# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/805a64d9-e950-4256-9a41-665e58e268c7/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Ca2SnS4 / Pbam (55) / materials id 866474](https://mdr.nims.go.jp/datasets/0e679d94-44e6-42a3-9f94-1f6f2f68f70f) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-09 04:15:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbam (55)Number of symmetry operations in supercell: 48------------------------------ primitive cell ------------------------------Lattice vectors: a 7.033346400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.225550110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.930022110000000Atomic positions (fractional): *1 Ca 0.90577563618179 0.31546397423599 0.00000000000000 40.078 2 Ca 0.59422436381821 0.81546397423599 0.00000000000000 40.078 3 Ca 0.09422436381821 0.68453602576401 0.00000000000000 40.078 4 Ca 0.40577563618179 0.18453602576401 0.00000000000000 40.078 *5 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 6 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 *7 S 0.12683387036898 0.20633961414318 0.50000000000000 32.065 8 S 0.37316612963102 0.70633961414318 0.50000000000000 32.065 9 S 0.87316612963102 0.79366038585682 0.50000000000000 32.065 10 S 0.62683387036898 0.29366038585682 0.50000000000000 32.065 *11 S 0.76433618650421 0.05288786780847 0.00000000000000 32.065 12 S 0.73566381349579 0.55288786780847 0.00000000000000 32.065 13 S 0.23566381349579 0.94711213219153 0.00000000000000 32.065 14 S 0.26433618650421 0.44711213219153 0.00000000000000 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.033346400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.225550110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.930022110000000Atomic positions (fractional): *1 Ca 0.90577563618179 0.31546397423599 0.00000000000000 40.078 > 1 2 Ca 0.59422436381821 0.81546397423599 0.00000000000000 40.078 > 2 3 Ca 0.09422436381821 0.68453602576401 0.00000000000000 40.078 > 3 4 Ca 0.40577563618179 0.18453602576401 0.00000000000000 40.078 > 4 *5 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 5 6 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 6 *7 S 0.12683387036898 0.20633961414318 0.50000000000000 32.065 > 7 8 S 0.37316612963102 0.70633961414318 0.50000000000000 32.065 > 8 9 S 0.87316612963102 0.79366038585682 0.50000000000000 32.065 > 9 10 S 0.62683387036898 0.29366038585682 0.50000000000000 32.065 > 10 *11 S 0.76433618650421 0.05288786780847 0.00000000000000 32.065 > 11 12 S 0.73566381349579 0.55288786780847 0.00000000000000 32.065 > 12 13 S 0.23566381349579 0.94711213219153 0.00000000000000 32.065 > 13 14 S 0.26433618650421 0.44711213219153 0.00000000000000 32.065 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 14.066692800000002 0.000000000000000 0.000000000000000 b 0.000000000000000 11.225550110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.790066330000000Atomic positions (fractional): *1 Ca 0.45288781809090 0.31546397423599 0.00000000000000 40.078 > 1 2 Ca 0.95288781809090 0.31546397423599 0.00000000000000 40.078 > 1 3 Ca 0.45288781809090 0.31546397423599 0.33333333333333 40.078 > 1 4 Ca 0.95288781809090 0.31546397423599 0.33333333333333 40.078 > 1 5 Ca 0.45288781809090 0.31546397423599 0.66666666666667 40.078 > 1 6 Ca 0.95288781809090 0.31546397423599 0.66666666666667 40.078 > 1 7 Ca 0.29711218190910 0.81546397423599 0.00000000000000 40.078 > 2 8 Ca 0.79711218190910 0.81546397423599 0.00000000000000 40.078 > 2 9 Ca 0.29711218190910 0.81546397423599 0.33333333333333 40.078 > 2 10 Ca 0.79711218190910 0.81546397423599 0.33333333333333 40.078 > 2 11 Ca 0.29711218190910 0.81546397423599 0.66666666666667 40.078 > 2 12 Ca 0.79711218190910 0.81546397423599 0.66666666666667 40.078 > 2 13 Ca 0.04711218190910 0.68453602576401 0.00000000000000 40.078 > 3 14 Ca 0.54711218190910 0.68453602576401 0.00000000000000 40.078 > 3 15 Ca 0.04711218190910 0.68453602576401 0.33333333333333 40.078 > 3 16 Ca 0.54711218190910 0.68453602576401 0.33333333333333 40.078 > 3 17 Ca 0.04711218190910 0.68453602576401 0.66666666666667 40.078 > 3 18 Ca 0.54711218190910 0.68453602576401 0.66666666666667 40.078 > 3 19 Ca 0.20288781809090 0.18453602576401 0.00000000000000 40.078 > 4 20 Ca 0.70288781809090 0.18453602576401 0.00000000000000 40.078 > 4 21 Ca 0.20288781809090 0.18453602576401 0.33333333333333 40.078 > 4 22 Ca 0.70288781809090 0.18453602576401 0.33333333333333 40.078 > 4 23 Ca 0.20288781809090 0.18453602576401 0.66666666666667 40.078 > 4 24 Ca 0.70288781809090 0.18453602576401 0.66666666666667 40.078 > 4 *25 Sn 0.00000000000000 0.00000000000000 0.16666666666667 118.710 > 5 26 Sn 0.50000000000000 0.00000000000000 0.16666666666667 118.710 > 5 27 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 5 28 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 5 29 Sn 0.00000000000000 0.00000000000000 0.83333333333333 118.710 > 5 30 Sn 0.50000000000000 0.00000000000000 0.83333333333333 118.710 > 5 31 Sn 0.25000000000000 0.50000000000000 0.16666666666667 118.710 > 6 32 Sn 0.75000000000000 0.50000000000000 0.16666666666667 118.710 > 6 33 Sn 0.25000000000000 0.50000000000000 0.50000000000000 118.710 > 6 34 Sn 0.75000000000000 0.50000000000000 0.50000000000000 118.710 > 6 35 Sn 0.25000000000000 0.50000000000000 0.83333333333333 118.710 > 6 36 Sn 0.75000000000000 0.50000000000000 0.83333333333333 118.710 > 6 *37 S 0.06341693518449 0.20633961414318 0.16666666666667 32.065 > 7 38 S 0.56341693518449 0.20633961414318 0.16666666666667 32.065 > 7 39 S 0.06341693518449 0.20633961414318 0.50000000000000 32.065 > 7 40 S 0.56341693518449 0.20633961414318 0.50000000000000 32.065 > 7 41 S 0.06341693518449 0.20633961414318 0.83333333333333 32.065 > 7 42 S 0.56341693518449 0.20633961414318 0.83333333333333 32.065 > 7 43 S 0.18658306481551 0.70633961414318 0.16666666666667 32.065 > 8 44 S 0.68658306481551 0.70633961414318 0.16666666666667 32.065 > 8 45 S 0.18658306481551 0.70633961414318 0.50000000000000 32.065 > 8 46 S 0.68658306481551 0.70633961414318 0.50000000000000 32.065 > 8 47 S 0.18658306481551 0.70633961414318 0.83333333333333 32.065 > 8 48 S 0.68658306481551 0.70633961414318 0.83333333333333 32.065 > 8 49 S 0.43658306481551 0.79366038585682 0.16666666666667 32.065 > 9 50 S 0.93658306481551 0.79366038585682 0.16666666666667 32.065 > 9 51 S 0.43658306481551 0.79366038585682 0.50000000000000 32.065 > 9 52 S 0.93658306481551 0.79366038585682 0.50000000000000 32.065 > 9 53 S 0.43658306481551 0.79366038585682 0.83333333333333 32.065 > 9 54 S 0.93658306481551 0.79366038585682 0.83333333333333 32.065 > 9 55 S 0.31341693518449 0.29366038585682 0.16666666666667 32.065 > 10 56 S 0.81341693518449 0.29366038585682 0.16666666666667 32.065 > 10 57 S 0.31341693518449 0.29366038585682 0.50000000000000 32.065 > 10 58 S 0.81341693518449 0.29366038585682 0.50000000000000 32.065 > 10 59 S 0.31341693518449 0.29366038585682 0.83333333333333 32.065 > 10 60 S 0.81341693518449 0.29366038585682 0.83333333333333 32.065 > 10 *61 S 0.38216809325210 0.05288786780847 0.00000000000000 32.065 > 11 62 S 0.88216809325210 0.05288786780847 0.00000000000000 32.065 > 11 63 S 0.38216809325210 0.05288786780847 0.33333333333333 32.065 > 11 64 S 0.88216809325210 0.05288786780847 0.33333333333333 32.065 > 11 65 S 0.38216809325210 0.05288786780847 0.66666666666667 32.065 > 11 66 S 0.88216809325210 0.05288786780847 0.66666666666667 32.065 > 11 67 S 0.36783190674790 0.55288786780847 0.00000000000000 32.065 > 12 68 S 0.86783190674790 0.55288786780847 0.00000000000000 32.065 > 12 69 S 0.36783190674790 0.55288786780847 0.33333333333333 32.065 > 12 70 S 0.86783190674790 0.55288786780847 0.33333333333333 32.065 > 12 71 S 0.36783190674790 0.55288786780847 0.66666666666667 32.065 > 12 72 S 0.86783190674790 0.55288786780847 0.66666666666667 32.065 > 12 73 S 0.11783190674789 0.94711213219153 0.00000000000000 32.065 > 13 74 S 0.61783190674790 0.94711213219153 0.00000000000000 32.065 > 13 75 S 0.11783190674789 0.94711213219153 0.33333333333333 32.065 > 13 76 S 0.61783190674790 0.94711213219153 0.33333333333333 32.065 > 13 77 S 0.11783190674789 0.94711213219153 0.66666666666667 32.065 > 13 78 S 0.61783190674790 0.94711213219153 0.66666666666667 32.065 > 13 79 S 0.13216809325210 0.44711213219153 0.00000000000000 32.065 > 14 80 S 0.63216809325210 0.44711213219153 0.00000000000000 32.065 > 14 81 S 0.13216809325210 0.44711213219153 0.33333333333333 32.065 > 14 82 S 0.63216809325210 0.44711213219153 0.33333333333333 32.065 > 14 83 S 0.13216809325210 0.44711213219153 0.66666666666667 32.065 > 14 84 S 0.63216809325210 0.44711213219153 0.66666666666667 32.065 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.7528372 0.0000000 0.0000000 0.0000000 8.0248414 0.0000000 0.0000000 0.0000000 7.4417946-------------------------- Born effective charges -------------------------- 1 Ca 2.9012318 -0.1860129 0.0000000 -0.6082998 2.3107589 0.0000000 0.0000000 0.0000000 2.1251162 2 Ca 2.9012318 0.1860129 0.0000000 0.6082998 2.3107589 0.0000000 0.0000000 0.0000000 2.1251162 3 Ca 2.9012318 -0.1860129 0.0000000 -0.6082998 2.3107589 0.0000000 0.0000000 0.0000000 2.1251162 4 Ca 2.9012318 0.1860129 0.0000000 0.6082998 2.3107589 0.0000000 0.0000000 0.0000000 2.1251162 5 Sn 3.2491324 0.1356328 0.0000000 -0.6202625 3.6785019 0.0000000 0.0000000 0.0000000 5.5206072 6 Sn 3.2491324 -0.1356328 0.0000000 0.6202625 3.6785019 0.0000000 0.0000000 0.0000000 5.5206072 7 S -2.1033327 0.0187182 0.0000000 0.0931050 -2.1647595 0.0000000 0.0000000 0.0000000 -2.0225180 8 S -2.1033327 -0.0187182 0.0000000 -0.0931050 -2.1647595 0.0000000 0.0000000 0.0000000 -2.0225180 9 S -2.1033327 0.0187182 0.0000000 0.0931050 -2.1647595 0.0000000 0.0000000 0.0000000 -2.0225180 10 S -2.1033327 -0.0187182 0.0000000 -0.0931050 -2.1647595 0.0000000 0.0000000 0.0000000 -2.0225180 11 S -2.4224653 0.1657787 0.0000000 0.4686238 -1.9852504 0.0000000 0.0000000 0.0000000 -2.8629018 12 S -2.4224653 -0.1657787 0.0000000 -0.4686238 -1.9852504 0.0000000 0.0000000 0.0000000 -2.8629018 13 S -2.4224653 0.1657787 0.0000000 0.4686238 -1.9852504 0.0000000 0.0000000 0.0000000 -2.8629018 14 S -2.4224653 -0.1657787 0.0000000 -0.4686238 -1.9852504 0.0000000 0.0000000 0.0000000 -2.8629018----------------------------------------------------------------------------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: 252/252Permutation basis: 5586/5586Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 752Number of blocks in projector: 752Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 198Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 97Use standard eigh solver.Tree of FC basis block matrices:- (752, 732), data: False|-- (97, 97), data: True|-- (97, 97), data: True|-- (120, 116), data: True|-- (120, 116), data: True|-- (120, 116), data: True|-- (198, 190), data: True-----Solver_atoms: 1 -- 84 / 84Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 240 - Time: 0.500Solver_block: 200 / 240 - Time: 0.504Solver_block: 240 / 240 - Time: 0.238Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.256--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 252/252Permutation basis: 5586/5586Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 752Number of blocks in projector: 752Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 198Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 120Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 97Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 97Use standard eigh solver.Tree of FC basis block matrices:- (752, 732), data: False|-- (97, 97), data: True|-- (97, 97), data: True|-- (120, 116), data: True|-- (120, 116), data: True|-- (120, 116), data: True|-- (198, 190), data: TrueMax 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 2026-01-09 04:15:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 04:15:58]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 3]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbam (55)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.033346400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.225550110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.930022110000000Atomic positions (fractional): 1 Ca 0.90577563618179 0.31546397423599 0.00000000000000 40.078 2 Ca 0.59422436381821 0.81546397423599 0.00000000000000 40.078 3 Ca 0.09422436381821 0.68453602576401 0.00000000000000 40.078 4 Ca 0.40577563618179 0.18453602576401 0.00000000000000 40.078 5 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 6 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 7 S 0.12683387036898 0.20633961414318 0.50000000000000 32.065 8 S 0.37316612963102 0.70633961414318 0.50000000000000 32.065 9 S 0.87316612963102 0.79366038585682 0.50000000000000 32.065 10 S 0.62683387036898 0.29366038585682 0.50000000000000 32.065 11 S 0.76433618650421 0.05288786780847 0.00000000000000 32.065 12 S 0.73566381349579 0.55288786780847 0.00000000000000 32.065 13 S 0.23566381349579 0.94711213219153 0.00000000000000 32.065 14 S 0.26433618650421 0.44711213219153 0.00000000000000 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 14.066692800000002 0.000000000000000 0.000000000000000 b 0.000000000000000 11.225550110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.790066330000000Atomic positions (fractional): 1 Ca 0.45288781809090 0.31546397423599 0.00000000000000 40.078 > 1 2 Ca 0.95288781809090 0.31546397423599 0.00000000000000 40.078 > 1 3 Ca 0.45288781809090 0.31546397423599 0.33333333333333 40.078 > 1 4 Ca 0.95288781809090 0.31546397423599 0.33333333333333 40.078 > 1 5 Ca 0.45288781809090 0.31546397423599 0.66666666666667 40.078 > 1 6 Ca 0.95288781809090 0.31546397423599 0.66666666666667 40.078 > 1 7 Ca 0.29711218190910 0.81546397423599 0.00000000000000 40.078 > 7 8 Ca 0.79711218190910 0.81546397423599 0.00000000000000 40.078 > 7 9 Ca 0.29711218190910 0.81546397423599 0.33333333333333 40.078 > 7 10 Ca 0.79711218190910 0.81546397423599 0.33333333333333 40.078 > 7 11 Ca 0.29711218190910 0.81546397423599 0.66666666666667 40.078 > 7 12 Ca 0.79711218190910 0.81546397423599 0.66666666666667 40.078 > 7 13 Ca 0.04711218190910 0.68453602576401 0.00000000000000 40.078 > 13 14 Ca 0.54711218190910 0.68453602576401 0.00000000000000 40.078 > 13 15 Ca 0.04711218190910 0.68453602576401 0.33333333333333 40.078 > 13 16 Ca 0.54711218190910 0.68453602576401 0.33333333333333 40.078 > 13 17 Ca 0.04711218190910 0.68453602576401 