 -9.460 1.212) 12.575 22.721 ( -10.916 -13.529 -5.248) 18.159 ======================= Grid point 283 (100/100) ======================= q-point: ( 0.44 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.86e-04 2.86e-04 2.86e-04 2.86e-04 Number of triplets: 284 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -0.711 21.065 -2.808) 21.263 2.690 ( -5.469 11.318 3.415) 13.026 2.786 ( 6.127 -0.297 -13.250) 14.601 2.988 ( -7.997 -14.848 -17.186) 24.079 3.346 ( -0.197 5.932 -3.835) 7.067 3.451 ( -2.625 -0.420 -5.221) 5.859 3.649 ( -17.667 2.576 -18.140) 25.452 3.722 ( -20.208 -5.161 -23.035) 31.075 4.333 ( 3.391 7.887 0.490) 8.599 4.446 ( -5.981 -0.118 -3.010) 6.697 4.525 ( -10.641 -2.552 -12.466) 16.587 4.551 ( -9.775 -4.488 -8.714) 13.843 4.753 ( -6.376 7.442 -2.556) 10.128 4.847 ( -19.645 10.029 -11.279) 24.773 5.002 ( -6.536 -15.534 -1.624) 16.931 5.113 ( -19.796 -15.199 -12.645) 27.978 7.069 ( 4.509 20.306 2.907) 21.003 7.086 ( 3.302 22.167 1.773) 22.481 7.356 ( 8.990 -6.815 5.270) 12.452 7.388 ( 7.183 -6.837 1.859) 10.089 7.537 ( 5.602 0.786 6.616) 8.704 7.614 ( 3.295 -4.061 -0.221) 5.234 7.655 ( -3.108 3.040 4.644) 6.361 7.726 ( -3.978 -2.333 -1.401) 4.820 8.361 ( 6.226 14.808 5.029) 16.833 8.537 ( -8.322 16.170 -10.722) 21.111 8.803 ( 1.737 -20.294 4.119) 20.781 8.996 ( -13.722 -21.335 -11.474) 27.841 9.404 ( 8.818 12.305 -0.299) 15.142 9.435 ( 7.275 12.942 -2.677) 15.086 9.681 ( -4.911 -3.360 2.532) 6.467 9.750 ( -9.819 -7.152 -3.094) 12.535 10.309 ( 13.594 45.406 9.436) 48.327 10.489 ( 7.771 42.792 -6.753) 44.013 10.579 ( 3.320 22.683 13.210) 26.459 10.823 ( 5.550 20.351 -3.646) 21.407 10.905 ( -14.612 2.511 -3.817) 15.310 11.019 ( -13.151 6.452 -9.252) 17.326 11.762 ( 3.935 -11.836 4.935) 13.414 11.809 ( -0.894 -19.556 0.297) 19.579 12.288 ( 4.644 -30.535 2.950) 31.027 12.318 ( 2.137 -24.882 0.125) 24.974 12.568 ( 7.588 -30.025 7.285) 31.814 12.650 ( -0.055 -29.748 -0.391) 29.750 14.056 ( -2.389 16.488 -3.941) 17.120 14.075 ( -4.013 16.072 -5.625) 17.494 14.353 ( -3.870 -12.976 -3.330) 13.945 14.368 ( -5.123 -13.044 -4.644) 14.764 15.294 ( 3.606 9.201 1.485) 9.993 15.314 ( 1.952 8.023 -0.451) 8.270 15.471 ( -1.002 -4.871 1.129) 5.100 15.477 ( -1.298 -4.571 0.525) 4.780 15.630 ( 7.462 13.863 7.347) 17.374 15.688 ( 3.159 14.233 2.354) 14.768 15.903 ( 6.201 -11.222 9.327) 15.855 15.982 ( -0.257 -13.148 2.217) 13.336 22.252 ( -3.967 13.616 -4.871) 14.995 22.260 ( -4.469 12.270 -5.376) 14.122 22.530 ( -3.293 -14.585 -2.834) 15.218 22.547 ( -5.149 -15.787 -4.664) 17.248 =================== 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 3/34020 10.0 157.353 