0.66666666666667 40.078 > 13 18 Ca 0.54711218190910 0.68453602576401 0.66666666666667 40.078 > 13 19 Ca 0.20288781809090 0.18453602576401 0.00000000000000 40.078 > 19 20 Ca 0.70288781809090 0.18453602576401 0.00000000000000 40.078 > 19 21 Ca 0.20288781809090 0.18453602576401 0.33333333333333 40.078 > 19 22 Ca 0.70288781809090 0.18453602576401 0.33333333333333 40.078 > 19 23 Ca 0.20288781809090 0.18453602576401 0.66666666666667 40.078 > 19 24 Ca 0.70288781809090 0.18453602576401 0.66666666666667 40.078 > 19 25 Sn 0.00000000000000 0.00000000000000 0.16666666666667 118.710 > 25 26 Sn 0.50000000000000 0.00000000000000 0.16666666666667 118.710 > 25 27 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 25 28 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 25 29 Sn 0.00000000000000 0.00000000000000 0.83333333333333 118.710 > 25 30 Sn 0.50000000000000 0.00000000000000 0.83333333333333 118.710 > 25 31 Sn 0.25000000000000 0.50000000000000 0.16666666666667 118.710 > 31 32 Sn 0.75000000000000 0.50000000000000 0.16666666666667 118.710 > 31 33 Sn 0.25000000000000 0.50000000000000 0.50000000000000 118.710 > 31 34 Sn 0.75000000000000 0.50000000000000 0.50000000000000 118.710 > 31 35 Sn 0.25000000000000 0.50000000000000 0.83333333333333 118.710 > 31 36 Sn 0.75000000000000 0.50000000000000 0.83333333333333 118.710 > 31 37 S 0.06341693518449 0.20633961414318 0.16666666666667 32.065 > 37 38 S 0.56341693518449 0.20633961414318 0.16666666666667 32.065 > 37 39 S 0.06341693518449 0.20633961414318 0.50000000000000 32.065 > 37 40 S 0.56341693518449 0.20633961414318 0.50000000000000 32.065 > 37 41 S 0.06341693518449 0.20633961414318 0.83333333333333 32.065 > 37 42 S 0.56341693518449 0.20633961414318 0.83333333333333 32.065 > 37 43 S 0.18658306481551 0.70633961414318 0.16666666666667 32.065 > 43 44 S 0.68658306481551 0.70633961414318 0.16666666666667 32.065 > 43 45 S 0.18658306481551 0.70633961414318 0.50000000000000 32.065 > 43 46 S 0.68658306481551 0.70633961414318 0.50000000000000 32.065 > 43 47 S 0.18658306481551 0.70633961414318 0.83333333333333 32.065 > 43 48 S 0.68658306481551 0.70633961414318 0.83333333333333 32.065 > 43 49 S 0.43658306481551 0.79366038585682 0.16666666666667 32.065 > 49 50 S 0.93658306481551 0.79366038585682 0.16666666666667 32.065 > 49 51 S 0.43658306481551 0.79366038585682 0.50000000000000 32.065 > 49 52 S 0.93658306481551 0.79366038585682 0.50000000000000 32.065 > 49 53 S 0.43658306481551 0.79366038585682 0.83333333333333 32.065 > 49 54 S 0.93658306481551 0.79366038585682 0.83333333333333 32.065 > 49 55 S 0.31341693518449 0.29366038585682 0.16666666666667 32.065 > 55 56 S 0.81341693518449 0.29366038585682 0.16666666666667 32.065 > 55 57 S 0.31341693518449 0.29366038585682 0.50000000000000 32.065 > 55 58 S 0.81341693518449 0.29366038585682 0.50000000000000 32.065 > 55 59 S 0.31341693518449 0.29366038585682 0.83333333333333 32.065 > 55 60 S 0.81341693518449 0.29366038585682 0.83333333333333 32.065 > 55 61 S 0.38216809325210 0.05288786780847 0.00000000000000 32.065 > 61 62 S 0.88216809325210 0.05288786780847 0.00000000000000 32.065 > 61 63 S 0.38216809325210 0.05288786780847 0.33333333333333 32.065 > 61 64 S 0.88216809325210 0.05288786780847 0.33333333333333 32.065 > 61 65 S 0.38216809325210 0.05288786780847 0.66666666666667 32.065 > 61 66 S 0.88216809325210 0.05288786780847 0.66666666666667 32.065 > 61 67 S 0.36783190674790 0.55288786780847 0.00000000000000 32.065 > 67 68 S 0.86783190674790 0.55288786780847 0.00000000000000 32.065 > 67 69 S 0.36783190674790 0.55288786780847 0.33333333333333 32.065 > 67 70 S 0.86783190674790 0.55288786780847 0.33333333333333 32.065 > 67 71 S 0.36783190674790 0.55288786780847 0.66666666666667 32.065 > 67 72 S 0.86783190674790 0.55288786780847 0.66666666666667 32.065 > 67 73 S 0.11783190674789 0.94711213219153 0.00000000000000 32.065 > 73 74 S 0.61783190674790 0.94711213219153 0.00000000000000 32.065 > 73 75 S 0.11783190674789 0.94711213219153 0.33333333333333 32.065 > 73 76 S 0.61783190674790 0.94711213219153 0.33333333333333 32.065 > 73 77 S 0.11783190674789 0.94711213219153 0.66666666666667 32.065 > 73 78 S 0.61783190674790 0.94711213219153 0.66666666666667 32.065 > 73 79 S 0.13216809325210 0.44711213219153 0.00000000000000 32.065 > 79 80 S 0.63216809325210 0.44711213219153 0.00000000000000 32.065 > 79 81 S 0.13216809325210 0.44711213219153 0.33333333333333 32.065 > 79 82 S 0.63216809325210 0.44711213219153 0.33333333333333 32.065 > 79 83 S 0.13216809325210 0.44711213219153 0.66666666666667 32.065 > 79 84 S 0.63216809325210 0.44711213219153 0.66666666666667 32.065 > 79----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.7528372 0.0000000 0.0000000 0.0000000 8.0248414 0.0000000 0.0000000 0.0000000 7.4417946-------------------------- Born effective charges -------------------------- 1 Ca 2.9012318 -0.1860129 0.0000000 -0.6082998 2.3107589 0.0000000 0.0000000 0.0000000 2.1251162 2 Ca 2.9012318 0.1860129 0.0000000 0.6082998 2.3107589 0.0000000 0.0000000 0.0000000 2.1251162 3 Ca 2.9012318 -0.1860129 0.0000000 -0.6082998 2.3107589 0.0000000 0.0000000 0.0000000 2.1251162 4 Ca 2.9012318 0.1860129 0.0000000 0.6082998 2.3107589 0.0000000 0.0000000 0.0000000 2.1251162 5 Sn 3.2491324 0.1356328 0.0000000 -0.6202625 3.6785019 0.0000000 0.0000000 0.0000000 5.5206072 6 Sn 3.2491324 -0.1356328 0.0000000 0.6202625 3.6785019 0.0000000 0.0000000 0.0000000 5.5206072 7 S -2.1033327 0.0187182 0.0000000 0.0931050 -2.1647595 0.0000000 0.0000000 0.0000000 -2.0225180 8 S -2.1033327 -0.0187182 0.0000000 -0.0931050 -2.1647595 0.0000000 0.0000000 0.0000000 -2.0225180 9 S -2.1033327 0.0187182 0.0000000 0.0931050 -2.1647595 0.0000000 0.0000000 0.0000000 -2.0225180 10 S -2.1033327 -0.0187182 0.0000000 -0.0931050 -2.1647595 0.0000000 0.0000000 0.0000000 -2.0225180 11 S -2.4224653 0.1657787 0.0000000 0.4686238 -1.9852504 0.0000000 0.0000000 0.0000000 -2.8629018 12 S -2.4224653 -0.1657787 0.0000000 -0.4686238 -1.9852504 0.0000000 0.0000000 0.0000000 -2.8629018 13 S -2.4224653 0.1657787 0.0000000 0.4686238 -1.9852504 0.0000000 0.0000000 0.0000000 -2.8629018 14 S -2.4224653 -0.1657787 0.0000000 -0.4686238 -1.9852504 0.0000000 0.0000000 0.0000000 -2.8629018----------------------------------------------------------------------------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[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 61, 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: -0.00000000 (xzz) -0.00000000 (xzz) -0.00000000 (xzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 04:16:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 04:16:07]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 3]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbam (55)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.033346400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.225550110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 3.930022110000000Atomic positions (fractional): 1 Ca 0.90577563618179 0.31546397423599 0.00000000000000 40.078 2 Ca 0.59422436381821 0.81546397423599 0.00000000000000 40.078 3 Ca 0.09422436381821 0.68453602576401 0.00000000000000 40.078 4 Ca 0.40577563618179 0.18453602576401 0.00000000000000 40.078 5 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 6 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 7 S 0.12683387036898 0.20633961414318 0.50000000000000 32.065 8 S 0.37316612963102 0.70633961414318 0.50000000000000 32.065 9 S 0.87316612963102 0.79366038585682 0.50000000000000 32.065 10 S 0.62683387036898 0.29366038585682 0.50000000000000 32.065 11 S 0.76433618650421 0.05288786780847 0.00000000000000 32.065 12 S 0.73566381349579 0.55288786780847 0.00000000000000 32.065 13 S 0.23566381349579 0.94711213219153 0.00000000000000 32.065 14 S 0.26433618650421 0.44711213219153 0.00000000000000 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 14.066692800000002 0.000000000000000 0.000000000000000 b 0.000000000000000 11.225550110000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.790066330000000Atomic positions (fractional): 1 Ca 0.45288781809090 0.31546397423599 0.00000000000000 40.078 > 1 2 Ca 0.95288781809090 0.31546397423599 0.00000000000000 40.078 > 1 3 Ca 0.45288781809090 0.31546397423599 0.33333333333333 40.078 > 1 4 Ca 0.95288781809090 0.31546397423599 0.33333333333333 40.078 > 1 5 Ca 0.45288781809090 0.31546397423599 0.66666666666667 40.078 > 1 6 Ca 0.95288781809090 0.31546397423599 0.66666666666667 40.078 > 1 7 Ca 0.29711218190910 0.81546397423599 0.00000000000000 40.078 > 7 8 Ca 0.79711218190910 0.81546397423599 0.00000000000000 40.078 > 7 9 Ca 0.29711218190910 0.81546397423599 0.33333333333333 40.078 > 7 10 Ca 0.79711218190910 0.81546397423599 0.33333333333333 40.078 > 7 11 Ca 0.29711218190910 0.81546397423599 0.66666666666667 40.078 > 7 12 Ca 0.79711218190910 0.81546397423599 0.66666666666667 40.078 > 7 13 Ca 0.04711218190910 0.68453602576401 0.00000000000000 40.078 > 13 14 Ca 0.54711218190910 0.68453602576401 0.00000000000000 40.078 > 13 15 Ca 0.04711218190910 0.68453602576401 0.33333333333333 40.078 > 13 16 Ca 0.54711218190910 0.68453602576401 0.33333333333333 40.078 > 13 17 Ca 0.04711218190910 0.68453602576401 0.66666666666667 40.078 > 13 18 Ca 0.54711218190910 0.68453602576401 0.66666666666667 40.078 > 13 19 Ca 0.20288781809090 0.18453602576401 0.00000000000000 40.078 > 19 20 Ca 0.70288781809090 0.18453602576401 0.00000000000000 40.078 > 19 21 Ca 0.20288781809090 0.18453602576401 0.33333333333333 40.078 > 19 22 Ca 0.70288781809090 0.18453602576401 0.33333333333333 40.078 > 19 23 Ca 0.20288781809090 0.18453602576401 0.66666666666667 40.078 > 19 24 Ca 0.70288781809090 0.18453602576401 0.66666666666667 40.078 > 19 25 Sn 0.00000000000000 0.00000000000000 0.16666666666667 118.710 > 25 26 Sn 0.50000000000000 0.00000000000000 0.16666666666667 118.710 > 25 27 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 25 28 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 25 29 Sn 0.00000000000000 0.00000000000000 0.83333333333333 118.710 > 25 30 Sn 0.50000000000000 0.00000000000000 0.83333333333333 118.710 > 25 31 Sn 0.25000000000000 0.50000000000000 0.16666666666667 118.710 > 31 32 Sn 0.75000000000000 0.50000000000000 0.16666666666667 118.710 > 31 33 Sn 0.25000000000000 0.50000000000000 0.50000000000000 118.710 > 31 34 Sn 0.75000000000000 0.50000000000000 0.50000000000000 118.710 > 31 35 Sn 0.25000000000000 0.50000000000000 0.83333333333333 118.710 > 31 36 Sn 0.75000000000000 0.50000000000000 0.83333333333333 118.710 > 31 37 S 0.06341693518449 0.20633961414318 0.16666666666667 32.065 > 37 38 S 0.56341693518449 0.20633961414318 0.16666666666667 32.065 > 37 39 S 0.06341693518449 0.20633961414318 0.50000000000000 32.065 > 37 40 S 0.56341693518449 0.20633961414318 0.50000000000000 32.065 > 37 41 S 0.06341693518449 0.20633961414318 0.83333333333333 32.065 > 37 42 S 0.56341693518449 0.20633961414318 0.83333333333333 32.065 > 37 43 S 0.18658306481551 0.70633961414318 0.16666666666667 32.065 > 43 44 S 0.68658306481551 0.70633961414318 0.16666666666667 32.065 > 43 45 S 0.18658306481551 0.70633961414318 0.50000000000000 32.065 > 43 46 S 0.68658306481551 0.70633961414318 0.50000000000000 32.065 > 43 47 S 0.18658306481551 0.70633961414318 0.83333333333333 32.065 > 43 48 S 0.68658306481551 0.70633961414318 0.83333333333333 32.065 > 43 49 S 0.43658306481551 0.79366038585682 0.16666666666667 32.065 > 49 50 S 0.93658306481551 0.79366038585682 0.16666666666667 32.065 > 49 51 S 0.43658306481551 0.79366038585682 0.50000000000000 32.065 > 49 52 S 0.93658306481551 0.79366038585682 0.50000000000000 32.065 > 49 53 S 0.43658306481551 0.79366038585682 0.83333333333333 32.065 > 49 54 S 0.93658306481551 0.79366038585682 0.83333333333333 32.065 > 49 55 S 0.31341693518449 0.29366038585682 0.16666666666667 32.065 > 55 56 S 0.81341693518449 0.29366038585682 0.16666666666667 32.065 > 55 57 S 0.31341693518449 0.29366038585682 0.50000000000000 32.065 > 55 58 S 0.81341693518449 0.29366038585682 0.50000000000000 32.065 > 55 59 S 0.31341693518449 0.29366038585682 0.83333333333333 32.065 > 55 60 S 0.81341693518449 0.29366038585682 0.83333333333333 32.065 > 55 61 S 0.38216809325210 0.05288786780847 0.00000000000000 32.065 > 61 62 S 0.88216809325210 0.05288786780847 0.00000000000000 32.065 > 61 63 S 0.38216809325210 0.05288786780847 0.33333333333333 32.065 > 61 64 S 0.88216809325210 0.05288786780847 0.33333333333333 32.065 > 61 65 S 0.38216809325210 0.05288786780847 0.66666666666667 32.065 > 61 66 S 0.88216809325210 0.05288786780847 0.66666666666667 32.065 > 61 67 S 0.36783190674790 0.55288786780847 0.00000000000000 32.065 > 67 68 S 0.86783190674790 0.55288786780847 0.00000000000000 32.065 > 67 69 S 0.36783190674790 0.55288786780847 0.33333333333333 32.065 > 67 70 S 0.86783190674790 0.55288786780847 0.33333333333333 32.065 > 67 71 S 0.36783190674790 0.55288786780847 0.66666666666667 32.065 > 67 72 S 0.86783190674790 0.55288786780847 0.66666666666667 32.065 > 67 73 S 0.11783190674789 0.94711213219153 0.00000000000000 32.065 > 73 74 S 0.61783190674790 0.94711213219153 0.00000000000000 32.065 > 73 75 S 0.11783190674789 0.94711213219153 0.33333333333333 32.065 > 73 76 S 0.61783190674790 0.94711213219153 0.33333333333333 32.065 > 73 77 S 0.11783190674789 0.94711213219153 0.66666666666667 32.065 > 73 78 S 0.61783190674790 0.94711213219153 0.66666666666667 32.065 > 73 79 S 0.13216809325210 0.44711213219153 0.00000000000000 32.065 > 79 80 S 0.63216809325210 0.44711213219153 0.00000000000000 32.065 > 79 81 S 0.13216809325210 0.44711213219153 0.33333333333333 32.065 > 79 82 S 0.63216809325210 0.44711213219153 0.33333333333333 32.065 > 79 83 S 0.13216809325210 0.44711213219153 0.66666666666667 32.065 > 79 84 S 0.63216809325210 0.44711213219153 0.66666666666667 32.065 > 79----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 6.7528372 0.0000000 0.0000000 0.0000000 8.0248414 0.0000000 0.0000000 0.0000000 7.4417946-------------------------- Born effective charges -------------------------- 1 Ca 2.9012318 -0.1860129 0.0000000 -0.6082998 2.3107589 0.0000000 0.0000000 0.0000000 2.1251162 2 Ca 2.9012318 0.1860129 0.0000000 0.6082998 2.3107589 0.0000000 0.0000000 0.0000000 2.1251162 3 Ca 2.9012318 -0.1860129 0.0000000 -0.6082998 2.3107589 0.0000000 0.0000000 0.0000000 2.1251162 4 Ca 2.9012318 0.1860129 0.0000000 0.6082998 2.3107589 0.0000000 0.0000000 0.0000000 2.1251162 5 Sn 3.2491324 0.1356328 0.0000000 -0.6202625 3.6785019 0.0000000 0.0000000 0.0000000 5.5206072 6 Sn 3.2491324 -0.1356328 0.0000000 0.6202625 3.6785019 0.0000000 0.0000000 0.0000000 5.5206072 7 S -2.1033327 0.0187182 0.0000000 0.0931050 -2.1647595 0.0000000 0.0000000 0.0000000 -2.0225180 8 S -2.1033327 -0.0187182 0.0000000 -0.0931050 -2.1647595 0.0000000 0.0000000 0.0000000 -2.0225180 9 S -2.1033327 0.0187182 0.0000000 0.0931050 -2.1647595 0.0000000 0.0000000 0.0000000 -2.0225180 10 S -2.1033327 -0.0187182 0.0000000 -0.0931050 -2.1647595 0.0000000 0.0000000 0.0000000 -2.0225180 11 S -2.4224653 0.1657787 0.0000000 0.4686238 -1.9852504 0.0000000 0.0000000 0.0000000 -2.8629018 12 S -2.4224653 -0.1657787 0.0000000 -0.4686238 -1.9852504 0.0000000 0.0000000 0.0000000 -2.8629018 13 S -2.4224653 0.1657787 0.0000000 0.4686238 -1.9852504 0.0000000 0.0000000 0.0000000 -2.8629018 14 S -2.4224653 -0.1657787 0.0000000 -0.4686238 -1.9852504 0.0000000 0.0000000 0.0000000 -2.8629018----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (xzz) -0.00000000 (xzz) -0.00000000 (xzz)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 7 4 13 ]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: 0.61, Number of G-points: 313, Lambda: 0.17Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/84) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.791 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.956 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.194 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.351 ( 0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 0.000) 0.000 5.669 ( 0.000 0.000 0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 6.170 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 8.010 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.477 ( 0.000 0.000 0.000) 0.000 8.978 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 9.758 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/84) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( 29.374 0.000 0.000) 29.374 0.632 ( 28.819 0.000 0.000) 28.819 1.119 ( 52.869 0.000 0.000) 52.869 1.769 ( -2.165 0.000 0.000) 2.165 2.374 ( -2.306 0.000 0.000) 2.306 2.435 ( 9.381 0.000 0.000) 9.381 2.519 ( -9.417 0.000 0.000) 9.417 2.552 ( 14.563 0.000 0.000) 14.563 2.893 ( -5.894 0.000 0.000) 5.894 3.629 ( -6.913 0.000 0.000) 6.913 3.925 ( -4.565 0.000 0.000) 4.565 3.949 ( -8.331 0.000 0.000) 8.331 4.292 ( 6.445 0.000 0.000) 6.445 4.995 ( -16.906 0.000 0.000) 16.906 5.031 ( 13.434 0.000 0.000) 13.434 5.103 ( -21.344 0.000 0.000) 21.344 5.211 ( 3.276 0.000 0.000) 3.276 5.241 ( 4.361 0.000 0.000) 4.361 5.317 ( 3.781 0.000 0.000) 3.781 5.367 ( 2.419 0.000 0.000) 2.419 5.659 ( 1.285 0.000 0.000) 1.285 5.675 ( -1.338 0.000 0.000) 1.338 5.675 ( 0.153 0.000 0.000) 0.153 6.425 ( -3.334 0.000 0.000) 3.334 6.835 ( -18.965 0.000 0.000) 18.965 6.841 ( 15.028 0.000 0.000) 15.028 6.993 ( 0.346 0.000 0.000) 0.346 7.065 ( 4.508 0.000 0.000) 4.508 7.079 ( 11.235 0.000 0.000) 11.235 7.461 ( -19.596 0.000 0.000) 19.596 7.789 ( -0.483 0.000 0.000) 0.483 8.094 ( 6.706 0.000 0.000) 6.706 8.102 ( -3.967 0.000 0.000) 3.967 8.198 ( -2.387 0.000 0.000) 2.387 8.214 ( -3.956 0.000 0.000) 3.956 8.285 ( 6.339 0.000 0.000) 6.339 8.696 ( 14.764 0.000 0.000) 14.764 9.001 ( 2.689 0.000 0.000) 2.689 9.019 ( -1.303 0.000 0.000) 1.303 9.500 ( 4.667 0.000 0.000) 4.667 9.730 ( -1.546 0.000 0.000) 1.546 10.171 ( -1.945 0.000 0.000) 1.945======================= Grid point 2 (3/84) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 19.551 0.000 0.000) 19.551 1.188 ( 28.192 0.000 0.000) 28.192 1.705 ( -4.078 0.000 0.000) 4.078 2.030 ( 29.390 0.000 0.000) 29.390 2.307 ( -3.699 0.000 0.000) 3.699 2.460 ( 2.993 0.000 0.000) 2.993 2.711 ( -3.740 0.000 0.000) 3.740 2.742 ( 21.052 0.000 0.000) 21.052 2.951 ( 23.722 0.000 0.000) 23.722 3.350 ( -14.277 0.000 0.000) 14.277 3.648 ( -16.848 0.000 0.000) 16.848 3.892 ( -2.838 0.000 0.000) 2.838 4.531 ( -28.258 0.000 0.000) 28.258 4.596 ( -26.302 0.000 0.000) 26.302 4.680 ( 26.160 0.000 0.000) 26.160 5.233 ( 5.339 0.000 0.000) 5.339 5.306 ( 5.606 0.000 0.000) 5.606 5.356 ( 6.434 0.000 0.000) 6.434 5.375 ( -2.716 0.000 0.000) 2.716 5.406 ( 5.335 0.000 0.000) 5.335 5.632 ( -2.837 0.000 0.000) 2.837 5.665 ( -1.414 0.000 0.000) 1.414 5.674 ( -0.193 0.000 0.000) 0.193 6.384 ( -24.227 0.000 0.000) 24.227 6.391 ( 0.678 0.000 0.000) 0.678 6.879 ( -14.478 0.000 0.000) 14.478 7.140 ( 2.446 0.000 0.000) 2.446 7.172 ( -3.943 0.000 0.000) 3.943 7.180 ( 17.135 0.000 0.000) 17.135 7.354 ( 14.718 0.000 0.000) 14.718 7.821 ( 3.508 0.000 0.000) 3.508 7.981 ( -7.896 0.000 0.000) 7.896 8.094 ( -7.729 0.000 0.000) 7.729 8.117 ( -4.870 0.000 0.000) 4.870 8.238 ( 6.828 0.000 0.000) 6.828 8.397 ( 3.114 0.000 0.000) 3.114 8.940 ( 7.613 0.000 0.000) 7.613 8.994 ( -0.749 0.000 0.000) 0.749 9.108 ( 8.590 0.000 0.000) 8.590 9.643 ( 8.995 0.000 0.000) 8.995 9.670 ( -4.654 0.000 0.000) 4.654 10.111 ( -4.103 0.000 0.000) 4.103======================= Grid point 3 (4/84) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( 10.869 0.000 0.000) 10.869 1.601 ( -6.388 0.000 0.000) 6.388 1.736 ( 25.501 0.000 0.000) 25.501 2.200 ( -16.856 0.000 0.000) 16.856 2.258 ( -0.619 0.000 0.000) 0.619 2.265 ( -2.229 0.000 0.000) 2.229 3.053 ( 12.528 0.000 0.000) 12.528 3.269 ( 29.727 0.000 0.000) 29.727 3.303 ( -15.660 0.000 0.000) 15.660 3.322 ( 20.136 0.000 0.000) 20.136 3.479 ( 27.554 0.000 0.000) 27.554 3.744 ( -14.075 0.000 0.000) 14.075 3.906 ( -32.023 0.000 0.000) 32.023 4.046 ( -27.826 0.000 0.000) 27.826 5.167 ( 11.674 0.000 0.000) 11.674 5.271 ( -5.566 0.000 0.000) 5.566 5.344 ( 17.012 0.000 0.000) 17.012 5.422 ( 5.399 0.000 0.000) 5.399 5.471 ( 3.224 0.000 0.000) 3.224 5.535 ( 6.524 0.000 0.000) 6.524 5.572 ( -1.824 0.000 0.000) 1.824 5.615 ( -3.414 0.000 0.000) 3.414 5.637 ( -3.768 0.000 0.000) 3.768 5.866 ( -26.640 0.000 0.000) 26.640 6.450 ( 4.850 0.000 0.000) 4.850 6.597 ( -10.446 0.000 0.000) 10.446 7.163 ( 0.530 0.000 0.000) 0.530 7.166 ( 0.376 0.000 0.000) 0.376 7.510 ( 15.026 0.000 0.000) 15.026 7.648 ( 13.778 0.000 0.000) 13.778 7.782 ( -11.681 0.000 0.000) 11.681 7.902 ( -11.119 0.000 0.000) 11.119 7.912 ( 5.016 0.000 0.000) 5.016 8.015 ( -5.053 0.000 0.000) 5.053 8.353 ( 4.317 0.000 0.000) 4.317 8.411 ( -1.318 0.000 0.000) 1.318 8.995 ( 0.738 0.000 0.000) 0.738 9.006 ( 0.341 0.000 0.000) 0.341 9.327 ( 11.395 0.000 0.000) 11.395 9.535 ( -8.635 0.000 0.000) 8.635 9.836 ( 9.292 0.000 0.000) 9.292 10.001 ( -6.752 0.000 0.000) 6.752======================= Grid point 7 (5/84) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.654 ( 0.000 29.440 0.000) 29.440 0.684 ( 0.000 29.210 0.000) 29.210 1.120 ( 0.000 48.048 0.000) 48.048 1.658 ( 0.000 -11.975 0.000) 11.975 1.950 ( 0.000 -27.718 0.000) 27.718 2.347 ( 0.000 0.356 0.000) 0.356 2.382 ( 0.000 -1.078 0.000) 1.078 2.705 ( 0.000 -17.348 0.000) 17.348 3.083 ( 0.000 19.405 0.000) 19.405 3.556 ( 0.000 1.305 0.000) 1.305 3.808 ( 0.000 -11.416 0.000) 11.416 3.943 ( 0.000 -11.875 0.000) 11.875 4.514 ( 0.000 8.597 0.000) 8.597 4.738 ( 0.000 -1.529 0.000) 1.529 5.160 ( 0.000 0.506 0.000) 0.506 5.188 ( 0.000 -0.485 0.000) 0.485 5.223 ( 0.000 1.887 0.000) 1.887 5.285 ( 0.000 1.132 0.000) 1.132 5.328 ( 0.000 -1.892 0.000) 1.892 5.349 ( 0.000 0.306 0.000) 0.306 5.672 ( 0.000 0.249 0.000) 0.249 5.686 ( 0.000 -0.254 0.000) 0.254 6.088 ( 0.000 0.752 0.000) 0.752 6.150 ( 0.000 -1.544 0.000) 1.544 6.705 ( 0.000 3.710 0.000) 3.710 6.911 ( 0.000 -3.597 0.000) 3.597 7.087 ( 0.000 2.732 0.000) 2.732 7.107 ( 0.000 6.478 0.000) 6.478 7.445 ( 0.000 3.203 0.000) 3.203 7.700 ( 0.000 -0.506 0.000) 0.506 7.863 ( 0.000 1.387 0.000) 1.387 7.878 ( 0.000 3.327 0.000) 3.327 7.999 ( 0.000 -1.150 0.000) 1.150 8.160 ( 0.000 1.509 0.000) 1.509 8.239 ( 0.000 -1.281 0.000) 1.281 8.271 ( 0.000 -0.970 0.000) 0.970 8.371 ( 0.000 -5.508 0.000) 5.508 8.645 ( 0.000 -7.244 0.000) 7.244 8.953 ( 0.000 -0.617 0.000) 0.617 9.020 ( 0.000 -1.423 0.000) 1.423 9.832 ( 0.000 5.201 0.000) 5.201 9.984 ( 0.000 -1.079 0.000) 1.079======================= Grid point 8 (6/84) =======================q-point: ( 0.14 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.800 ( 17.068 19.195 0.000) 25.686 0.907 ( 17.568 19.807 0.000) 26.476 1.603 ( 36.495 33.286 0.000) 49.395 1.665 ( 0.180 -9.459 0.000) 9.461 1.921 ( -0.899 -25.663 0.000) 25.678 2.444 ( 9.868 0.820 0.000) 9.902 2.522 ( 13.597 -2.242 0.000) 13.781 2.731 ( 0.081 -2.985 0.000) 2.986 2.940 ( -9.917 10.106 0.000) 14.159 3.520 ( -12.855 -8.728 0.000) 15.538 3.716 ( 1.556 -9.021 0.000) 9.154 3.905 ( -7.959 -6.772 0.000) 10.450 4.477 ( 3.541 11.552 0.000) 12.083 4.892 ( 11.423 -7.506 0.000) 13.668 5.011 ( -17.297 1.361 0.000) 17.351 5.086 ( -20.245 -1.355 0.000) 20.290 5.217 ( 3.354 0.526 0.000) 3.395 5.240 ( 3.795 -0.183 0.000) 3.800 5.328 ( 3.537 1.971 0.000) 4.049 5.413 ( 4.139 1.477 0.000) 4.395 5.672 ( -0.637 -0.074 0.000) 0.642 5.676 ( -0.664 -0.073 0.000) 0.668 5.899 ( -6.705 10.847 0.000) 12.753 6.258 ( 1.857 -8.900 0.000) 9.092 6.875 ( 14.393 2.923 0.000) 14.686 6.906 ( -12.900 5.158 0.000) 13.893 7.043 ( 11.712 -3.036 0.000) 12.100 7.148 ( -6.197 6.784 0.000) 9.188 7.291 ( -6.330 11.062 0.000) 12.746 7.478 ( -14.698 7.302 0.000) 16.411 7.736 ( -1.367 -4.731 0.000) 4.925 7.992 ( 0.156 -7.616 0.000) 7.617 8.120 ( -3.954 1.515 0.000) 4.234 8.125 ( 6.369 -3.656 0.000) 7.344 8.199 ( -3.950 -1.276 0.000) 4.151 8.409 ( 11.978 4.854 0.000) 12.924 8.452 ( 9.626 -12.398 0.000) 15.696 8.911 ( 6.588 -10.296 0.000) 12.224 8.991 ( 3.959 0.284 0.000) 3.969 9.162 ( 14.209 -10.842 0.000) 17.873 9.830 ( -0.054 6.039 0.000) 6.039 10.034 ( 3.226 -4.178 0.000) 5.278======================= Grid point 9 (7/84) =======================q-point: ( 0.29 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( 24.223 7.029 0.000) 25.222 1.249 ( 14.242 9.459 0.000) 17.097 1.649 ( -1.871 -5.124 0.000) 5.454 1.944 ( 4.419 -18.823 0.000) 19.334 2.313 ( 21.627 18.414 0.000) 28.404 2.671 ( -2.854 9.004 0.000) 9.446 2.764 ( 21.661 1.949 0.000) 21.749 2.769 ( -3.132 4.656 0.000) 5.611 2.911 ( 23.675 -3.286 0.000) 23.902 3.188 ( -15.047 -12.442 0.000) 19.525 3.646 ( -12.733 -1.018 0.000) 12.774 3.810 ( 3.718 -6.937 0.000) 7.870 4.543 ( -27.987 0.962 0.000) 28.004 4.589 ( -26.594 -0.666 0.000) 26.602 4.734 ( 19.682 5.872 0.000) 20.539 5.127 ( 10.722 -8.303 0.000) 13.561 5.314 ( 5.658 0.659 0.000) 5.697 5.349 ( 6.238 -0.574 0.000) 6.264 5.361 ( -1.113 1.191 0.000) 1.630 5.444 ( -1.552 1.176 0.000) 1.947 5.636 ( -2.590 0.295 0.000) 2.607 5.659 ( -1.595 -0.490 0.000) 1.668 5.809 ( -3.594 8.823 0.000) 9.527 6.257 ( -4.160 -8.942 0.000) 9.863 6.538 ( -17.250 9.951 0.000) 19.914 6.873 ( -18.164 -2.722 0.000) 18.367 7.204 ( 16.748 2.051 0.000) 16.873 7.223 ( 0.483 9.193 0.000) 9.206 7.326 ( 15.017 -2.302 0.000) 15.192 7.335 ( -2.934 11.917 0.000) 12.273 7.769 ( 3.992 -4.635 0.000) 6.117 7.980 ( -1.440 -9.289 0.000) 9.400 8.000 ( -7.819 1.565 0.000) 7.974 8.080 ( -7.724 -1.269 0.000) 7.827 8.249 ( 6.787 0.809 0.000) 6.835 8.526 ( 1.756 7.444 0.000) 7.648 8.710 ( 10.716 -14.378 0.000) 17.932 8.950 ( 0.049 -4.480 0.000) 4.481 9.117 ( 7.779 1.022 0.000) 7.846 9.388 ( 6.882 -12.822 0.000) 14.552 9.839 ( 1.393 7.275 0.000) 7.407 10.062 ( -0.721 -3.292 0.000) 3.370======================= Grid point 10 (8/84) =======================q-point: ( 0.43 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.469 ( 7.844 2.993 0.000) 8.396 1.587 ( -4.223 -1.272 0.000) 4.410 1.721 ( 21.242 0.136 0.000) 21.243 2.001 ( -3.247 -10.920 0.000) 11.393 2.365 ( -1.617 10.487 0.000) 10.610 2.474 ( -11.087 10.459 0.000) 15.242 2.937 ( 3.403 -9.229 0.000) 9.836 3.035 ( -3.370 -13.044 0.000) 13.472 3.296 ( 29.637 2.378 0.000) 29.732 3.445 ( 28.062 -2.873 0.000) 28.209 3.573 ( 11.119 11.685 0.000) 16.130 3.813 ( -6.008 3.269 0.000) 6.840 3.927 ( -31.467 1.828 0.000) 31.520 4.027 ( -28.528 -1.691 0.000) 28.578 5.158 ( 15.491 0.106 0.000) 15.491 5.255 ( 0.215 -0.899 0.000) 0.925 5.323 ( 3.224 -0.752 0.000) 3.311 5.429 ( 5.137 0.558 0.000) 5.167 5.452 ( 3.633 -5.172 0.000) 6.320 5.463 ( 3.628 -0.664 0.000) 3.689 5.577 ( -2.148 0.506 0.000) 2.207 5.608 ( -3.246 -0.566 0.000) 3.295 5.709 ( -4.577 4.445 0.000) 6.380 5.918 ( -21.907 0.591 0.000) 21.915 6.456 ( 3.586 1.710 0.000) 3.973 6.580 ( -9.496 -1.524 0.000) 9.617 7.250 ( 1.598 7.897 0.000) 8.058 7.286 ( -2.014 8.661 0.000) 8.892 7.527 ( 14.611 1.454 0.000) 14.683 7.621 ( 13.043 -2.058 0.000) 13.204 7.807 ( -10.678 1.861 0.000) 10.839 7.862 ( 4.454 -4.383 0.000) 6.249 7.888 ( -10.968 -1.207 0.000) 11.035 7.937 ( -2.878 -6.314 0.000) 6.939 8.391 ( 6.695 3.886 0.000) 7.741 8.502 ( -3.800 6.959 0.000) 7.929 8.857 ( 4.804 -11.360 0.000) 12.334 8.929 ( -2.306 -6.792 0.000) 7.173 9.294 ( 8.713 -0.900 0.000) 8.760 9.425 ( -3.137 -6.761 0.000) 7.454 9.906 ( 5.032 4.253 0.000) 6.589 10.009 ( -4.288 -0.074 0.000) 4.289======================= Grid point 14 (9/84) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( 0.000 -22.521 0.000) 22.521 1.268 ( 0.000 22.521 0.000) 22.521 1.310 ( 0.000 -29.326 0.000) 29.326 1.310 ( 0.000 29.326 0.000) 29.326 2.085 ( 0.000 -37.151 0.000) 37.151 2.085 ( 0.000 37.151 0.000) 37.151 2.360 ( 0.000 -0.808 0.000) 0.808 2.360 ( 0.000 0.808 0.000) 0.808 3.467 ( 0.000 -14.664 0.000) 14.664 3.467 ( 0.000 14.664 0.000) 14.664 3.706 ( 0.000 -7.875 0.000) 7.875 3.706 ( 0.000 7.875 0.000) 7.875 4.671 ( 0.000 -4.971 0.000) 4.971 4.671 ( 0.000 4.971 0.000) 4.971 5.175 ( 0.000 -0.698 0.000) 0.698 5.175 ( 0.000 0.698 0.000) 0.698 5.275 ( 0.000 -2.605 0.000) 2.605 5.275 ( 0.000 2.605 0.000) 2.605 5.324 ( 0.000 -2.071 0.000) 2.071 5.324 ( 0.000 2.071 0.000) 2.071 5.679 ( 0.000 -0.374 0.000) 0.374 5.679 ( 0.000 0.374 0.000) 0.374 6.113 ( 0.000 -1.502 0.000) 1.502 6.113 ( 0.000 1.502 0.000) 1.502 6.808 ( 0.000 -5.122 0.000) 5.122 6.808 ( 0.000 5.122 0.000) 5.122 7.156 ( 0.000 -2.100 0.000) 2.100 7.156 ( 0.000 2.100 0.000) 2.100 7.592 ( 0.000 -7.906 0.000) 7.906 7.592 ( 0.000 7.906 0.000) 7.906 7.945 ( 0.000 -3.777 0.000) 3.777 7.945 ( 0.000 3.777 0.000) 3.777 8.038 ( 0.000 -11.403 0.000) 11.403 8.038 ( 0.000 11.403 0.000) 11.403 8.201 ( 0.000 -1.953 0.000) 1.953 8.201 ( 0.000 1.953 0.000) 1.953 8.462 ( 0.000 -7.975 0.000) 7.975 8.462 ( 0.000 7.975 0.000) 7.975 8.975 ( 0.000 -2.136 0.000) 2.136 8.975 ( 0.000 2.136 0.000) 2.136 9.935 ( 0.000 -3.487 0.000) 3.487 9.935 ( 0.000 3.487 0.000) 3.487======================= Grid point 16 (10/84) =======================q-point: ( 0.14 