167.096 211.213 0.000 0.000 0.000 3/34020 20.0 32.195 21.420 37.820 0.000 0.000 0.000 3/34020 30.0 17.215 11.700 19.667 0.000 0.000 0.000 3/34020 40.0 11.783 8.107 13.250 0.000 0.000 0.000 3/34020 50.0 8.958 6.258 9.884 0.000 0.000 0.000 3/34020 60.0 7.305 5.189 7.914 0.000 0.000 0.000 3/34020 70.0 6.247 4.511 6.660 0.000 0.000 0.000 3/34020 80.0 5.513 4.046 5.801 0.000 0.000 0.000 3/34020 90.0 4.969 3.702 5.174 0.000 0.000 0.000 3/34020 100.0 4.542 3.432 4.691 0.000 0.000 0.000 3/34020 110.0 4.194 3.210 4.304 0.000 0.000 0.000 3/34020 120.0 3.901 3.021 3.984 0.000 0.000 0.000 3/34020 130.0 3.649 2.856 3.713 0.000 0.000 0.000 3/34020 140.0 3.430 2.709 3.480 0.000 0.000 0.000 3/34020 150.0 3.235 2.577 3.275 0.000 0.000 0.000 3/34020 160.0 3.062 2.458 3.095 0.000 0.000 0.000 3/34020 170.0 2.907 2.348 2.933 0.000 0.000 0.000 3/34020 180.0 2.766 2.248 2.788 0.000 0.000 0.000 3/34020 190.0 2.639 2.156 2.657 0.000 0.000 0.000 3/34020 200.0 2.522 2.070 2.538 0.000 0.000 0.000 3/34020 210.0 2.415 1.991 2.429 0.000 0.000 0.000 3/34020 220.0 2.317 1.917 2.329 0.000 0.000 0.000 3/34020 230.0 2.226 1.848 2.237 0.000 0.000 0.000 3/34020 240.0 2.142 1.784 2.152 0.000 0.000 0.000 3/34020 250.0 2.064 1.724 2.073 0.000 0.000 0.000 3/34020 260.0 1.991 1.667 2.000 0.000 0.000 0.000 3/34020 270.0 1.923 1.614 1.931 0.000 0.000 0.000 3/34020 280.0 1.860 1.564 1.867 0.000 0.000 0.000 3/34020 290.0 1.801 1.517 1.808 0.000 0.000 0.000 3/34020 300.0 1.745 1.473 1.751 0.000 0.000 0.000 3/34020 310.0 1.692 1.431 1.699 0.000 0.000 0.000 3/34020 320.0 1.643 1.391 1.649 0.000 0.000 0.000 3/34020 330.0 1.596 1.353 1.602 0.000 0.000 0.000 3/34020 340.0 1.552 1.318 1.557 0.000 0.000 0.000 3/34020 350.0 1.510 1.284 1.515 0.000 0.000 0.000 3/34020 360.0 1.471 1.251 1.476 0.000 0.000 0.000 3/34020 370.0 1.433 1.220 1.438 0.000 0.000 0.000 3/34020 380.0 1.397 1.191 1.402 0.000 0.000 0.000 3/34020 390.0 1.363 1.163 1.368 0.000 0.000 0.000 3/34020 400.0 1.331 1.136 1.335 0.000 0.000 0.000 3/34020 410.0 1.300 1.111 1.304 0.000 0.000 0.000 3/34020 420.0 1.270 1.086 1.274 0.000 0.000 0.000 3/34020 430.0 1.242 1.063 1.246 0.000 0.000 0.000 3/34020 440.0 1.215 1.040 1.219 0.000 0.000 0.000 3/34020 450.0 1.189 1.019 1.193 0.000 0.000 0.000 3/34020 460.0 1.164 0.998 1.168 0.000 0.000 0.000 3/34020 470.0 1.140 0.978 1.144 0.000 0.000 0.000 3/34020 480.0 1.117 0.959 1.121 0.000 0.000 0.000 3/34020 490.0 1.095 0.940 1.099 0.000 0.000 0.000 3/34020 500.0 1.074 0.922 1.077 0.000 0.000 0.000 3/34020 510.0 1.054 0.905 1.057 0.000 0.000 0.000 3/34020 520.0 1.034 0.889 1.037 0.000 0.000 0.000 3/34020 530.0 1.015 0.873 1.018 0.000 0.000 0.000 3/34020 540.0 0.997 0.857 1.000 0.000 0.000 0.000 3/34020 550.0 0.979 0.843 0.982 0.000 0.000 0.000 3/34020 560.0 0.962 0.828 0.965 0.000 0.000 0.000 3/34020 570.0 0.946 0.814 0.949 0.000 0.000 -0.000 3/34020 580.0 0.930 0.801 0.933 0.000 0.000 -0.000 3/34020 590.0 0.914 0.788 0.917 0.000 0.000 -0.000 3/34020 600.0 0.900 0.775 0.902 0.000 0.000 -0.000 3/34020 610.0 0.885 0.763 0.888 0.000 0.000 -0.000 3/34020 620.0 0.871 0.751 0.874 0.000 0.000 -0.000 3/34020 630.0 0.858 0.740 0.860 0.000 0.000 -0.000 3/34020 640.0 0.845 0.729 0.847 0.000 0.000 -0.000 3/34020 650.0 0.832 0.718 0.835 0.000 0.000 -0.000 3/34020 660.0 0.820 0.707 0.822 0.000 0.000 -0.000 3/34020 670.0 0.808 0.697 0.810 0.000 0.000 -0.000 3/34020 680.0 0.796 0.687 0.798 0.000 0.000 -0.000 3/34020 690.0 0.785 0.677 0.787 0.000 0.000 -0.000 3/34020 700.0 0.774 0.668 0.776 0.000 0.000 -0.000 3/34020 710.0 0.763 0.659 0.765 0.000 0.000 -0.000 3/34020 720.0 0.753 0.650 0.755 0.000 0.000 -0.000 3/34020 730.0 0.742 0.641 0.745 0.000 0.000 -0.000 3/34020 740.0 0.733 0.633 0.735 0.000 0.000 -0.000 3/34020 750.0 0.723 0.625 0.725 0.000 0.000 -0.000 3/34020 760.0 0.714 0.617 0.716 0.000 0.000 -0.000 3/34020 770.0 0.704 0.609 0.707 0.000 0.000 -0.000 3/34020 780.0 0.696 0.601 0.698 0.000 0.000 -0.000 3/34020 790.0 0.687 0.594 0.689 0.000 0.000 -0.000 3/34020 800.0 0.678 0.587 0.681 0.000 0.000 -0.000 3/34020 810.0 0.670 0.580 0.672 0.000 0.000 -0.000 3/34020 820.0 0.662 0.573 0.664 0.000 0.000 -0.000 3/34020 830.0 0.654 0.566 0.656 0.000 0.000 -0.000 3/34020 840.0 0.647 0.559 0.649 0.000 0.000 -0.000 3/34020 850.0 0.639 0.553 0.641 0.000 0.000 -0.000 3/34020 860.0 0.632 0.547 0.634 0.000 0.000 -0.000 3/34020 870.0 0.625 0.540 0.627 0.000 0.000 -0.000 3/34020 880.0 0.618 0.534 0.620 0.000 0.000 -0.000 3/34020 890.0 0.611 0.529 0.613 0.000 0.000 -0.000 3/34020 900.0 0.604 0.523 0.606 0.000 0.000 -0.000 3/34020 910.0 0.597 0.517 0.599 0.000 0.000 -0.000 3/34020 920.0 0.591 0.512 0.593 0.000 0.000 -0.000 3/34020 930.0 0.585 0.506 0.587 0.000 0.000 -0.000 3/34020 940.0 0.579 0.501 0.580 0.000 0.000 -0.000 3/34020 950.0 0.573 0.496 0.574 0.000 0.000 -0.000 3/34020 960.0 0.567 0.491 0.569 0.000 0.000 -0.000 3/34020 970.0 0.561 0.486 0.563 0.000 0.000 -0.000 3/34020 980.0 0.555 0.481 0.557 0.000 0.000 -0.000 3/34020 990.0 0.550 0.476 0.551 0.000 0.000 -0.000 3/34020 1000.0 0.544 0.471 0.546 0.000 0.000 -0.000 3/34020 Thermal conductivity related properties were written into "kappa-m979.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:01:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|