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.330 ( 4.423 -26.243 0.000) 26.613 1.330 ( 4.423 26.243 0.000) 26.613 1.351 ( 6.778 -18.139 0.000) 19.364 1.351 ( 6.778 18.139 0.000) 19.364 2.339 ( 20.676 -28.632 0.000) 35.317 2.339 ( 20.676 28.632 0.000) 35.317 2.473 ( 11.439 -1.871 0.000) 11.591 2.473 ( 11.439 1.871 0.000) 11.591 3.235 ( -16.990 -13.888 0.000) 21.944 3.235 ( -16.990 13.888 0.000) 21.944 3.727 ( -2.401 -6.842 0.000) 7.252 3.727 ( -2.401 6.842 0.000) 7.252 4.713 ( 5.774 -9.159 0.000) 10.827 4.713 ( 5.774 9.159 0.000) 10.827 5.049 ( -18.459 -1.861 0.000) 18.553 5.049 ( -18.459 1.861 0.000) 18.553 5.231 ( 3.372 -0.594 0.000) 3.424 5.231 ( 3.372 0.594 0.000) 3.424 5.392 ( 4.491 -2.885 0.000) 5.337 5.392 ( 4.491 2.885 0.000) 5.337 5.673 ( -0.710 -0.130 0.000) 0.721 5.673 ( -0.710 0.130 0.000) 0.721 6.085 ( -2.274 -7.156 0.000) 7.508 6.085 ( -2.274 7.156 0.000) 7.508 6.958 ( 12.975 -4.186 0.000) 13.633 6.958 ( 12.975 4.186 0.000) 13.633 7.071 ( -10.714 -8.471 0.000) 13.658 7.071 ( -10.714 8.471 0.000) 13.658 7.557 ( -3.028 -11.228 0.000) 11.629 7.557 ( -3.028 11.228 0.000) 11.629 7.765 ( -7.815 -12.622 0.000) 14.846 7.765 ( -7.815 12.622 0.000) 14.846 8.154 ( 8.773 -7.219 0.000) 11.361 8.154 ( 8.773 7.219 0.000) 11.361 8.161 ( -3.943 -1.951 0.000) 4.399 8.161 ( -3.943 1.951 0.000) 4.399 8.652 ( 11.635 -11.521 0.000) 16.374 8.652 ( 11.635 11.521 0.000) 16.374 9.033 ( 5.319 -3.364 0.000) 6.293 9.033 ( 5.319 3.364 0.000) 6.293 9.950 ( 1.273 -4.336 0.000) 4.519 9.950 ( 1.273 4.336 0.000) 4.519======================= Grid point 18 (11/84) =======================q-point: ( 0.29 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( 4.830 -9.819 0.000) 10.942 1.479 ( 4.830 9.819 0.000) 10.942 1.523 ( 13.532 -17.059 0.000) 21.774 1.523 ( 13.532 17.059 0.000) 21.774 2.715 ( 10.489 -10.490 0.000) 14.834 2.715 ( 10.489 10.490 0.000) 14.834 2.828 ( 22.953 -3.640 0.000) 23.239 2.828 ( 22.953 3.640 0.000) 23.239 2.893 ( -14.475 -8.924 0.000) 17.004 2.893 ( -14.475 8.924 0.000) 17.004 3.661 ( 0.408 -4.144 0.000) 4.164 3.661 ( 0.408 4.144 0.000) 4.164 4.568 ( -27.300 -1.134 0.000) 27.324 4.568 ( -27.300 1.134 0.000) 27.324 4.919 ( 13.662 -9.612 0.000) 16.705 4.919 ( 13.662 9.612 0.000) 16.705 5.332 ( 5.874 -0.895 0.000) 5.942 5.332 ( 5.874 0.895 0.000) 5.942 5.418 ( -2.591 -2.850 0.000) 3.851 5.418 ( -2.591 2.850 0.000) 3.851 5.646 ( -2.058 -0.585 0.000) 2.140 5.646 ( -2.058 0.585 0.000) 2.140 6.030 ( -4.336 -10.685 0.000) 11.531 6.030 ( -4.336 10.685 0.000) 11.531 6.747 ( -17.215 -7.985 0.000) 18.977 6.747 ( -17.215 7.985 0.000) 18.977 7.263 ( 15.843 -3.038 0.000) 16.132 7.263 ( 15.843 3.038 0.000) 16.132 7.467 ( -4.215 -7.819 0.000) 8.883 7.467 ( -4.215 7.819 0.000) 8.883 7.748 ( 2.909 -9.185 0.000) 9.634 7.748 ( 2.909 9.185 0.000) 9.634 8.042 ( -7.735 -1.966 0.000) 7.981 8.042 ( -7.735 1.966 0.000) 7.981 8.350 ( 9.962 -9.646 0.000) 13.867 8.350 ( 9.962 9.646 0.000) 13.867 8.791 ( 1.432 -9.513 0.000) 9.620 8.791 ( 1.432 9.513 0.000) 9.620 9.178 ( 8.290 -5.407 0.000) 9.897 9.178 ( 8.290 5.407 0.000) 9.897 9.974 ( 0.865 -4.852 0.000) 4.928 9.974 ( 0.865 4.852 0.000) 4.928======================= Grid point 20 (12/84) =======================q-point: ( 0.43 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.540 ( 1.392 -2.932 0.000) 3.246 1.540 ( 1.392 2.932 0.000) 3.246 1.794 ( 9.912 -6.717 0.000) 11.974 1.794 ( 9.912 6.717 0.000) 11.974 2.625 ( -7.203 -8.129 0.000) 10.861 2.625 ( -7.204 8.129 0.000) 10.861 2.774 ( -3.615 -6.684 0.000) 7.599 2.774 ( -3.615 6.684 0.000) 7.599 3.367 ( 29.075 -3.712 0.000) 29.311 3.367 ( 29.075 3.712 0.000) 29.311 3.788 ( 7.309 -6.136 0.000) 9.543 3.788 ( 7.309 6.136 0.000) 9.543 3.978 ( -30.084 -2.477 0.000) 30.185 3.978 ( -30.084 2.477 0.000) 30.185 5.205 ( 10.113 -3.432 0.000) 10.679 5.205 ( 10.113 3.432 0.000) 10.679 5.350 ( 0.145 -3.387 0.000) 3.390 5.350 ( 0.145 3.387 0.000) 3.390 5.445 ( 4.448 -0.863 0.000) 4.531 5.445 ( 4.448 0.863 0.000) 4.531 5.592 ( -2.769 -0.760 0.000) 2.872 5.592 ( -2.769 0.760 0.000) 2.872 5.833 ( -13.123 -6.375 0.000) 14.590 5.833 ( -13.123 6.375 0.000) 14.590 6.526 ( -3.979 -3.374 0.000) 5.217 6.526 ( -3.979 3.374 0.000) 5.217 7.412 ( -1.321 -2.032 0.000) 2.424 7.412 ( -1.321 2.032 0.000) 2.424 7.570 ( 13.613 -2.278 0.000) 13.803 7.570 ( 13.613 2.278 0.000) 13.803 7.799 ( 1.517 -2.641 0.000) 3.046 7.799 ( 1.517 2.641 0.000) 3.046 7.852 ( -10.607 -1.965 0.000) 10.788 7.852 ( -10.607 1.965 0.000) 10.788 8.539 ( 7.770 -8.445 0.000) 11.475 8.539 ( 7.770 8.445 0.000) 11.475 8.743 ( -4.629 -7.604 0.000) 8.902 8.743 ( -4.629 7.604 0.000) 8.902 9.316 ( 4.026 -2.841 0.000) 4.927 9.316 ( 4.026 2.841 0.000) 4.927 9.982 ( 0.020 -2.347 0.000) 2.347 9.982 ( 0.020 2.347 0.000) 2.347======================= Grid point 35 (13/84) =======================q-point: ( 0.00 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.586 ( 0.000 0.000 30.183) 30.183 0.652 ( 0.000 0.000 32.754) 32.754 1.042 ( 0.000 0.000 51.903) 51.903 1.920 ( 0.000 0.000 11.900) 11.900 2.378 ( 0.000 0.000 -1.578) 1.578 2.415 ( 0.000 0.000 1.024) 1.024 2.715 ( 0.000 0.000 15.460) 15.460 2.883 ( 0.000 0.000 19.777) 19.777 3.016 ( 0.000 0.000 10.342) 10.342 3.640 ( 0.000 0.000 11.515) 11.515 3.944 ( 0.000 0.000 -0.262) 0.262 4.027 ( 0.000 0.000 -3.408) 3.408 4.355 ( 0.000 0.000 -0.294) 0.294 4.716 ( 0.000 0.000 -3.715) 3.715 5.207 ( 0.000 0.000 0.389) 0.389 5.229 ( 0.000 0.000 6.789) 6.789 5.276 ( 0.000 0.000 0.387) 0.387 5.277 ( 0.000 0.000 7.708) 7.708 5.327 ( 0.000 0.000 -2.770) 2.770 5.341 ( 0.000 0.000 0.686) 0.686 5.569 ( 0.000 0.000 -6.203) 6.203 5.743 ( 0.000 0.000 6.792) 6.792 6.086 ( 0.000 0.000 -7.857) 7.857 6.628 ( 0.000 0.000 -19.306) 19.306 6.672 ( 0.000 0.000 -0.334) 0.334 6.936 ( 0.000 0.000 -3.945) 3.945 6.955 ( 0.000 0.000 -2.939) 2.939 7.264 ( 0.000 0.000 9.339) 9.339 7.341 ( 0.000 0.000 15.147) 15.147 7.547 ( 0.000 0.000 -11.083) 11.083 7.697 ( 0.000 0.000 -0.414) 0.414 7.825 ( 0.000 0.000 -4.041) 4.041 7.968 ( 0.000 0.000 -4.302) 4.302 8.206 ( 0.000 0.000 0.349) 0.349 8.244 ( 0.000 0.000 0.996) 0.996 8.288 ( 0.000 0.000 11.453) 11.453 8.451 ( 0.000 0.000 -2.490) 2.490 8.970 ( 0.000 0.000 -0.783) 0.783 9.012 ( 0.000 0.000 -2.267) 2.267 9.445 ( 0.000 0.000 -0.835) 0.835 9.740 ( 0.000 0.000 -1.730) 1.730 9.789 ( 0.000 0.000 -2.854) 2.854======================= Grid point 36 (14/84) =======================q-point: ( 0.14 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( 21.454 0.000 18.705) 28.463 0.875 ( 18.950 0.000 23.174) 29.936 1.503 ( 33.927 0.000 32.355) 46.881 1.887 ( -2.507 0.000 10.495) 10.790 2.391 ( 0.329 0.000 2.282) 2.306 2.497 ( 4.796 0.000 -0.824) 4.866 2.670 ( -3.054 0.000 13.657) 13.994 2.781 ( 3.188 0.000 25.855) 26.051 2.994 ( -4.076 0.000 7.163) 8.241 3.665 ( -7.400 0.000 7.914) 10.835 3.888 ( -5.785 0.000 -2.914) 6.478 3.916 ( -9.496 0.000 -2.996) 9.958 4.330 ( 11.140 0.000 5.015) 12.217 4.949 ( 13.858 0.000 -4.674) 14.625 4.985 ( -17.955 0.000 -1.470) 18.015 5.132 ( -16.887 0.000 1.079) 16.921 5.289 ( 4.099 0.000 7.955) 8.949 5.302 ( 2.273 0.000 0.246) 2.286 5.339 ( 5.469 0.000 6.544) 8.528 5.378 ( 1.586 0.000 1.399) 2.115 5.603 ( 2.272 0.000 -4.928) 5.426 5.718 ( -1.393 0.000 4.128) 4.357 6.050 ( -4.939 0.000 9.179) 10.423 6.464 ( -18.697 0.000 8.064) 20.362 6.621 ( -2.332 0.000 -14.364) 14.552 6.840 ( 10.082 0.000 -2.920) 10.497 6.992 ( 4.502 0.000 -0.663) 4.551 7.124 ( 1.318 0.000 6.460) 6.593 7.252 ( -2.975 0.000 11.951) 12.316 7.473 ( -17.729 0.000 2.277) 17.875 7.663 ( 0.727 0.000 -10.507) 10.532 8.035 ( 6.097 0.000 -4.968) 7.865 8.149 ( 8.813 0.000 -5.804) 10.552 8.222 ( -2.209 0.000 2.391) 3.255 8.246 ( -3.950 0.000 10.910) 11.603 8.275 ( 5.620 0.000 -0.772) 5.673 8.640 ( 13.599 0.000 -5.498) 14.669 8.990 ( 2.082 0.000 -1.116) 2.362 8.996 ( -1.441 0.000 -2.337) 2.745 9.485 ( 3.934 0.000 -1.446) 4.191 9.690 ( -2.844 0.000 -4.562) 5.376 9.892 ( 3.992 0.000 -14.860) 15.386======================= Grid point 37 (15/84) =======================q-point: ( 0.29 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( 20.842 0.000 12.954) 24.540 1.319 ( 23.211 0.000 12.581) 26.402 1.846 ( -1.200 0.000 12.252) 12.311 2.102 ( 18.887 0.000 9.828) 21.291 2.358 ( -3.565 0.000 6.087) 7.054 2.507 ( -1.907 0.000 3.394) 3.893 2.671 ( 2.067 0.000 2.229) 3.040 3.053 ( 14.777 0.000 16.864) 22.422 3.071 ( 21.558 0.000 16.296) 27.024 3.399 ( -11.057 0.000 6.299) 12.725 3.618 ( -16.784 0.000 -2.848) 17.024 3.783 ( -7.344 0.000 -8.332) 11.107 4.552 ( -23.427 0.000 -0.092) 23.427 4.701 ( -23.730 0.000 8.930) 25.355 4.772 ( 26.853 0.000 10.011) 28.658 5.176 ( 8.399 0.000 -3.463) 9.085 5.331 ( 0.421 0.000 -2.740) 2.772 5.359 ( -1.942 0.000 1.443) 2.420 5.402 ( 3.911 0.000 6.480) 7.569 5.477 ( 7.429 0.000 6.264) 9.718 5.623 ( -0.506 0.000 -1.834) 1.903 5.707 ( 0.270 0.000 1.413) 1.438 5.898 ( -7.590 0.000 19.869) 21.270 6.339 ( 1.395 0.000 -4.083) 4.315 6.396 ( -18.506 0.000 0.993) 18.532 6.856 ( -9.393 0.000 -1.982) 9.600 7.120 ( -2.711 0.000 -3.982) 4.817 7.154 ( 0.838 0.000 2.072) 2.235 7.275 ( 12.655 0.000 7.953) 14.947 7.365 ( 10.382 0.000 1.034) 10.433 7.694 ( 2.250 0.000 -9.819) 10.074 8.093 ( -7.076 0.000 8.296) 10.904 8.148 ( -4.193 0.000 2.918) 5.109 8.172 ( -1.346 0.000 2.320) 2.683 8.198 ( 3.074 0.000 -0.254) 3.085 8.367 ( 2.159 0.000 -2.680) 3.441 8.892 ( 9.551 0.000 -5.509) 11.026 8.967 ( -1.026 0.000 -2.779) 2.962 9.062 ( 5.715 0.000 -4.056) 7.008 9.601 ( 7.186 0.000 -3.730) 8.096 9.607 ( -5.584 0.000 -7.443) 9.304 9.919 ( -0.808 0.000 -15.157) 15.179======================= Grid point 38 (16/84) =======================q-point: ( 0.43 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 11.791 0.000 15.479) 19.458 1.717 ( 6.982 0.000 8.757) 11.200 1.877 ( 11.217 0.000 14.943) 18.684 2.216 ( -11.001 0.000 2.823) 11.357 2.290 ( -1.688 0.000 4.242) 4.566 2.302 ( -5.289 0.000 4.229) 6.772 3.005 ( 18.644 0.000 -1.936) 18.744 3.153 ( 7.288 0.000 -1.649) 7.472 3.276 ( -15.359 0.000 -2.327) 15.534 3.530 ( -18.477 0.000 -10.453) 21.228 3.562 ( 23.004 0.000 6.585) 23.928 3.672 ( 29.726 0.000 22.816) 37.472 4.060 ( -24.876 0.000 2.533) 25.004 4.218 ( -23.979 0.000 17.957) 29.958 5.195 ( 4.080 0.000 1.657) 4.404 5.257 ( -5.305 0.000 -1.087) 5.415 5.333 ( 11.743 0.000 -2.180) 11.943 5.435 ( 15.742 0.000 2.696) 15.971 5.450 ( -1.592 0.000 0.234) 1.609 5.617 ( 6.327 0.000 6.510) 9.078 5.623 ( 0.853 0.000 5.114) 5.184 5.709 ( -0.065 0.000 4.398) 4.398 5.771 ( -5.153 0.000 15.739) 16.561 5.954 ( -23.775 0.000 8.862) 25.373 6.423 ( 6.293 0.000 -2.100) 6.634 6.600 ( -11.495 0.000 0.561) 11.508 7.126 ( 1.714 0.000 -2.837) 3.315 7.153 ( -0.777 0.000 -0.557) 0.956 7.580 ( 12.400 0.000 -3.399) 12.858 7.602 ( 13.282 0.000 5.272) 14.290 7.715 ( -1.751 0.000 -9.896) 10.050 7.883 ( -12.588 0.000 8.623) 15.258 8.076 ( -2.268 0.000 5.251) 5.720 8.087 ( -3.584 0.000 8.512) 9.235 8.304 ( 4.467 0.000 -4.583) 6.399 8.367 ( -1.721 0.000 -4.081) 4.429 8.964 ( 0.711 0.000 -3.146) 3.225 8.977 ( 0.275 0.000 -3.059) 3.071 9.249 ( 11.052 0.000 -8.302) 13.823 9.458 ( -9.045 0.000 -8.661) 12.523 9.752 ( 7.003 0.000 -7.480) 10.247 9.868 ( -4.205 0.000 -11.530) 12.273======================= Grid point 42 (17/84) =======================q-point: ( 0.00 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( 0.000 20.137 18.112) 27.084 0.873 ( 0.000 21.502 19.571) 29.075 1.546 ( 0.000 32.880 34.850) 47.912 1.769 ( 0.000 -13.147 9.824) 16.412 2.001 ( 0.000 -24.495 4.940) 24.988 2.394 ( 0.000 -2.296 2.735) 3.571 2.602 ( 0.000 -4.214 21.090) 21.507 2.926 ( 0.000 -9.901 17.493) 20.101 3.180 ( 0.000 17.539 11.195) 20.807 3.599 ( 0.000 -1.442 6.605) 6.760 3.819 ( 0.000 -9.848 2.025) 10.054 3.905 ( 0.000 -10.141 -3.300) 10.665 4.466 ( 0.000 7.973 -2.482) 8.351 4.691 ( 0.000 -2.018 -4.333) 4.780 5.222 ( 0.000 -0.151 3.978) 3.980 5.224 ( 0.000 0.917 0.941) 1.314 5.275 ( 0.000 0.471 6.896) 6.912 5.284 ( 0.000 0.960 1.589) 1.856 5.348 ( 0.000 0.218 0.963) 0.987 5.364 ( 0.000 0.559 1.579) 1.675 5.687 ( 0.000 7.590 -6.530) 10.013 5.761 ( 0.000 1.634 8.020) 8.185 6.051 ( 0.000 -2.727 -9.104) 9.503 6.250 ( 0.000 -20.565 12.948) 24.301 6.668 ( 0.000 3.201 -16.898) 17.198 6.723 ( 0.000 0.113 -1.109) 1.114 7.184 ( 0.000 -2.360 4.621) 5.189 7.228 ( 0.000 -6.062 5.538) 8.211 7.379 ( 0.000 15.585 -3.492) 15.972 7.673 ( 0.000 6.392 -1.474) 6.560 7.781 ( 0.000 3.390 -3.863) 5.140 7.832 ( 0.000 1.044 -3.136) 3.305 7.956 ( 0.000 -0.930 -4.102) 4.206 8.141 ( 0.000 -6.824 -0.162) 6.826 8.228 ( 0.000 0.966 -0.330) 1.021 8.355 ( 0.000 -6.627 -1.057) 6.711 8.392 ( 0.000 5.302 9.163) 10.586 8.845 ( 0.000 -15.831 7.450) 17.496 8.943 ( 0.000 -0.608 -0.997) 1.168 9.057 ( 0.000 -5.899 4.648) 7.510 9.817 ( 0.000 5.431 -1.446) 5.621 9.951 ( 0.000 1.861 -3.031) 3.557======================= Grid point 43 (18/84) =======================q-point: ( 0.14 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.003 ( 14.262 13.510 18.477) 26.969 1.064 ( 16.252 18.381 14.476) 28.488 1.760 ( 0.466 -10.142 8.848) 13.467 1.833 ( 21.674 21.117 20.732) 36.681 2.028 ( 3.036 -20.081 11.048) 23.120 2.480 ( 8.037 -3.538 -1.082) 8.847 2.690 ( 9.320 -0.215 20.479) 22.501 2.946 ( -0.630 4.470 18.257) 18.807 3.019 ( -8.087 6.675 7.065) 12.644 3.547 ( -15.289 -10.337 3.811) 18.845 3.738 ( 2.974 -7.053 3.784) 8.539 3.871 ( -8.139 -5.344 -2.359) 10.018 4.468 ( 6.825 9.480 0.508) 11.693 4.848 ( 10.738 -6.955 -3.537) 13.273 5.022 ( -17.523 2.892 0.042) 17.760 5.133 ( -16.126 -0.690 2.458) 16.327 5.280 ( 2.824 0.098 5.151) 5.875 5.310 ( 3.816 -1.021 6.100) 7.268 5.333 ( 3.198 2.196 2.113) 4.418 5.427 ( 3.883 1.297 1.817) 4.479 5.701 ( 0.961 6.370 -4.272) 7.730 5.737 ( -1.486 1.718 5.857) 6.282 6.011 ( -5.441 -2.825 7.695) 9.839 6.202 ( -1.768 -12.998 -0.482) 13.126 6.689 ( -0.314 5.567 -13.571) 14.672 6.869 ( 10.884 -0.187 -4.505) 11.781 7.073 ( 0.727 1.147 1.828) 2.278 7.238 ( -7.783 1.936 4.296) 9.099 7.369 ( 2.518 13.266 4.485) 14.228 7.460 ( -16.044 3.473 2.118) 16.552 7.662 ( -3.537 -0.756 -5.736) 6.781 7.970 ( 2.440 -6.275 -1.777) 6.964 8.070 ( 8.690 -4.101 -3.780) 10.326 8.162 ( 1.690 -2.215 0.287) 2.801 8.257 ( -0.311 0.248 5.212) 5.227 8.418 ( 4.351 8.890 1.728) 10.047 8.468 ( 7.578 -12.324 0.137) 14.468 8.899 ( 3.052 -9.710 -1.094) 10.237 8.974 ( 3.136 0.034 -1.679) 3.557 9.151 ( 8.215 -11.513 -0.907) 14.173 9.807 ( -0.841 6.179 -2.272) 6.637 9.959 ( 0.490 1.044 -6.160) 6.267======================= Grid point 44 (19/84) =======================q-point: ( 0.29 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.375 ( 20.486 7.116 12.742) 25.153 1.408 ( 15.641 9.343 13.839) 22.879 1.779 ( 1.467 -5.825 11.233) 12.738 2.039 ( 3.372 -14.660 10.341) 18.255 2.324 ( 15.599 11.521 4.645) 19.941 2.616 ( 0.664 2.614 -3.783) 4.646 2.730 ( -2.877 4.548 3.887) 6.638 3.068 ( 8.901 1.710 13.289) 16.085 3.113 ( 21.620 3.263 21.674) 30.787 3.210 ( -12.256 -12.863 3.500) 18.108 3.621 ( -12.815 -0.488 -2.012) 12.981 3.773 ( -0.057 -2.684 -1.467) 3.059 4.579 ( -23.616 1.923 1.634) 23.750 4.675 ( -21.967 -2.087 7.898) 23.436 4.793 ( 19.463 3.481 6.436) 20.793 5.101 ( 10.729 -6.396 -1.821) 12.623 5.322 ( -0.671 1.060 -1.710) 2.121 5.387 ( 1.117 -0.713 2.264) 2.624 5.410 ( 4.356 0.998 6.912) 8.231 5.479 ( 2.839 0.640 4.476) 5.339 5.677 ( -2.685 3.178 1.404) 4.391 5.741 ( 0.618 2.698 3.279) 4.291 5.868 ( -6.605 -0.507 11.048) 12.882 6.212 ( 0.241 -9.028 -3.769) 9.786 6.526 ( -13.703 8.882 -1.057) 16.364 6.853 ( -13.806 -2.847 -1.879) 14.221 7.189 ( 5.077 5.390 -0.916) 7.461 7.230 ( 0.330 5.665 -2.477) 6.192 7.298 ( 10.817 0.797 2.745) 11.189 7.417 ( 4.801 6.733 5.119) 9.726 7.667 ( 2.709 -2.095 -7.990) 8.693 7.999 ( 0.115 -8.572 2.281) 8.871 8.105 ( -6.596 1.014 7.944) 10.375 8.172 ( -3.051 -1.412 6.079) 6.947 8.217 ( 3.241 0.446 -1.908) 3.787 8.480 ( 0.764 6.581 -4.445) 7.979 8.677 ( 10.135 -13.251 -3.505) 17.047 8.921 ( -0.171 -4.673 -2.924) 5.515 9.072 ( 5.988 0.891 -4.243) 7.392 9.307 ( 5.514 -12.706 -7.961) 15.976 9.796 ( 0.302 7.174 -4.107) 8.272 9.956 ( -1.033 0.826 -9.122) 9.218======================= Grid point 45 (20/84) =======================q-point: ( 0.43 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( 8.854 3.669 16.449) 19.038 1.744 ( 4.666 2.236 11.487) 12.598 1.832 ( 12.211 -2.676 13.449) 18.362 2.076 ( -3.937 -9.477 7.992) 13.007 2.370 ( -0.849 10.404 1.353) 10.526 2.485 ( -9.635 9.185 1.573) 13.405 2.906 ( 7.962 -7.735 -2.108) 11.299 2.986 ( -2.383 -12.104 -1.328) 12.408 3.319 ( 4.050 1.970 -0.956) 4.605 3.428 ( 10.431 -3.503 -5.395) 12.255 3.702 ( 2.891 5.651 5.320) 8.282 3.740 ( 15.996 4.349 13.749) 21.536 4.092 ( -21.500 3.066 6.499) 22.669 4.224 ( -20.126 -0.006 16.360) 25.936 5.192 ( 9.478 -0.363 3.159) 9.998 5.242 ( -0.410 -0.352 -0.911) 1.059 5.313 ( 6.261 -1.452 -1.460) 6.591 5.391 ( 6.427 -2.792 -0.058) 7.008 5.468 ( -0.011 1.381 2.251) 2.641 5.571 ( 2.706 -3.089 5.753) 7.069 5.634 ( -0.577 0.926 4.582) 4.710 5.695 ( -5.367 -2.234 10.777) 12.245 5.794 ( 1.437 4.480 7.336) 8.716 6.012 ( -17.342 0.174 9.479) 19.764 6.424 ( 3.867 1.583 -2.645) 4.945 6.572 ( -10.905 -2.370 -0.195) 11.162 7.219 ( 1.533 7.454 -2.749) 8.092 7.247 ( -0.923 7.019 -2.214) 7.417 7.564 ( 10.943 -1.287 -4.952) 12.080 7.612 ( 11.239 -0.021 4.316) 12.039 7.710 ( 1.083 0.784 -6.057) 6.202 7.902 ( -11.818 1.766 8.510) 14.670 8.000 ( 0.276 -6.163 5.800) 8.468 8.057 ( -5.447 -3.218 9.402) 11.333 8.340 ( 6.429 3.645 -4.962) 8.902 8.448 ( -3.768 6.459 -5.337) 9.187 8.823 ( 4.878 -11.489 -3.654) 13.006 8.897 ( -2.438 -7.030 -3.360) 8.164 9.216 ( 7.578 -0.825 -7.706) 10.839 9.334 ( -2.968 -6.884 -9.266) 11.918 9.837 ( 3.542 4.934 -6.424) 8.841 9.912 ( -3.234 2.027 -8.684) 9.486======================= Grid point 49 (21/84) =======================q-point: ( 0.00 -0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.348 ( 0.000 -14.114 7.958) 16.203 1.348 ( 0.000 14.114 7.958) 16.203 1.435 ( 0.000 -18.033 11.344) 21.304 1.435 ( 0.000 18.033 11.344) 21.304 2.205 ( 0.000 -20.112 12.858) 23.871 2.205 ( 0.000 20.112 12.858) 23.871 2.633 ( 0.000 -9.183 23.822) 25.531 2.633 ( 0.000 9.183 23.822) 25.531 3.530 ( 0.000 -12.970 7.522) 14.994 3.530 ( 0.000 12.970 7.522) 14.994 3.691 ( 0.000 -6.718 -1.136) 6.814 3.691 ( 0.000 6.718 -1.136) 6.814 4.618 ( 0.000 -4.974 -4.341) 6.602 4.618 ( 0.000 4.974 -4.341) 6.602 5.227 ( 0.000 -0.374 2.833) 2.858 5.227 ( 0.000 0.374 2.833) 2.858 5.298 ( 0.000 -0.563 4.104) 4.142 5.298 ( 0.000 0.563 4.104) 4.142 5.349 ( 0.000 -0.867 2.205) 2.369 5.349 ( 0.000 0.867 2.205) 2.369 5.793 ( 0.000 -0.516 6.517) 6.537 5.793 ( 0.000 0.516 6.517) 6.537 6.013 ( 0.000 -1.920 -5.603) 5.923 6.013 ( 0.000 1.920 -5.603) 5.923 6.726 ( 0.000 -1.009 -8.984) 9.041 6.726 ( 0.000 1.009 -8.984) 9.041 7.148 ( 0.000 -0.468 -0.280) 0.546 7.148 ( 0.000 0.468 -0.280) 0.546 7.688 ( 0.000 -7.269 8.317) 11.046 7.688 ( 0.000 7.269 8.317) 11.046 7.865 ( 0.000 -2.986 -8.912) 9.399 7.865 ( 0.000 2.986 -8.912) 9.399 7.940 ( 0.000 -3.839 -4.149) 5.653 7.940 ( 0.000 3.839 -4.149) 5.653 8.249 ( 0.000 -1.804 1.505) 2.349 8.249 ( 0.000 1.804 1.505) 2.349 8.559 ( 0.000 -9.781 7.703) 12.450 8.559 ( 0.000 9.781 7.703) 12.450 8.974 ( 0.000 -2.897 -0.093) 2.899 8.974 ( 0.000 2.897 -0.093) 2.899 9.924 ( 0.000 -3.460 -1.145) 3.645 9.924 ( 0.000 3.460 -1.145) 3.645======================= Grid point 51 (22/84) =======================q-point: ( 0.14 -0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.390 ( 5.533 -17.156 8.424) 19.898 1.390 ( 5.533 17.156 8.424) 19.898 1.538 ( 8.045 -19.270 14.176) 25.239 1.538 ( 8.045 19.270 14.176) 25.239 2.313 ( 9.952 -13.898 4.585) 17.699 2.313 ( 9.952 13.898 4.585) 17.699 2.796 ( 14.487 -10.081 23.316) 29.243 2.796 ( 14.487 10.081 23.316) 29.243 3.278 ( -16.953 -12.159 5.241) 21.511 3.278 ( -16.953 12.159 5.241) 21.511 3.727 ( -2.539 -5.207 1.028) 5.883 3.727 ( -2.539 5.207 1.028) 5.883 4.676 ( 6.790 -8.577 -2.653) 11.256 4.676 ( 6.790 8.577 -2.653) 11.256 5.092 ( -16.713 -2.871 2.673) 17.167 5.092 ( -16.713 2.871 2.673) 17.167 5.291 ( 3.182 -0.710 5.384) 6.294 5.291 ( 3.182 0.710 5.384) 6.294 5.399 ( 4.084 -3.082 1.620) 5.367 5.399 ( 4.084 3.082 1.620) 5.367 5.779 ( -1.125 -0.672 7.436) 7.551 5.779 ( -1.125 0.672 7.436) 7.551 6.005 ( -0.905 -4.431 -5.323) 6.985 6.005 ( -0.905 4.431 -5.323) 6.985 6.820 ( 5.488 -4.731 -10.664) 12.892 6.820 ( 5.488 4.731 -10.664) 12.892 7.134 ( -0.476 -5.356 3.005) 6.160 7.134 ( -0.476 5.356 3.005) 6.160 7.597 ( -10.897 -5.422 0.720) 12.193 7.597 ( -10.897 5.422 0.720) 12.193 7.734 ( -1.034 -14.925 0.943) 14.990 7.734 ( -1.034 14.925 0.943) 14.990 8.072 ( 8.033 -4.163 -4.468) 10.091 8.072 ( 8.033 4.163 -4.468) 10.091 8.282 ( -0.545 -3.179 5.726) 6.572 8.282 ( -0.545 3.179 5.726) 6.572 8.644 ( 7.498 -11.247 0.043) 13.517 8.644 ( 7.498 11.247 0.043) 13.517 9.014 ( 3.658 -3.427 -1.781) 5.319 9.014 ( 3.658 3.427 -1.781) 5.319 9.924 ( -0.032 -3.765 -2.507) 4.524 9.924 ( -0.032 3.765 -2.507) 4.524======================= Grid point 53 (23/84) =======================q-point: ( 0.29 -0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.574 ( 11.181 -8.279 9.339) 16.756 1.574 ( 11.181 8.279 9.339) 16.756 1.701 ( 7.727 -12.431 16.337) 21.935 1.701 ( 7.727 12.431 16.337) 21.935 2.576 ( 13.895 -7.014 -5.037) 16.359 2.576 ( 13.895 7.014 -5.037) 16.359 2.891 ( -14.100 -11.481 3.335) 18.487 2.891 ( -14.100 11.481 3.335) 18.487 3.147 ( 10.192 -1.751 18.438) 21.140 3.147 ( 10.192 1.751 18.438) 21.140 3.662 ( 1.352 -5.106 1.738) 5.561 3.662 ( 1.352 5.106 1.738) 5.561 4.625 ( -22.901 -2.234 4.491) 23.444 4.625 ( -22.901 2.234 4.491) 23.444 4.931 ( 12.981 -7.864 1.681) 15.270 4.931 ( 12.981 7.864 1.681) 15.270 5.358 ( 0.874 -1.616 0.703) 1.967 5.358 ( 0.874 1.616 0.703) 1.967 5.452 ( 2.234 -2.382 5.097) 6.053 5.452 ( 2.234 2.382 5.097) 6.053 5.737 ( -3.387 -2.300 8.045) 9.027 5.737 ( -3.387 2.300 8.045) 9.027 5.992 ( -0.661 -9.705 -3.019) 10.185 5.992 ( -0.661 9.705 -3.019) 10.185 6.722 ( -13.329 -8.004 -2.210) 15.704 6.722 ( -13.329 8.004 -2.210) 15.704 7.259 ( 10.903 -2.004 -0.287) 11.089 7.259 ( 10.903 2.004 -0.287) 11.089 7.442 ( -2.381 -8.020 -3.014) 8.893 7.442 ( -2.381 8.020 -3.014) 8.893 7.764 ( 2.551 -11.607 2.670) 12.180 7.764 ( 2.551 11.607 2.670) 12.180 8.136 ( -5.403 -1.667 7.270) 9.210 8.136 ( -5.403 1.667 7.270) 9.210 8.313 ( 7.557 -9.620 -3.290) 12.668 8.313 ( 7.557 9.620 -3.290) 12.668 8.753 ( 1.339 -9.786 -3.811) 10.587 8.753 ( 1.339 9.786 -3.811) 10.587 9.120 ( 6.506 -4.280 -5.474) 9.518 9.120 ( 6.506 4.280 -5.474) 9.518 9.922 ( -0.225 -3.795 -4.965) 6.253 9.922 ( -0.225 3.795 -4.965) 6.253======================= Grid point 55 (24/84) =======================q-point: ( 0.43 -0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 3.617 -3.192 17.778) 18.421 1.737 ( 3.617 3.192 17.778) 18.421 1.879 ( 7.966 -7.239 8.820) 13.916 1.879 ( 7.966 7.239 8.820) 13.916 2.638 ( -7.588 -8.344 2.021) 11.458 2.638 ( -7.588 8.344 2.021) 11.458 2.732 ( -0.036 -4.887 -3.449) 5.981 2.732 ( -0.036 4.887 -3.449) 5.981 3.364 ( 13.230 -2.400 -2.607) 13.696 3.364 ( 13.230 2.400 -2.607) 13.696 3.782 ( 2.762 -1.054 6.788) 7.404 3.782 ( 2.762 1.054 6.788) 7.404 4.183 ( -15.004 -3.879 13.237) 20.381 4.183 ( -15.004 3.879 13.237) 20.381 5.211 ( 8.588 -2.221 1.019) 8.928 5.211 ( 8.588 2.221 1.019) 8.928 5.326 ( 2.148 -2.651 -1.089) 3.582 5.326 ( 2.148 2.651 -1.089) 3.582 5.507 ( -0.390 -2.226 4.676) 5.193 5.507 ( -0.390 2.226 4.676) 5.193 5.661 ( -2.247 -1.290 6.845) 7.319 5.661 ( -2.247 1.290 6.845) 7.319 5.920 ( -5.960 -6.424 8.238) 12.027 5.920 ( -5.960 6.424 8.238) 12.027 6.500 ( -5.574 -3.987 -1.875) 7.105 6.500 ( -5.574 3.987 -1.875) 7.105 7.352 ( 0.051 -0.756 -4.107) 4.177 7.352 ( 0.051 0.756 -4.107) 4.177 7.560 ( 8.653 -2.410 -3.660) 9.700 7.560 ( 8.653 2.410 -3.660) 9.700 7.822 ( 3.709 -8.413 4.673) 10.314 7.822 ( 3.709 8.413 4.673) 10.314 7.967 ( -9.400 -3.983 9.143) 13.705 7.967 ( -9.400 3.983 9.143) 13.705 8.482 ( 7.052 -7.713 -5.875) 11.989 8.482 ( 7.052 7.713 -5.875) 11.989 8.709 ( -4.096 -7.060 -3.547) 8.900 8.709 ( -4.096 7.060 -3.547) 8.900 9.234 ( 3.440 -2.367 -7.907) 8.942 9.234 ( 3.440 2.367 -7.907) 8.942 9.916 ( -0.250 -1.809 -6.263) 6.524 9.916 ( -0.250 1.809 -6.263) 6.524======================= Grid point 70 (25/84) =======================q-point: ( 0.00 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( 0.000 0.000 29.416) 29.416 1.270 ( 0.000 0.000 30.063) 30.063 2.010 ( 0.000 0.000 46.661) 46.661 2.190 ( 0.000 0.000 14.199) 14.199 2.352 ( 0.000 0.000 -0.518) 0.518 2.429 ( 0.000 0.000 0.736) 0.736 3.072 ( 0.000 0.000 19.723) 19.723 3.106 ( 0.000 0.000 -1.649) 1.649 3.415 ( 0.000 0.000 31.362) 31.362 3.931 ( 0.000 0.000 -6.326) 6.326 3.988 ( 0.000 0.000 5.416) 5.416 4.120 ( 0.000 0.000 35.492) 35.492 4.383 ( 0.000 0.000 4.988) 4.988 4.625 ( 0.000 0.000 -4.732) 4.732 5.178 ( 0.000 0.000 -10.716) 10.716 5.203 ( 0.000 0.000 -1.113) 1.113 5.291 ( 0.000 0.000 1.202) 1.202 5.343 ( 0.000 0.000 -1.162) 1.162 5.396 ( 0.000 0.000 1.878) 1.878 5.448 ( 0.000 0.000 7.916) 7.916 5.479 ( 0.000 0.000 3.145) 3.145 5.886 ( 0.000 0.000 6.433) 6.433 5.907 ( 0.000 0.000 -8.767) 8.767 6.267 ( 0.000 0.000 -16.299) 16.299 6.587 ( 0.000 0.000 -9.333) 9.333 6.850 ( 0.000 0.000 -7.804) 7.804 6.889 ( 0.000 0.000 -0.585) 0.585 7.293 ( 0.000 0.000 -14.096) 14.096 7.462 ( 0.000 0.000 10.536) 10.536 7.594 ( 0.000 0.000 10.297) 10.297 7.723 ( 0.000 0.000 -6.276) 6.276 7.745 ( 0.000 0.000 6.227) 6.227 7.842 ( 0.000 0.000 -8.537) 8.537 8.231 ( 0.000 0.000 2.401) 2.401 8.282 ( 0.000 0.000 2.977) 2.977 8.399 ( 0.000 0.000 -2.025) 2.025 8.507 ( 0.000 0.000 9.817) 9.817 8.944 ( 0.000 0.000 -2.012) 2.012 8.946 ( 0.000 0.000 -4.364) 4.364 9.426 ( 0.000 0.000 -1.036) 1.036 9.694 ( 0.000 0.000 -2.840) 2.840 9.701 ( 0.000 0.000 -6.257) 6.257======================= Grid point 71 (26/84) =======================q-point: ( 0.14 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.277 ( 10.747 0.000 26.247) 28.362 1.375 ( 9.755 0.000 26.219) 27.975 2.099 ( -3.998 0.000 9.873) 10.652 2.192 ( 13.746 0.000 34.985) 37.589 2.486 ( 7.746 0.000 7.363) 10.687 2.499 ( 5.968 0.000 1.814) 6.238 2.998 ( -9.272 0.000 13.228) 16.154 3.080 ( 0.492 0.000 7.393) 7.409 3.366 ( 2.601 0.000 30.302) 30.414 3.817 ( -10.177 0.000 -5.406) 11.524 3.885 ( -9.680 0.000 2.063) 9.897 3.925 ( -17.857 0.000 15.608) 23.717 4.579 ( 22.189 0.000 22.844) 31.846 4.865 ( 14.559 0.000 -3.060) 14.877 4.918 ( -17.887 0.000 -5.832) 18.814 5.095 ( -10.977 0.000 -4.424) 11.835 5.291 ( -0.061 0.000 -0.467) 0.471 5.408 ( 2.904 0.000 0.196) 2.911 5.488 ( 6.648 0.000 3.319) 7.430 5.496 ( 4.455 0.000 7.355) 8.599 5.509 ( 1.856 0.000 4.295) 4.679 5.821 ( -5.134 0.000 5.568) 7.574 5.995 ( 6.943 0.000 -6.910) 9.795 6.328 ( 5.996 0.000 -14.996) 16.150 6.623 ( -17.480 0.000 5.442) 18.308 6.730 ( 9.236 0.000 -8.540) 12.579 6.919 ( 6.693 0.000 -7.003) 9.687 7.280 ( -1.078 0.000 4.433) 4.562 7.455 ( 0.483 0.000 -6.346) 6.364 7.465 ( -9.291 0.000 9.405) 13.221 7.601 ( -11.112 0.000 10.812) 15.504 7.899 ( 5.708 0.000 -8.938) 10.605 8.003 ( 16.570 0.000 -8.587) 18.663 8.252 ( -0.608 0.000 0.063) 0.611 8.306 ( 2.187 0.000 4.753) 5.232 8.462 ( -4.405 0.000 10.010) 10.937 8.502 ( 8.988 0.000 -7.652) 11.804 8.928 ( -1.643 0.000 -4.480) 4.772 8.958 ( 1.316 0.000 -2.094) 2.473 9.452 ( 2.548 0.000 -1.706) 3.066 9.555 ( -9.902 0.000 -8.042) 12.757 9.720 ( -0.510 0.000 -5.326) 5.351======================= Grid point 72 (27/84) =======================q-point: ( 0.29 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 18.171 0.000 18.559) 25.974 1.631 ( 14.388 0.000 17.972) 23.023 2.089 ( 3.218 0.000 11.664) 12.100 2.396 ( 4.669 0.000 16.754) 17.392 2.559 ( -4.620 0.000 3.637) 5.880 2.571 ( -0.419 0.000 14.717) 14.723 2.857 ( 1.628 0.000 14.026) 14.120 3.180 ( 7.751 0.000 7.686) 10.916 3.548 ( -15.760 0.000 -3.981) 16.255 3.566 ( -2.110 0.000 10.545) 10.754 3.645 ( 11.936 0.000 28.992) 31.353 3.652 ( -11.810 0.000 -3.825) 12.414 4.521 ( -20.715 0.000 -3.122) 20.949 4.819 ( -14.935 0.000 2.009) 15.070 5.055 ( 18.015 0.000 10.623) 20.914 5.159 ( 17.588 0.000 10.318) 20.391 5.272 ( -1.193 0.000 -2.793) 3.037 5.389 ( -4.717 0.000 2.022) 5.132 5.523 ( -1.198 0.000 0.368) 1.254 5.613 ( 6.710 0.000 6.507) 9.346 5.660 ( 9.684 0.000 8.938) 13.178 5.735 ( -2.721 0.000 1.796) 3.260 6.114 ( 2.728 0.000 -0.761) 2.832 6.364 ( -5.940 0.000 8.786) 10.606 6.395 ( -2.855 0.000 -2.143) 3.570 6.808 ( -2.895 0.000 -3.191) 4.308 7.048 ( 2.606 0.000 -3.148) 4.087 7.245 ( -2.422 0.000 6.756) 7.177 7.347 ( -0.124 0.000 0.957) 0.965 7.484 ( 1.983 0.000 -10.689) 10.871 7.497 ( 5.747 0.000 10.910) 12.331 8.029 ( 6.252 0.000 -9.752) 11.584 8.202 ( -2.920 0.000 1.397) 3.237 8.220 ( 2.994 0.000 0.416) 3.023 8.332 ( -0.458 0.000 0.677) 0.817 8.338 ( -6.564 0.000 9.487) 11.537 8.705 ( 10.078 0.000 -12.900) 16.370 8.889 ( -1.865 0.000 -5.050) 5.383 8.985 ( 1.009 0.000 -3.503) 3.645 9.346 ( -9.725 0.000 -16.697) 19.323 9.522 ( 4.075 0.000 -3.862) 5.614 9.697 ( -1.512 0.000 -7.323) 7.477======================= Grid point 73 (28/84) =======================q-point: ( 0.43 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.907 ( 10.868 0.000 10.826) 15.340 1.920 ( 11.297 0.000 14.640) 18.492 2.206 ( 6.916 0.000 14.928) 16.452 2.358 ( -9.380 0.000 10.140) 13.814 2.436 ( -0.842 0.000 10.642) 10.675 2.484 ( -6.046 0.000 16.541) 17.612 3.030 ( 10.455 0.000 3.920) 11.166 3.220 ( 1.514 0.000 9.046) 9.172 3.236 ( -13.031 0.000 -1.116) 13.078 3.408 ( -12.554 0.000 -1.833) 12.687 3.678 ( 17.081 0.000 4.854) 17.757 4.087 ( -21.596 0.000 0.134) 21.597 4.111 ( 23.767 0.000 19.688) 30.863 4.515 ( -15.958 0.000 10.435) 19.067 5.197 ( -1.078 0.000 -0.611) 1.239 5.254 ( -6.585 0.000 1.282) 6.708 5.292 ( 8.453 0.000 -0.638) 8.477 5.443 ( -6.148 0.000 0.255) 6.153 5.579 ( 13.013 0.000 8.486) 15.535 5.697 ( -2.141 0.000 1.123) 2.418 5.803 ( 14.951 0.000 13.445) 20.107 5.862 ( 9.540 0.000 10.076) 13.875 6.050 ( -6.906 0.000 10.027) 12.175 6.181 ( -16.402 0.000 13.057) 20.964 6.415 ( 8.416 0.000 2.881) 8.895 6.633 ( -11.874 0.000 2.939) 12.232 7.094 ( 3.923 0.000 0.541) 3.960 7.181 ( -3.936 0.000 3.981) 5.599 7.441 ( 5.819 0.000 -8.078) 9.955 7.508 ( -0.474 0.000 -11.103) 11.114 7.749 ( 15.406 0.000 5.628) 16.401 8.039 ( -10.841 0.000 0.522) 10.854 8.158 ( 0.048 0.000 1.579) 1.580 8.163 ( -0.664 0.000 1.873) 1.987 8.286 ( -0.597 0.000 5.236) 5.270 8.303 ( -1.767 0.000 0.093) 1.770 8.860 ( 3.407 0.000 -11.406) 11.904 8.871 ( 0.211 0.000 -6.841) 6.844 9.024 ( 4.674 0.000 -11.238) 12.171 9.168 ( -8.123 0.000 -19.502) 21.127 9.603 ( 3.527 0.000 -6.769) 7.633 9.660 ( -2.183 0.000 -8.330) 8.611======================= Grid point 77 (29/84) =======================q-point: ( 0.00 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.294 ( 0.000 5.914 24.567) 25.269 1.322 ( 0.000 12.355 24.496) 27.435 1.968 ( 0.000 -15.701 9.358) 18.278 2.113 ( 0.000 -17.174 7.077) 18.574 2.281 ( 0.000 17.485 36.610) 40.571 2.512 ( 0.000 3.886 8.868) 9.682 3.033 ( 0.000 -2.351 20.735) 20.868 3.133 ( 0.000 1.509 1.555) 2.167 3.557 ( 0.000 11.262 26.167) 28.488 3.830 ( 0.000 -7.362 -3.666) 8.224 3.860 ( 0.000 -10.045 11.121) 14.986 4.034 ( 0.000 -7.055 29.193) 30.033 4.452 ( 0.000 4.615 2.074) 5.060 4.592 ( 0.000 -2.232 -4.950) 5.430 5.192 ( 0.000 1.560 -5.671) 5.882 5.229 ( 0.000 1.441 -0.599) 1.561 5.348 ( 0.000 3.098 -0.472) 3.134 5.366 ( 0.000 1.547 0.640) 1.674 5.426 ( 0.000 1.324 8.357) 8.461 5.466 ( 0.000 0.626 8.455) 8.478 5.526 ( 0.000 5.611 -6.065) 8.262 5.841 ( 0.000 -5.299 -9.545) 10.917 5.937 ( 0.000 4.774 7.398) 8.805 6.325 ( 0.000 5.064 -17.136) 17.868 6.433 ( 0.000 -14.741 4.323) 15.362 6.598 ( 0.000 -5.741 -10.775) 12.209 7.160 ( 0.000 2.558 -6.235) 6.739 7.206 ( 0.000 -5.237 -7.257) 8.950 7.422 ( 0.000 7.751 7.276) 10.631 7.687 ( 0.000 5.202 2.498) 5.771 7.741 ( 0.000 1.421 -6.131) 6.293 7.795 ( 0.000 0.237 0.131) 0.270 7.858 ( 0.000 2.814 -1.246) 3.078 8.186 ( 0.000 -8.873 4.957) 10.163 8.237 ( 0.000 0.634 1.524) 1.651 8.330 ( 0.000 -3.557 -0.863) 3.660 8.570 ( 0.000 3.308 7.770) 8.445 8.869 ( 0.000 -7.423 -2.211) 7.745 8.913 ( 0.000 -0.359 -2.072) 2.103 9.138 ( 0.000 -12.221 1.959) 12.377 9.777 ( 0.000 5.809 -2.648) 6.384 9.872 ( 0.000 5.168 -5.037) 7.217======================= Grid point 78 (30/84) =======================q-point: ( 0.14 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( 10.994 7.916 20.512) 24.582 1.440 ( 10.620 10.260 23.291) 27.577 1.940 ( 0.075 -11.952 9.654) 15.364 2.239 ( 8.585 -15.980 11.645) 21.556 2.357 ( 6.346 9.311 24.112) 26.615 2.546 ( 2.782 1.999 10.117) 10.681 3.055 ( -4.735 3.551 11.789) 13.191 3.128 ( 4.268 3.555 7.662) 9.464 3.434 ( -2.264 5.704 27.993) 28.658 3.630 ( -14.748 -10.621 3.979) 18.605 3.833 ( -7.988 -3.246 2.033) 8.859 3.972 ( -8.540 -2.257 15.514) 17.853 4.576 ( 17.010 1.247 13.392) 21.685 4.784 ( 12.196 -5.792 -1.989) 13.648 4.994 ( -15.900 5.779 -2.813) 17.150 5.126 ( -10.816 1.518 -2.920) 11.306 5.320 ( -1.316 2.019 0.651) 2.497 5.397 ( 2.651 -1.092 1.396) 3.189 5.493 ( 5.087 0.005 11.110) 12.219 5.515 ( 3.522 0.745 6.539) 7.465 5.572 ( 4.037 5.914 -6.564) 9.714 5.863 ( -2.344 1.153 3.093) 4.048 5.941 ( 4.617 -1.639 -3.915) 6.272 6.349 ( -2.240 -9.002 1.953) 9.480 6.422 ( 1.299 1.084 -7.884) 8.063 6.707 ( 9.092 -3.981 -11.673) 15.322 7.071 ( 0.960 5.072 -4.110) 6.598 7.276 ( 0.408 -3.156 -3.439) 4.685 7.385 ( -3.940 3.932 4.138) 6.936 7.546 ( -9.376 3.873 2.498) 10.447 7.674 ( -6.942 5.092 8.262) 11.933 7.898 ( 4.511 0.417 -6.079) 7.582 7.966 ( 13.201 -3.300 -6.297) 14.994 8.185 ( 0.640 -7.085 2.306) 7.478 8.305 ( 3.811 0.922 1.137) 4.082 8.410 ( 5.482 -5.305 -4.342) 8.778 8.532 ( -3.211 4.160 7.165) 8.885 8.866 ( -0.521 -6.333 -2.536) 6.842 8.931 ( 1.801 -0.549 -2.577) 3.192 9.130 ( -0.774 -12.311 -1.372) 12.411 9.746 ( -2.847 6.703 -3.880) 8.252 9.835 ( -2.860 5.238 -6.228) 8.626======================= Grid point 79 (31/84) =======================q-point: ( 0.29 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 14.684 4.742 16.458) 22.561 1.718 ( 15.526 10.326 17.749) 25.743 2.011 ( 6.891 -5.807 12.110) 15.095 2.350 ( 2.222 -8.535 19.778) 21.656 2.508 ( 5.766 0.358 10.126) 11.658 2.587 ( -0.576 1.258 2.697) 3.031 2.880 ( -5.373 1.950 10.246) 11.732 3.218 ( -4.767 -3.785 6.832) 9.150 3.318 ( -6.257 -4.148 6.507) 9.934 3.549 ( -11.701 -3.563 4.945) 13.193 3.679 ( 15.721 5.050 21.142) 26.826 3.815 ( -4.402 4.795 5.213) 8.339 4.587 ( -20.091 4.903 -0.751) 20.694 4.789 ( -15.382 -2.765 2.719) 15.863 5.021 ( 19.335 -2.559 14.602) 24.364 5.086 ( 13.439 -4.247 3.171) 14.446 5.285 ( -2.931 2.248 -1.328) 3.925 5.407 ( -2.226 -1.192 0.463) 2.568 5.556 ( 0.254 2.753 3.298) 4.304 5.598 ( 4.854 -0.571 6.789) 8.365 5.711 ( 8.462 4.103 5.001) 10.651 5.800 ( -1.667 5.580 4.401) 7.300 6.042 ( 1.534 -5.250 -0.057) 5.470 6.229 ( -2.584 -9.641 9.551) 13.815 6.484 ( -1.494 6.782 -3.948) 7.988 6.794 ( -3.595 -3.611 -4.588) 6.856 7.146 ( 1.423 7.981 -2.698) 8.544 7.248 ( 0.384 0.928 3.495) 3.637 7.333 ( 0.910 -1.882 1.778) 2.744 7.440 ( 1.043 -1.700 -7.167) 7.439 7.612 ( 2.461 8.123 6.730) 10.832 8.004 ( 4.973 -1.743 -4.277) 6.787 8.145 ( 4.016 -5.223 -1.272) 6.710 8.227 ( 1.619 -0.173 2.135) 2.685 8.318 ( -2.917 -0.796 3.665) 4.752 8.396 ( -5.121 3.213 -0.876) 6.109 8.574 ( 6.412 -7.335 -6.370) 11.640 8.839 ( -2.029 -5.211 -5.091) 7.562 8.977 ( 2.248 -0.061 -4.807) 5.307 9.113 ( -0.742 -9.923 -10.295) 14.318 9.691 ( -1.662 7.293 -6.191) 9.710 9.779 ( -2.555 4.268 -8.008) 9.427======================= Grid point 80 (32/84) =======================q-point: ( 0.43 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 10.994 4.338 11.685) 16.620 1.991 ( 8.997 5.600 15.712) 18.952 2.180 ( 8.027 -1.913 17.462) 19.314 2.340 ( -6.493 -4.565 18.152) 19.811 2.459 ( -0.413 6.180 8.676) 10.660 2.553 ( -5.153 5.090 6.076) 9.454 2.917 ( 4.613 -8.613 3.656) 10.432 3.013 ( -7.140 -13.467 3.938) 15.743 3.308 ( -4.921 1.380 1.685) 5.381 3.321 ( -2.070 -2.270 -2.640) 4.050 3.844 ( 8.728 9.320 7.728) 14.925 4.079 ( 7.888 -1.528 15.799) 17.724 4.203 ( -6.693 7.547 4.386) 11.000 4.481 ( -14.751 -3.015 8.787) 17.432 5.221 ( -1.791 1.409 -0.931) 2.462 5.251 ( -3.362 -0.375 1.781) 3.823 5.293 ( 10.453 0.474 1.184) 10.530 5.448 ( -0.183 -1.587 3.194) 3.571 5.551 ( 7.222 -0.258 8.138) 10.884 5.669 ( -0.118 -2.368 3.902) 4.565 5.767 ( 3.912 1.230 8.301) 9.258 5.926 ( -5.970 -4.074 11.016) 13.175 5.981 ( 10.390 3.868 11.263) 15.804 6.242 ( -7.852 -1.300 12.281) 14.635 6.393 ( 3.424 1.561 0.893) 3.867 6.598 ( -12.520 -3.365 3.151) 13.342 7.174 ( 3.138 6.330 -0.908) 7.123 7.240 ( -2.459 4.438 1.708) 5.354 7.425 ( 5.634 -1.214 -8.200) 10.023 7.484 ( 0.219 -2.154 -10.602) 10.821 7.793 ( 13.624 4.275 5.847) 15.430 8.056 ( -6.881 1.512 1.352) 7.174 8.122 ( -0.642 -3.635 6.799) 7.736 8.210 ( -2.635 1.350 2.688) 3.999 8.257 ( 0.979 -1.487 2.584) 3.138 8.323 ( -2.918 3.419 -5.237) 6.901 8.695 ( 5.184 -11.060 -10.211) 15.920 8.785 ( -3.534 -8.174 -8.985) 12.650 9.028 ( 3.118 0.463 -9.759) 10.255 9.088 ( -2.187 -3.500 -13.915) 14.514 9.690 ( 1.333 5.185 -7.750) 9.420 9.730 ( -2.276 3.906 -8.790) 9.885======================= Grid point 84 (33/84) =======================q-point: ( 0.00 -0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( 0.000 -11.932 12.438) 17.236 1.553 ( 0.000 11.932 12.438) 17.236 1.711 ( 0.000 -13.645 15.916) 20.965 1.711 ( 0.000 13.645 15.916) 20.965 2.539 ( 0.000 -3.215 19.121) 19.389 2.539 ( 0.000 3.215 19.121) 19.389 3.089 ( 0.000 -6.105 17.048) 18.108 3.089 ( 0.000 6.105 17.048) 18.108 3.702 ( 0.000 -0.586 4.345) 4.385 3.702 ( 0.000 0.586 4.345) 4.385 3.831 ( 0.000 -10.539 24.390) 26.569 3.831 ( 0.000 10.539 24.390) 26.569 4.538 ( 0.000 -2.888 -2.962) 4.137 4.538 ( 0.000 2.888 -2.962) 4.137 5.233 ( 0.000 -1.285 -1.411) 1.909 5.233 ( 0.000 1.285 -1.411) 1.909 5.387 ( 0.000 -0.224 1.261) 1.281 5.387 ( 0.000 0.224 1.261) 1.281 5.451 ( 0.000 -1.368 9.413) 9.511 5.451 ( 0.000 1.368 9.413) 9.511 5.692 ( 0.000 -7.741 -10.383) 12.952 5.692 ( 0.000 7.741 -10.383) 12.952 6.118 ( 0.000 -11.695 9.829) 15.276 6.118 ( 0.000 11.695 9.829) 15.276 6.468 ( 0.000 -6.730 -16.318) 17.651 6.468 ( 0.000 6.730 -16.318) 17.651 7.132 ( 0.000 -0.458 -2.580) 2.620 7.132 ( 0.000 0.458 -2.580) 2.620 7.700 ( 0.000 -8.031 -5.632) 9.809 7.700 ( 0.000 8.031 -5.632) 9.809 7.770 ( 0.000 -1.505 -4.594) 4.834 7.770 ( 0.000 1.505 -4.594) 4.834 7.955 ( 0.000 -7.810 8.808) 11.772 7.955 ( 0.000 7.810 8.808) 11.772 8.265 ( 0.000 -2.061 0.756) 2.196 8.265 ( 0.000 2.061 0.756) 2.196 8.678 ( 0.000 -7.340 3.593) 8.172 8.678 ( 0.000 7.340 3.593) 8.172 8.969 ( 0.000 -4.781 -0.604) 4.819 8.969 ( 0.000 4.781 -0.604) 4.819 9.886 ( 0.000 -2.985 -2.842) 4.121 9.886 ( 0.000 2.985 -2.842) 4.121======================= Grid point 86 (34/84) =======================q-point: ( 0.14 -0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( 6.693 -10.318 13.815) 18.496 1.619 ( 6.693 10.318 13.815) 18.496 1.830 ( 10.453 -16.797 14.767) 24.687 1.830 ( 10.453 16.797 14.767) 24.687 2.529 ( -0.157 -4.239 15.735) 16.297 2.529 ( -0.157 4.239 15.735) 16.297 3.159 ( 2.438 -3.805 9.783) 10.777 3.159 ( 2.438 3.805 9.783) 10.777 3.491 ( -9.737 -0.254 15.556) 18.354 3.491 ( -9.737 0.254 15.556) 18.354 3.847 ( -4.394 -5.934 13.531) 15.415 3.847 ( -4.394 5.934 13.531) 15.415 4.655 ( 11.243 -5.231 2.106) 12.578 4.655 ( 11.243 5.231 2.106) 12.578 5.111 ( -13.458 -3.443 -0.762) 13.912 5.111 ( -13.458 3.443 -0.762) 13.912 5.364 ( 0.537 -1.813 1.572) 2.459 5.364 ( 0.537 1.813 1.572) 2.459 5.504 ( 4.139 -1.102 8.220) 9.269 5.504 ( 4.139 1.102 8.220) 9.269 5.738 ( 4.450 -8.083 -8.134) 12.300 5.738 ( 4.450 8.083 -8.134) 12.300 6.084 ( -3.178 -10.595 9.868) 14.824 6.084 ( -3.178 10.595 9.868) 14.824 6.572 ( 7.691 -7.635 -14.361) 17.991 6.572 ( 7.691 7.635 -14.361) 17.991 7.151 ( 2.906 -4.621 -2.170) 5.874 7.151 ( 2.906 4.621 -2.170) 5.874 7.556 ( -10.841 -4.232 -1.337) 11.714 7.556 ( -10.841 4.232 -1.337) 11.714 7.836 ( 0.855 -8.115 4.296) 9.221 7.836 ( 0.855 8.115 4.296) 9.221 7.979 ( 6.453 -7.711 -2.870) 10.456 7.979 ( 6.453 7.711 -2.870) 10.456 8.329 ( 3.377 -1.618 -0.378) 3.763 8.329 ( 3.377 1.618 -0.378) 3.763 8.676 ( -0.224 -8.555 2.616) 8.949 8.676 ( -0.224 8.555 2.616) 8.949 8.970 ( 0.336 -3.850 -2.534) 4.621 8.970 ( 0.336 3.850 -2.534) 4.621 9.858 ( -2.507 -2.688 -4.146) 5.541 9.858 ( -2.507 2.688 -4.146) 5.541======================= Grid point 88 (35/84) =======================q-point: ( 0.29 -0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( 11.797 -5.906 14.170) 19.360 1.814 ( 11.797 5.906 14.170) 19.360 2.063 ( 10.581 -13.898 17.771) 24.918 2.063 ( 10.581 13.898 17.771) 24.918 2.570 ( 4.551 -2.905 5.030) 7.379 2.570 ( 4.551 2.905 5.030) 7.379 2.993 ( -14.170 -8.909 6.658) 18.013 2.993 ( -14.170 8.909 6.658) 18.013 3.427 ( -4.885 -6.705 9.518) 12.626 3.427 ( -4.885 6.705 9.518) 12.626 3.811 ( 6.628 -4.671 12.788) 15.142 3.811 ( 6.628 4.671 12.788) 15.142 4.699 ( -16.624 -4.846 2.716) 17.528 4.699 ( -16.624 4.846 2.716) 17.528 5.011 ( 13.829 -2.135 7.199) 15.736 5.011 ( 13.829 2.135 7.199) 15.736 5.353 ( -2.646 -3.189 -0.477) 4.171 5.353 ( -2.646 3.189 -0.477) 4.171 5.585 ( 3.484 -0.626 6.055) 7.014 5.585 ( 3.484 0.626 6.055) 7.014 5.850 ( 4.107 -6.096 1.144) 7.439 5.850 ( 4.107 6.096 1.144) 7.439 6.015 ( -1.271 -7.721 8.211) 11.342 6.015 ( -1.271 7.721 8.211) 11.342 6.655 ( -2.196 -7.832 -5.228) 9.669 6.655 ( -2.196 7.832 -5.228) 9.669 7.263 ( 6.377 -2.204 -0.456) 6.763 7.263 ( 6.377 2.204 -0.456) 6.763 7.359 ( -4.886 -5.578 -3.270) 8.105 7.359 ( -4.886 5.578 -3.270) 8.105 7.847 ( 1.740 -11.362 4.585) 12.375 7.847 ( 1.740 11.362 4.585) 12.375 8.158 ( 9.088 -5.819 -5.757) 12.230 8.158 ( 9.088 5.819 -5.757) 12.230 8.322 ( -4.533 -2.363 3.570) 6.236 8.322 ( -4.533 2.363 3.570) 6.236 8.661 ( -1.779 -9.224 -4.319) 10.339 8.661 ( -1.779 9.224 -4.319) 10.339 8.995 ( 2.266 -2.060 -6.455) 7.145 8.995 ( 2.266 2.060 -6.455) 7.145 9.802 ( -2.513 -2.295 -6.675) 7.493 9.802 ( -2.513 2.295 -6.675) 7.493======================= Grid point 90 (36/84) =======================q-point: ( 0.43 -0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.056 ( 10.210 -2.638 13.159) 16.863 2.056 ( 10.210 2.638 13.159) 16.863 2.204 ( 2.185 -6.059 22.829) 23.720 2.204 ( 2.185 6.059 22.829) 23.720 2.660 ( 2.506 -5.829 -1.923) 6.630 2.660 ( 2.506 5.829 -1.923) 6.630 2.742 ( -8.353 -2.676 7.641) 11.632 2.742 ( -8.353 2.676 7.641) 11.632 3.312 ( -2.951 -0.468 -0.581) 3.044 3.312 ( -2.951 0.468 -0.581) 3.044 4.008 ( 7.995 -5.108 12.992) 16.088 4.008 ( 7.995 5.108 12.992) 16.088 4.375 ( -11.246 -6.677 5.439) 14.165 4.375 ( -11.246 6.677 5.439) 14.165 5.235 ( 0.198 -0.526 0.376) 0.676 5.235 ( 0.198 0.526 0.376) 0.676 5.355 ( 9.221 -4.591 5.090) 11.490 5.355 ( 9.221 4.591 5.090) 11.490 5.606 ( -2.677 -3.302 5.349) 6.832 5.606 ( -2.677 3.302 5.349) 6.832 5.830 ( -2.231 -3.865 9.323) 10.336 5.830 ( -2.231 3.865 9.323) 10.336 6.114 ( 7.321 -7.188 10.704) 14.827 6.114 ( 7.321 7.188 10.704) 14.827 6.495 ( -9.665 -5.413 2.169) 11.288 6.495 ( -9.665 5.413 2.169) 11.288 7.295 ( 0.557 -2.025 -1.370) 2.507 7.295 ( 0.557 2.025 -1.370) 2.507 7.421 ( 3.666 -2.262 -9.301) 10.250 7.421 ( 3.666 2.262 -9.301) 10.250 7.945 ( 8.314 -8.615 5.577) 13.207 7.945 ( 8.314 8.615 5.577) 13.207 8.149 ( -10.198 -4.504 7.465) 13.417 8.149 ( -10.198 4.504 7.465) 13.417 8.330 ( 5.619 -5.283 -7.543) 10.788 8.330 ( 5.619 5.283 -7.543) 10.788 8.598 ( -3.471 -5.647 -7.908) 10.319 8.598 ( -3.471 5.647 -7.908) 10.319 9.044 ( 1.748 -1.062 -10.072) 10.278 9.044 ( 1.748 1.062 -10.072) 10.278 9.766 ( -0.945 -1.038 -8.232) 8.351 9.766 ( -0.945 1.038 -8.232) 8.351======================= Grid point 105 (37/84) =======================q-point: ( 0.00 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( 0.000 0.000 23.413) 23.413 1.803 ( 0.000 0.000 23.042) 23.042 2.377 ( 0.000 0.000 3.968) 3.968 2.450 ( 0.000 0.000 12.390) 12.390 2.453 ( 0.000 0.000 1.817) 1.817 2.855 ( 0.000 0.000 39.255) 39.255 3.014 ( 0.000 0.000 -6.492) 6.492 3.412 ( 0.000 0.000 12.702) 12.702 3.787 ( 0.000 0.000 -8.049) 8.049 3.971 ( 0.000 0.000 23.822) 23.822 4.147 ( 0.000 0.000 9.745) 9.745 4.474 ( 0.000 0.000 -4.025) 4.025 4.660 ( 0.000 0.000 24.545) 24.545 4.925 ( 0.000 0.000 -14.220) 14.220 4.977 ( 0.000 0.000 43.576) 43.576 5.126 ( 0.000 0.000 -8.502) 8.502 5.276 ( 0.000 0.000 -9.512) 9.512 5.290 ( 0.000 0.000 -3.042) 3.042 5.336 ( 0.000 0.000 4.139) 4.139 5.477 ( 0.000 0.000 -6.181) 6.181 5.677 ( 0.000 0.000 11.047) 11.047 5.841 ( 0.000 0.000 3.021) 3.021 5.949 ( 0.000 0.000 -0.170) 0.170 6.055 ( 0.000 0.000 -4.533) 4.533 6.292 ( 0.000 0.000 -19.844) 19.844 6.692 ( 0.000 0.000 -7.274) 7.274 6.918 ( 0.000 0.000 3.688) 3.688 7.018 ( 0.000 0.000 -13.462) 13.462 7.587 ( 0.000 0.000 -7.314) 7.314 7.635 ( 0.000 0.000 -12.418) 12.418 7.666 ( 0.000 0.000 10.005) 10.005 7.733 ( 0.000 0.000 3.956) 3.956 7.927 ( 0.000 0.000 11.297) 11.297 8.301 ( 0.000 0.000 4.673) 4.673 8.334 ( 0.000 0.000 1.525) 1.525 8.423 ( 0.000 0.000 5.303) 5.303 8.646 ( 0.000 0.000 3.988) 3.988 8.842 ( 0.000 0.000 -6.217) 6.217 8.892 ( 0.000 0.000 -3.187) 3.187 9.408 ( 0.000 0.000 -0.666) 0.666 9.538 ( 0.000 0.000 -10.558) 10.558 9.631 ( 0.000 0.000 -3.660) 3.660======================= Grid point 106 (38/84) =======================q-point: ( 0.14 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 6.267 0.000 21.996) 22.871 1.849 ( 4.369 0.000 20.590) 21.048 2.285 ( -2.075 0.000 10.461) 10.665 2.507 ( 4.587 0.000 2.884) 5.418 2.645 ( 11.693 0.000 8.123) 14.238 2.835 ( -3.672 0.000 18.999) 19.350 3.035 ( 3.188 0.000 7.018) 7.709 3.423 ( 0.794 0.000 16.083) 16.103 3.693 ( -8.600 0.000 -6.758) 10.938 3.861 ( -6.250 0.000 21.132) 22.037 3.988 ( -14.232 0.000 7.235) 15.965 4.244 ( -12.902 0.000 14.606) 19.489 4.760 ( -14.317 0.000 -9.624) 17.250 4.894 ( 13.719 0.000 10.679) 17.385 4.986 ( -7.254 0.000 -6.305) 9.611 5.189 ( 14.259 0.000 28.404) 31.783 5.312 ( 3.703 0.000 -8.072) 8.880 5.318 ( 2.698 0.000 10.235) 10.585 5.458 ( 6.157 0.000 -2.234) 6.550 5.551 ( 5.584 0.000 -2.051) 5.949 5.732 ( 4.968 0.000 10.524) 11.637 5.900 ( -7.124 0.000 1.301) 7.241 5.926 ( 7.234 0.000 0.972) 7.299 6.063 ( 8.895 0.000 -10.392) 13.679 6.493 ( 13.231 0.000 -15.262) 20.199 6.706 ( -11.572 0.000 4.008) 12.247 6.765 ( 7.452 0.000 -7.440) 10.531 7.127 ( 4.196 0.000 -11.579) 12.316 7.558 ( -3.037 0.000 6.626) 7.288 7.630 ( -9.675 0.000 7.118) 12.011 7.692 ( 5.440 0.000 -10.576) 11.893 7.836 ( 14.007 0.000 -7.405) 15.844 7.841 ( -6.682 0.000 12.571) 14.237 8.267 ( -2.804 0.000 1.573) 3.215 8.378 ( 3.370 0.000 -2.858) 4.419 8.422 ( -0.522 0.000 5.545) 5.569 8.609 ( -3.694 0.000 4.539) 5.852 8.823 ( -1.762 0.000 -6.205) 6.451 8.910 ( 1.357 0.000 -2.741) 3.059 9.383 ( -13.353 0.000 -9.974) 16.667 9.423 ( 1.343 0.000 -1.239) 1.827 9.625 ( -1.481 0.000 -4.705) 4.932======================= Grid point 107 (39/84) =======================q-point: ( 0.29 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.953 ( 11.381 0.000 16.490) 20.036 1.970 ( 7.185 0.000 15.067) 16.693 2.322 ( 5.124 0.000 12.704) 13.698 2.589 ( 1.428 0.000 4.749) 4.959 2.726 ( -4.655 0.000 10.454) 11.444 2.847 ( 6.641 0.000 11.646) 13.406 3.104 ( 2.268 0.000 9.831) 10.089 3.440 ( 2.035 0.000 18.290) 18.402 3.475 ( -11.984 0.000 -2.984) 12.350 3.657 ( -15.646 0.000 4.384) 16.249 3.788 ( -4.078 0.000 13.703) 14.297 4.126 ( 5.317 0.000 17.867) 18.641 4.434 ( -17.349 0.000 -5.418) 18.176 4.814 ( -9.117 0.000 -0.915) 9.163 5.141 ( 10.592 0.000 7.255) 12.838 5.231 ( -2.106 0.000 -1.047) 2.352 5.376 ( -0.572 0.000 -5.002) 5.034 5.491 ( -0.194 0.000 -1.186) 1.202 5.592 ( 8.867 0.000 15.382) 17.755 5.744 ( 18.400 0.000 15.781) 24.241 5.766 ( -5.132 0.000 0.896) 5.210 5.866 ( 7.491 0.000 8.550) 11.367 6.078 ( 6.595 0.000 -0.510) 6.615 6.306 ( 11.628 0.000 -5.654) 12.930 6.536 ( -4.546 0.000 8.475) 9.617 6.702 ( 5.906 0.000 -8.290) 10.179 6.983 ( 11.922 0.000 -4.290) 12.671 7.203 ( 3.771 0.000 -10.929) 11.561 7.408 ( -9.701 0.000 5.729) 11.266 7.467 ( -5.816 0.000 6.997) 9.098 7.713 ( -4.272 0.000 10.906) 11.712 7.816 ( 5.528 0.000 -10.351) 11.734 8.125 ( 12.615 0.000 -9.386) 15.723 8.211 ( -1.985 0.000 0.583) 2.069 8.388 ( -2.087 0.000 2.619) 3.349 8.457 ( 3.643 0.000 -9.397) 10.078 8.496 ( -7.183 0.000 5.728) 9.187 8.773 ( -3.623 0.000 -6.678) 7.597 8.924 ( -0.415 0.000 -2.755) 2.786 9.063 ( -15.845 0.000 -11.578) 19.624 9.457 ( 1.883 0.000 -2.796) 3.371 9.578 ( -2.658 0.000 -5.395) 6.014======================= Grid point 108 (40/84) =======================q-point: ( 0.43 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( 6.654 0.000 9.506) 11.603 2.157 ( 5.515 0.000 8.552) 10.176 2.449 ( 5.896 0.000 10.983) 12.465 2.531 ( -3.722 0.000 8.339) 9.132 2.723 ( 3.238 0.000 16.160) 16.481 2.849 ( -6.440 0.000 17.723) 18.857 3.141 ( 2.651 0.000 6.988) 7.474 3.249 ( -8.590 0.000 2.737) 9.016 3.458 ( -3.186 0.000 6.634) 7.359 3.470 ( -1.557 0.000 14.098) 14.184 3.788 ( 8.517 0.000 8.372) 11.942 4.074 ( -17.244 0.000 -0.655) 17.256 4.371 ( 14.360 0.000 6.971) 15.963 4.623 ( -10.272 0.000 2.355) 10.538 5.204 ( 0.577 0.000 0.624) 0.851 5.279 ( -6.153 0.000 0.067) 6.153 5.332 ( 8.231 0.000 4.647) 9.453 5.464 ( -4.129 0.000 0.701) 4.188 5.679 ( 2.017 0.000 2.492) 3.206 5.702 ( -1.144 0.000 0.366) 1.201 6.019 ( 6.738 0.000 4.777) 8.260 6.084 ( 4.617 0.000 6.859) 8.268 6.211 ( 12.083 0.000 14.559) 18.919 6.413 ( -3.057 0.000 9.226) 9.719 6.544 ( 5.589 0.000 9.133) 10.708 6.697 ( -6.166 0.000 2.732) 6.744 7.167 ( 6.709 0.000 6.256) 9.174 7.263 ( 0.638 0.000 -4.937) 4.978 7.304 ( -1.045 0.000 -4.619) 4.736 7.335 ( -6.056 0.000 2.351) 6.496 7.748 ( 7.306 0.000 -4.881) 8.787 7.867 ( -1.676 0.000 -11.668) 11.788 8.207 ( 1.942 0.000 4.318) 4.734 8.279 ( -0.991 0.000 3.541) 3.677 8.361 ( -0.081 0.000 3.426) 3.427 8.365 ( -1.967 0.000 1.916) 2.746 8.520 ( 2.733 0.000 -18.951) 19.147 8.626 ( -9.026 0.000 -16.673) 18.959 8.877 ( -1.870 0.000 -7.681) 7.906 8.894 ( -2.033 0.000 -4.045) 4.527 9.494 ( 1.690 0.000 -4.559) 4.862 9.530 ( -2.015 0.000 -5.521) 5.877======================= Grid point 112 (41/84) =======================q-point: ( 0.00 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( 0.000 -1.485 21.538) 21.589 1.772 ( 0.000 5.709 20.071) 20.867 2.139 ( 0.000 -13.763 8.707) 16.286 2.250 ( 0.000 -9.896 7.521) 12.429 2.704 ( 0.000 9.591 9.788) 13.703 2.932 ( 0.000 2.795 27.850) 27.990 3.078 ( 0.000 5.428 -5.072) 7.429 3.358 ( 0.000 -4.302 10.176) 11.048 3.787 ( 0.000 1.776 3.384) 3.822 4.062 ( 0.000 8.037 19.480) 21.073 4.078 ( 0.000 -5.896 11.934) 13.312 4.436 ( 0.000 -3.287 -2.031) 3.864 4.626 ( 0.000 -1.857 15.985) 16.093 4.802 ( 0.000 -10.904 32.127) 33.928 5.035 ( 0.000 7.744 -7.766) 10.967 5.184 ( 0.000 1.631 -3.191) 3.584 5.316 ( 0.000 2.713 -4.192) 4.993 5.365 ( 0.000 4.467 1.459) 4.699 5.416 ( 0.000 6.530 0.949) 6.599 5.534 ( 0.000 4.126 -4.339) 5.988 5.653 ( 0.000 -1.749 10.057) 10.208 5.738 ( 0.000 -7.319 0.975) 7.383 5.980 ( 0.000 2.605 -5.959) 6.503 6.127 ( 0.000 6.198 1.604) 6.403 6.227 ( 0.000 -5.435 -20.039) 20.763 6.544 ( 0.000 -9.145 1.460) 9.261 7.009 ( 0.000 -0.475 -11.418) 11.427 7.032 ( 0.000 3.599 -4.844) 6.035 7.595 ( 0.000 0.723 -8.089) 8.121 7.607 ( 0.000 -1.015 10.376) 10.425 7.629 ( 0.000 -0.502 -11.671) 11.682 7.739 ( 0.000 -0.269 2.211) 2.228 8.010 ( 0.000 5.829 10.403) 11.925 8.289 ( 0.000 -0.692 3.642) 3.707 8.313 ( 0.000 -3.127 5.028) 5.921 8.341 ( 0.000 -4.757 4.241) 6.373 8.673 ( 0.000 0.502 2.605) 2.653 8.800 ( 0.000 -3.744 -4.476) 5.835 8.864 ( 0.000 0.365 -2.926) 2.948 9.131 ( 0.000 -12.136 -2.459) 12.383 9.712 ( 0.000 5.642 -4.030) 6.933 9.753 ( 0.000 7.333 -7.020) 10.152======================= Grid point 113 (42/84) =======================q-point: ( 0.14 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 5.819 2.513 18.515) 19.570 1.872 ( 7.663 3.650 18.969) 20.782 2.146 ( 2.424 -9.178 11.690) 15.059 2.362 ( 9.212 -11.475 4.077) 15.269 2.720 ( 1.211 5.622 12.649) 13.895 2.871 ( -5.334 1.578 14.887) 15.892 3.114 ( 2.251 5.043 4.806) 7.321 3.384 ( 1.375 -4.372 8.288) 9.471 3.673 ( -9.393 1.418 8.002) 12.420 3.938 ( -9.525 -4.477 12.938) 16.678 3.951 ( -8.410 7.008 13.831) 17.639 4.224 ( -13.541 -1.642 9.139) 16.419 4.785 ( 2.727 0.289 0.548) 2.796 4.916 ( 2.083 0.733 8.669) 8.946 5.033 ( -1.679 2.377 -0.079) 2.912 5.089 ( 5.832 -3.212 16.356) 17.659 5.340 ( 0.707 1.936 -1.640) 2.633 5.355 ( 0.796 2.285 0.580) 2.489 5.511 ( 7.099 2.882 0.975) 7.724 5.580 ( 2.144 1.742 -0.236) 2.772 5.710 ( 5.618 -1.462 10.246) 11.776 5.810 ( 6.007 -5.848 -0.673) 8.410 6.022 ( -2.982 7.406 4.010) 8.934 6.106 ( 10.825 3.868 -12.609) 17.062 6.433 ( 12.669 -5.055 -15.014) 20.284 6.513 ( -3.521 -9.189 5.022) 11.047 6.937 ( 1.153 6.235 -7.696) 9.971 7.117 ( 3.665 -1.540 -9.670) 10.455 7.550 ( -4.935 0.157 8.797) 10.088 7.616 ( -6.455 -1.011 0.882) 6.593 7.720 ( 2.872 1.484 -3.690) 4.906 7.757 ( 11.185 -1.024 -7.958) 13.766 7.949 ( -3.288 4.760 7.641) 9.584 8.234 ( -2.600 -4.374 2.698) 5.759 8.339 ( 0.061 -2.506 -0.981) 2.692 8.363 ( 1.628 -3.110 3.836) 5.200 8.642 ( -3.250 2.036 3.390) 5.119 8.797 ( -0.756 -2.531 -4.292) 5.040 8.877 ( 1.237 -0.942 -2.903) 3.294 9.086 ( -4.797 -11.608 -3.485) 13.035 9.657 ( -4.694 7.480 -5.124) 10.210 9.715 ( -3.142 5.587 -6.004) 8.782======================= Grid point 114 (43/84) =======================q-point: ( 0.29 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( 10.341 3.603 13.201) 17.152 2.055 ( 9.908 5.593 13.835) 17.912 2.259 ( 8.364 -4.181 13.201) 16.177 2.568 ( 9.145 -6.995 1.886) 11.667 2.737 ( -1.403 -1.446 10.359) 10.553 2.756 ( -2.945 1.213 15.416) 15.741 3.107 ( -3.049 -0.249 12.485) 12.854 3.319 ( -9.040 -9.756 2.976) 13.629 3.527 ( -4.215 4.303 14.888) 16.060 3.626 ( -15.483 0.608 6.654) 16.863 3.930 ( -2.941 6.624 7.727) 10.594 4.065 ( 5.826 -2.911 11.880) 13.548 4.569 ( -15.829 8.933 0.139) 18.176 4.815 ( -10.954 -0.793 0.895) 11.019 5.140 ( 11.143 0.569 6.783) 13.057 5.234 ( -0.326 -0.493 -0.443) 0.738 5.369 ( -1.798 -0.804 1.814) 2.677 5.425 ( 6.931 -3.503 3.879) 8.681 5.606 ( 2.788 0.800 5.454) 6.177 5.691 ( 9.466 -3.267 7.809) 12.699 5.868 ( 3.821 3.747 5.813) 7.901 5.901 ( 7.936 5.303 7.564) 12.178 6.044 ( 5.754 -1.168 2.714) 6.468 6.361 ( 11.047 4.143 -7.159) 13.801 6.436 ( -2.149 -6.886 9.989) 12.321 6.652 ( 7.465 -5.108 -10.031) 13.507 7.060 ( 8.059 4.833 -6.943) 11.683 7.211 ( 5.531 0.239 -8.247) 9.933 7.393 ( -9.500 -1.434 6.750) 11.742 7.438 ( -7.645 -1.013 5.560) 9.507 7.755 ( -1.332 3.825 4.285) 5.896 7.869 ( 3.097 4.840 -4.719) 7.436 8.068 ( 10.917 -5.496 -8.410) 14.837 8.221 ( 1.809 -2.467 -1.592) 3.449 8.312 ( -2.060 -3.282 -0.621) 3.924 8.385 ( -0.252 -3.534 -2.975) 4.626 8.543 ( -5.941 2.731 3.580) 7.455 8.742 ( -5.960 -3.326 -4.629) 8.247 8.895 ( -0.087 -1.493 -3.669) 3.962 8.947 ( -6.677 -5.657 -6.516) 10.911 9.574 ( -2.628 6.640 -5.443) 8.979 9.643 ( -3.581 3.830 -6.150) 8.082======================= Grid point 115 (44/84) =======================q-point: ( 0.43 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.171 ( 7.707 4.372 8.165) 12.049 2.225 ( 4.143 4.905 6.816) 9.364 2.452 ( 9.371 0.939 11.100) 14.557 2.589 ( -4.539 4.763 8.087) 10.425 2.735 ( 2.320 0.329 14.058) 14.252 2.780 ( 0.376 -6.440 16.541) 17.755 3.045 ( -1.155 -6.443 9.952) 11.912 3.123 ( -8.120 -10.349 7.190) 14.991 3.372 ( -3.986 -1.590 8.706) 9.706 3.434 ( -7.200 -2.292 10.785) 13.169 3.970 ( 8.542 11.037 5.269) 14.917 4.210 ( -10.643 8.651 -1.739) 13.825 4.343 ( 9.166 -2.049 9.992) 13.714 4.587 ( -11.562 -3.647 3.817) 12.710 5.211 ( -0.012 0.590 -0.097) 0.598 5.258 ( -3.384 -1.524 -0.598) 3.759 5.372 ( 7.048 3.251 4.805) 9.128 5.476 ( -1.800 0.276 -1.036) 2.096 5.677 ( 3.577 0.674 3.173) 4.829 5.749 ( -3.172 2.491 4.796) 6.266 5.964 ( 8.097 -2.513 10.100) 13.187 6.079 ( -1.078 -2.127 4.500) 5.093 6.220 ( 14.648 2.295 13.226) 19.869 6.444 ( -3.772 2.366 6.661) 8.013 6.492 ( 7.375 -3.854 9.670) 12.758 6.671 ( -6.146 -3.246 2.772) 7.483 7.181 ( 4.753 1.575 -1.555) 5.243 7.265 ( -2.138 -0.230 -2.337) 3.176 7.295 ( 0.774 -0.333 -5.300) 5.367 7.329 ( -3.461 -0.483 2.437) 4.261 7.798 ( 6.718 4.502 -5.018) 9.518 7.905 ( -1.189 3.121 -11.162) 11.651 8.218 ( 3.634 -3.223 2.015) 5.259 8.250 ( -0.991 -0.291 1.067) 1.486 8.323 ( 1.024 -3.351 0.647) 3.563 8.350 ( 0.647 -0.745 1.442) 1.747 8.444 ( -2.218 -4.006 -10.363) 11.329 8.549 ( -9.958 -4.972 -10.744) 15.470 8.873 ( -0.131 0.032 -6.571) 6.572 8.891 ( -1.295 -0.357 -5.560) 5.720 9.554 ( 0.394 4.028 -5.976) 7.217 9.582 ( -2.284 3.198 -6.417) 7.524======================= Grid point 119 (45/84) =======================q-point: ( 0.00 -0.50 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( 0.000 -5.746 13.833) 14.979 1.816 ( 0.000 5.746 13.833) 14.979 2.021 ( 0.000 -7.988 14.938) 16.939 2.021 ( 0.000 7.988 14.938) 16.939 2.883 ( 0.000 -6.190 14.636) 15.891 2.883 ( 0.000 6.190 14.636) 15.891 3.227 ( 0.000 -7.109 -0.040) 7.109 3.227 ( 0.000 7.109 -0.040) 7.109 3.912 ( 0.000 -8.075 15.776) 17.722 3.912 ( 0.000 8.075 15.776) 17.722 4.289 ( 0.000 -10.369 10.914) 15.054 4.289 ( 0.000 10.369 10.914) 15.054 4.625 ( 0.000 -3.098 17.956) 18.222 4.625 ( 0.000 3.098 17.956) 18.222 5.172 ( 0.000 -3.165 -4.273) 5.317 5.172 ( 0.000 3.165 -4.273) 5.317 5.389 ( 0.000 -2.866 -0.755) 2.964 5.389 ( 0.000 2.866 -0.755) 2.964 5.553 ( 0.000 -4.513 -1.987) 4.931 5.553 ( 0.000 4.513 -1.987) 4.931 5.626 ( 0.000 -0.107 7.805) 7.805 5.626 ( 0.000 0.107 7.805) 7.805 6.082 ( 0.000 -6.484 -16.887) 18.089 6.082 ( 0.000 6.484 -16.887) 18.089 6.322 ( 0.000 -10.418 6.137) 12.092 6.322 ( 0.000 10.418 6.137) 12.092 7.021 ( 0.000 -1.840 -7.980) 8.189 7.021 ( 0.000 1.840 -7.980) 8.189 7.614 ( 0.000 -0.794 -9.911) 9.942 7.614 ( 0.000 0.794 -9.911) 9.942 7.682 ( 0.000 -4.922 3.112) 5.823 7.682 ( 0.000 4.922 3.112) 5.823 8.162 ( 0.000 -7.677 10.688) 13.159 8.162 ( 0.000 7.677 10.688) 13.159 8.291 ( 0.000 -1.103 1.918) 2.213 8.291 ( 0.000 1.103 1.918) 2.213 8.704 ( 0.000 -3.553 -0.369) 3.572 8.704 ( 0.000 3.553 -0.369) 3.572 8.941 ( 0.000 -5.729 -2.592) 6.288 8.941 ( 0.000 5.729 -2.592) 6.288 9.809 ( 0.000 -1.798 -5.120) 5.427 9.809 ( 0.000 1.798 -5.120) 5.427======================= Grid point 121 (46/84) =======================q-point: ( 0.14 -0.50 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( 7.309 -5.475 13.524) 16.318 1.895 ( 7.309 5.475 13.524) 16.318 2.101 ( 7.672 -9.320 12.645) 17.482 2.101 ( 7.672 9.320 12.645) 17.482 2.842 ( -3.377 -4.282 14.018) 15.041 2.842 ( -3.377 4.282 14.018) 15.041 3.242 ( -0.510 -6.855 1.444) 7.024 3.242 ( -0.510 6.855 1.444) 7.024 3.792 ( -8.358 -7.406 15.415) 19.035 3.792 ( -8.358 7.406 15.415) 19.035 4.133 ( -10.698 -7.169 10.245) 16.456 4.133 ( -10.698 7.169 10.245) 16.456 4.822 ( 11.942 -4.328 12.826) 18.051 4.822 ( 11.942 4.328 12.826) 18.051 5.092 ( -6.965 -1.375 0.814) 7.146 5.092 ( -6.965 1.375 0.814) 7.146 5.376 ( 0.276 -0.951 -0.508) 1.113 5.376 ( 0.276 0.951 -0.508) 1.113 5.574 ( 1.733 -2.309 -0.803) 2.996 5.574 ( 1.733 2.309 -0.803) 2.996 5.706 ( 7.919 -2.111 6.641) 10.548 5.706 ( 7.919 2.111 6.641) 10.548 6.187 ( 6.110 -2.173 -8.249) 10.493 6.187 ( 6.110 2.173 -8.249) 10.493 6.340 ( 3.501 -2.305 -0.127) 4.193 6.340 ( 3.501 2.305 -0.127) 4.193 7.040 ( 3.117 -4.266 -8.022) 9.605 7.040 ( 3.117 4.266 -8.022) 9.605 7.584 ( -6.074 -1.931 2.179) 6.736 7.584 ( -6.074 1.931 2.179) 6.736 7.752 ( 8.421 -1.133 -7.470) 11.314 7.752 ( 8.421 1.133 -7.470) 11.314 8.076 ( -5.668 -7.400 8.691) 12.744 8.076 ( -5.668 7.400 8.691) 12.744 8.320 ( 1.364 -0.644 0.192) 1.521 8.320 ( 1.364 0.644 0.192) 1.521 8.710 ( -0.493 -4.307 0.480) 4.362 8.710 ( -0.493 4.307 0.480) 4.362 8.915 ( -2.067 -4.264 -3.235) 5.737 8.915 ( -2.067 4.264 -3.235) 5.737 9.763 ( -4.024 -1.702 -5.485) 7.013 9.763 ( -4.024 1.702 -5.485) 7.013======================= Grid point 123 (47/84) =======================q-point: ( 0.29 -0.50 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.084 ( 10.327 -4.577 11.751) 16.299 2.084 ( 10.327 4.577 11.751) 16.299 2.313 ( 12.485 -10.949 8.399) 18.609 2.313 ( 12.485 10.949 8.399) 18.609 2.773 ( -3.062 -1.289 12.954) 13.373 2.773 ( -3.062 1.289 12.954) 13.373 3.140 ( -8.871 -4.758 9.102) 13.572 3.140 ( -8.871 4.758 9.102) 13.572 3.611 ( -11.260 -2.627 10.334) 15.508 3.611 ( -11.260 2.627 10.334) 15.508 4.022 ( 2.779 -1.985 7.253) 8.017 4.022 ( 2.779 1.985 7.253) 8.017 4.744 ( -14.084 -5.850 2.833) 15.512 4.744 ( -14.084 5.850 2.833) 15.512 5.181 ( 8.982 -3.079 5.842) 11.149 5.181 ( 8.982 3.079 5.842) 11.149 5.376 ( 0.543 -1.471 3.971) 4.269 5.376 ( 0.543 1.471 3.971) 4.269 5.631 ( 4.055 -1.840 1.354) 4.654 5.631 ( 4.055 1.840 1.354) 4.654 5.917 ( 10.729 -2.555 6.073) 12.590 5.917 ( 10.729 2.555 6.073) 12.590 6.207 ( -0.720 -11.786 9.075) 14.892 6.207 ( -0.720 11.786 9.075) 14.892 6.507 ( 8.934 -6.964 -8.779) 14.332 6.507 ( 8.934 6.964 -8.779) 14.332 7.157 ( 6.931 -4.216 -8.230) 11.556 7.157 ( 6.931 4.216 -8.230) 11.556 7.410 ( -9.247 -1.923 5.498) 10.929 7.410 ( -9.247 1.923 5.498) 10.929 7.887 ( 1.610 -7.434 -2.155) 7.906 7.887 ( 1.610 7.434 -2.155) 7.906 8.047 ( 5.481 -8.853 -3.173) 10.885 8.047 ( 5.481 8.853 -3.173) 10.885 8.328 ( -0.613 -1.940 -1.497) 2.526 8.328 ( -0.613 1.940 -1.497) 2.526 8.633 ( -7.397 -5.306 0.713) 9.131 8.633 ( -7.397 5.306 0.713) 9.131 8.885 ( -0.653 -0.710 -4.849) 4.944 8.885 ( -0.653 0.710 -4.849) 4.944 9.674 ( -4.082 -1.702 -6.305) 7.701 9.674 ( -4.082 1.702 -6.305) 7.701======================= Grid point 125 (48/84) =======================q-point: ( 0.43 -0.50 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( 6.201 -2.562 6.269) 9.182 2.268 ( 6.201 2.562 6.269) 9.182 2.562 ( 10.523 -9.534 9.150) 16.892 2.562 ( 10.523 9.534 9.150) 16.892 2.712 ( -3.645 -4.716 10.355) 11.948 2.712 ( -3.645 4.716 10.355) 11.948 2.964 ( -6.167 -1.024 15.801) 16.993 2.964 ( -6.167 1.024 15.801) 16.993 3.386 ( -7.928 -1.841 8.605) 11.845 3.386 ( -7.928 1.841 8.605) 11.845 4.188 ( 11.218 -7.842 2.620) 13.935 4.188 ( 11.218 7.842 2.620) 13.935 4.452 ( -13.685 -8.168 6.338) 17.151 4.452 ( -13.685 8.168 6.338) 17.151 5.228 ( -1.198 -0.982 -0.596) 1.660 5.228 ( -1.198 0.982 -0.596) 1.660 5.447 ( 3.448 -2.810 1.084) 4.578 5.447 ( 3.448 2.810 1.084) 4.578 5.729 ( 4.457 -3.370 7.927) 9.698 5.729 ( 4.457 3.370 7.927) 9.698 5.995 ( -2.037 -4.253 6.882) 8.342 5.995 ( -2.037 4.253 6.882) 8.342 6.335 ( 12.475 -7.266 11.887) 18.701 6.335 ( 12.475 7.266 11.887) 18.701 6.561 ( -5.299 -5.660 2.859) 8.264 6.561 ( -5.299 5.660 2.859) 8.264 7.229 ( 0.423 -2.368 -8.119) 8.468 7.229 ( 0.423 2.368 -8.119) 8.468 7.311 ( -0.604 -1.148 1.764) 2.189 7.311 ( -0.604 1.148 1.764) 2.189 7.922 ( 3.249 -4.505 -8.186) 9.892 7.922 ( 3.249 4.505 -8.186) 9.892 8.164 ( 1.957 -4.193 -2.571) 5.293 8.164 ( 1.957 4.193 -2.571) 5.293 8.320 ( 2.299 -2.168 0.178) 3.165 8.320 ( 2.299 2.168 0.178) 3.165 8.452 ( -8.784 -3.429 -2.222) 9.688 8.452 ( -8.784 3.429 -2.222) 9.688 8.880 ( 0.009 -0.485 -6.447) 6.465 8.880 ( 0.009 0.485 -6.447) 6.465 9.615 ( -1.488 -0.750 -6.877) 7.076 9.615 ( -1.488 0.750 -6.877) 7.076======================= Grid point 140 (49/84) =======================q-point: ( 0.00 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 0.000 0.000 8.252) 8.252 2.067 ( 0.000 0.000 2.226) 2.226 2.499 ( 0.000 0.000 2.783) 2.783 2.582 ( 0.000 0.000 17.552) 17.552 2.685 ( 0.000 0.000 11.864) 11.864 2.891 ( 0.000 0.000 -5.233) 5.233 3.442 ( 0.000 0.000 9.743) 9.743 3.633 ( 0.000 0.000 21.994) 21.994 3.639 ( 0.000 0.000 -6.308) 6.308 4.316 ( 0.000 0.000 6.282) 6.282 4.406 ( 0.000 0.000 21.227) 21.227 4.427 ( 0.000 0.000 0.994) 0.994 4.647 ( 0.000 0.000 -13.625) 13.625 4.871 ( 0.000 0.000 -15.506) 15.506 5.047 ( 0.000 0.000 -13.553) 13.553 5.156 ( 0.000 0.000 18.968) 18.968 5.265 ( 0.000 0.000 0.608) 0.608 5.305 ( 0.000 0.000 -9.147) 9.147 5.535 ( 0.000 0.000 19.301) 19.301 5.748 ( 0.000 0.000 -14.123) 14.123 5.766 ( 0.000 0.000 22.401) 22.401 5.963 ( 0.000 0.000 2.253) 2.253 5.988 ( 0.000 0.000 0.348) 0.348 5.991 ( 0.000 0.000 -3.678) 3.678 5.994 ( 0.000 0.000 23.202) 23.202 6.574 ( 0.000 0.000 -4.912) 4.912 6.781 ( 0.000 0.000 -10.591) 10.591 7.046 ( 0.000 0.000 9.932) 9.932 7.355 ( 0.000 0.000 -15.870) 15.870 7.455 ( 0.000 0.000 -5.656) 5.656 7.771 ( 0.000 0.000 0.681) 0.681 7.856 ( 0.000 0.000 9.371) 9.371 8.151 ( 0.000 0.000 10.891) 10.891 8.363 ( 0.000 0.000 1.418) 1.418 8.402 ( 0.000 0.000 5.306) 5.306 8.557 ( 0.000 0.000 7.250) 7.250 8.657 ( 0.000 0.000 -2.956) 2.956 8.704 ( 0.000 0.000 -7.878) 7.878 8.829 ( 0.000 0.000 -2.886) 2.886 9.282 ( 0.000 0.000 -15.696) 15.696 9.401 ( 0.000 0.000 -0.123) 0.123 9.550 ( 0.000 0.000 -4.617) 4.617======================= Grid point 141 (50/84) =======================q-point: ( 0.14 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.060 ( 2.863 0.000 6.237) 6.862 2.083 ( 1.737 0.000 1.936) 2.601 2.563 ( 5.838 0.000 3.123) 6.621 2.566 ( 0.237 0.000 18.224) 18.226 2.807 ( 9.505 0.000 8.789) 12.946 2.869 ( -1.621 0.000 -2.655) 3.111 3.398 ( -4.408 0.000 15.007) 15.641 3.580 ( -5.207 0.000 -3.938) 6.528 3.654 ( 2.839 0.000 10.924) 11.287 4.114 ( -15.479 0.000 4.641) 16.159 4.292 ( -8.572 0.000 22.072) 23.678 4.440 ( -0.473 0.000 9.536) 9.548 4.570 ( -9.985 0.000 -9.192) 13.571 4.854 ( 2.273 0.000 -7.366) 7.708 5.132 ( 1.981 0.000 -10.507) 10.692 5.193 ( 3.538 0.000 12.400) 12.895 5.278 ( -2.478 0.000 -3.078) 3.952 5.360 ( 9.263 0.000 -6.344) 11.227 5.598 ( 6.289 0.000 13.975) 15.325 5.750 ( -0.937 0.000 -12.566) 12.601 5.897 ( 9.450 0.000 10.257) 13.947 5.900 ( -1.286 0.000 4.298) 4.486 6.028 ( 6.291 0.000 2.282) 6.692 6.062 ( 7.173 0.000 28.849) 29.727 6.206 ( 14.283 0.000 -10.196) 17.549 6.644 ( 7.091 0.000 -5.010) 8.682 6.757 ( -2.080 0.000 -2.167) 3.004 6.992 ( -2.155 0.000 2.490) 3.293 7.382 ( 2.273 0.000 -15.482) 15.648 7.618 ( 12.667 0.000 -5.443) 13.787 7.724 ( -5.291 0.000 2.468) 5.839 7.844 ( -1.037 0.000 8.082) 8.149 8.075 ( -6.194 0.000 11.254) 12.846 8.309 ( -5.628 0.000 2.111) 6.010 8.375 ( -1.093 0.000 2.686) 2.900 8.539 ( -2.278 0.000 5.699) 6.138 8.629 ( -2.845 0.000 -2.755) 3.960 8.689 ( -1.432 0.000 -7.350) 7.488 8.859 ( 2.074 0.000 -2.279) 3.082 9.150 ( -12.038 0.000 -14.100) 18.540 9.404 ( 0.318 0.000 -0.654) 0.727 9.531 ( -1.961 0.000 -4.914) 5.291======================= Grid point 142 (51/84) =======================q-point: ( 0.29 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.134 ( 3.986 0.000 0.444) 4.011 2.135 ( 3.084 0.000 -0.061) 3.084 2.602 ( 2.939 0.000 15.792) 16.063 2.680 ( 3.370 0.000 5.279) 6.263 2.879 ( 4.581 0.000 4.215) 6.225 3.012 ( 9.373 0.000 5.829) 11.038 3.298 ( -4.229 0.000 12.723) 13.408 3.458 ( -6.123 0.000 1.852) 6.397 3.722 ( 1.956 0.000 5.683) 6.010 3.801 ( -13.369 0.000 9.708) 16.522 4.128 ( -6.125 0.000 21.690) 22.539 4.332 ( -12.366 0.000 -4.047) 13.012 4.418 ( -0.439 0.000 15.454) 15.461 4.818 ( -5.317 0.000 1.232) 5.457 5.219 ( -1.449 0.000 0.862) 1.686 5.226 ( 5.469 0.000 -9.055) 10.579 5.294 ( 4.504 0.000 2.993) 5.408 5.450 ( -0.848 0.000 -4.222) 4.306 5.720 ( -1.372 0.000 -6.962) 7.096 5.720 ( 4.060 0.000 9.041) 9.911 5.926 ( 3.978 0.000 -1.203) 4.156 6.045 ( 4.829 0.000 -1.501) 5.057 6.252 ( 13.833 0.000 -0.838) 13.859 6.287 ( 13.245 0.000 26.340) 29.483 6.503 ( 13.525 0.000 -9.433) 16.490 6.726 ( -0.139 0.000 9.959) 9.960 6.875 ( 15.789 0.000 -6.020) 16.897 7.015 ( 4.102 0.000 -5.233) 6.649 7.424 ( 1.588 0.000 -10.461) 10.581 7.544 ( -11.573 0.000 6.846) 13.446 7.792 ( -1.863 0.000 7.386) 7.617 7.904 ( 11.677 0.000 -11.792) 16.595 7.922 ( -9.447 0.000 10.437) 14.077 8.207 ( -2.905 0.000 -1.243) 3.159 8.349 ( -1.490 0.000 1.182) 1.902 8.470 ( -3.946 0.000 2.992) 4.952 8.542 ( -5.426 0.000 -1.363) 5.595 8.632 ( -5.817 0.000 -7.639) 9.601 8.869 ( -12.149 0.000 -9.226) 15.255 8.877 ( -0.717 0.000 -2.076) 2.196 9.411 ( 0.329 0.000 -1.937) 1.965 9.479 ( -2.718 0.000 -4.776) 5.495======================= Grid point 143 (52/84) =======================q-point: ( 0.43 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.191 ( 1.955 0.000 -3.927) 4.387 2.197 ( 1.620 0.000 -5.024) 5.279 2.665 ( 2.764 0.000 11.500) 11.827 2.697 ( -0.442 0.000 8.592) 8.604 3.023 ( 7.017 0.000 12.391) 14.240 3.115 ( -0.735 0.000 8.830) 8.860 3.268 ( 1.887 0.000 6.756) 7.014 3.346 ( -4.760 0.000 6.447) 8.014 3.644 ( -1.154 0.000 11.689) 11.745 3.695 ( -3.674 0.000 8.015) 8.817 4.053 ( -1.380 0.000 18.053) 18.106 4.113 ( -7.807 0.000 6.451) 10.128 4.489 ( 7.652 0.000 8.124) 11.160 4.672 ( -8.849 0.000 3.268) 9.433 5.210 ( 0.835 0.000 0.291) 0.885 5.251 ( -2.367 0.000 -2.645) 3.550 5.381 ( 3.716 0.000 -1.254) 3.922 5.430 ( -0.836 0.000 -3.655) 3.749 5.711 ( 1.067 0.000 -0.907) 1.400 5.745 ( -1.127 0.000 4.779) 4.911 6.025 ( 4.664 0.000 -3.743) 5.980 6.087 ( -0.864 0.000 -3.708) 3.808 6.494 ( 7.853 0.000 -2.216) 8.159 6.510 ( 6.484 0.000 9.278) 11.319 6.713 ( 6.302 0.000 -0.276) 6.308 6.751 ( 1.440 0.000 10.557) 10.655 7.129 ( 6.703 0.000 -2.651) 7.208 7.241 ( 15.962 0.000 -3.755) 16.397 7.311 ( -8.084 0.000 7.358) 10.931 7.454 ( 0.739 0.000 5.773) 5.821 7.678 ( -8.173 0.000 -6.431) 10.400 7.707 ( -9.913 0.000 4.465) 10.872 8.116 ( 7.886 0.000 -13.482) 15.619 8.191 ( -0.051 0.000 -9.404) 9.404 8.327 ( 0.104 0.000 2.856) 2.858 8.404 ( -1.599 0.000 1.098) 1.940 8.417 ( -8.310 0.000 1.337) 8.417 8.443 ( -6.128 0.000 -3.731) 7.175 8.777 ( 1.054 0.000 -4.048) 4.183 8.832 ( -3.260 0.000 -2.668) 4.212 9.418 ( 0.421 0.000 -3.272) 3.299 9.435 ( -1.437 0.000 -4.218) 4.456======================= Grid point 147 (53/84) =======================q-point: ( 0.00 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( 0.000 -1.628 4.677) 4.952 2.045 ( 0.000 0.838 6.267) 6.323 2.323 ( 0.000 -7.672 9.980) 12.588 2.463 ( 0.000 -8.577 15.829) 18.003 2.862 ( 0.000 9.052 5.392) 10.536 2.995 ( 0.000 8.810 -1.721) 8.977 3.301 ( 0.000 -10.619 9.280) 14.102 3.409 ( 0.000 -7.535 -1.481) 7.679 3.999 ( 0.000 15.511 15.931) 22.234 4.289 ( 0.000 -2.194 8.545) 8.822 4.367 ( 0.000 -1.748 12.160) 12.285 4.402 ( 0.000 -1.507 0.445) 1.571 4.726 ( 0.000 5.134 -4.454) 6.796 4.916 ( 0.000 1.988 -10.350) 10.539 5.030 ( 0.000 3.343 -1.530) 3.677 5.234 ( 0.000 -1.372 -2.115) 2.521 5.267 ( 0.000 4.180 2.931) 5.105 5.357 ( 0.000 1.319 -5.499) 5.655 5.585 ( 0.000 3.343 11.820) 12.284 5.708 ( 0.000 -5.234 21.377) 22.009 5.748 ( 0.000 -7.214 -1.817) 7.439 5.767 ( 0.000 2.513 -3.464) 4.280 5.901 ( 0.000 -6.281 -1.194) 6.394 5.988 ( 0.000 -0.530 9.867) 9.881 6.223 ( 0.000 11.025 10.415) 15.167 6.541 ( 0.000 -2.567 -1.656) 3.055 6.791 ( 0.000 1.201 -10.591) 10.659 7.028 ( 0.000 -3.580 5.336) 6.426 7.368 ( 0.000 1.374 -14.484) 14.548 7.443 ( 0.000 -1.041 -6.883) 6.962 7.775 ( 0.000 0.136 1.515) 1.521 7.806 ( 0.000 -3.034 9.478) 9.952 8.209 ( 0.000 4.670 9.293) 10.400 8.350 ( 0.000 -1.236 1.037) 1.614 8.367 ( 0.000 -2.191 3.879) 4.455 8.490 ( 0.000 -4.735 7.543) 8.906 8.681 ( 0.000 0.231 -1.430) 1.448 8.704 ( 0.000 -0.274 -5.103) 5.110 8.799 ( 0.000 -0.190 -3.556) 3.561 9.037 ( 0.000 -11.073 -7.611) 13.436 9.609 ( 0.000 7.929 -7.136) 10.668 9.618 ( 0.000 4.689 -5.482) 7.214======================= Grid point 148 (54/84) =======================q-point: ( 0.14 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.054 ( 2.525 -0.025 4.933) 5.542 2.098 ( 3.564 0.906 2.499) 4.446 2.391 ( 6.177 -7.971 11.165) 15.045 2.491 ( 3.320 -7.656 12.274) 14.842 2.866 ( -0.654 5.714 2.790) 6.393 3.011 ( 2.369 7.554 4.925) 9.324 3.299 ( 0.043 -6.803 7.662) 10.246 3.428 ( 1.004 -6.277 0.703) 6.396 3.904 ( -7.027 11.875 12.530) 18.639 4.096 ( -14.501 -1.022 5.845) 15.668 4.251 ( -8.636 -2.530 11.422) 14.541 4.368 ( -5.695 -2.509 10.375) 12.098 4.738 ( -0.519 9.719 -1.486) 9.846 4.929 ( -0.459 5.142 -4.167) 6.634 5.094 ( 3.034 -0.273 -2.465) 3.919 5.210 ( 0.465 -3.720 -3.008) 4.807 5.269 ( 1.658 2.703 1.163) 3.378 5.423 ( 4.320 1.572 -4.476) 6.416 5.623 ( 2.974 2.481 12.603) 13.185 5.738 ( 2.125 -2.998 -2.054) 4.209 5.825 ( 7.674 -1.546 6.933) 10.457 5.861 ( 7.976 -1.883 -1.266) 8.292 5.985 ( 2.548 -1.684 12.334) 12.706 6.066 ( 12.815 -4.692 -0.640) 13.662 6.277 ( 5.378 8.168 7.859) 12.546 6.585 ( 3.662 -3.634 1.623) 5.409 6.795 ( 1.424 2.412 -7.620) 8.119 6.998 ( -0.518 -1.507 0.891) 1.825 7.402 ( 2.471 2.024 -14.146) 14.502 7.587 ( 11.190 -3.567 -8.395) 14.436 7.723 ( -5.029 0.012 3.922) 6.377 7.789 ( -1.351 -2.720 8.024) 8.579 8.136 ( -6.354 4.640 10.058) 12.770 8.294 ( -5.363 -1.235 2.707) 6.133 8.345 ( -0.994 -1.840 1.459) 2.550 8.457 ( -3.322 -5.988 4.895) 8.418 8.658 ( -2.142 2.040 -1.804) 3.465 8.707 ( -0.668 0.751 -4.599) 4.708 8.820 ( 1.639 -1.827 -2.705) 3.653 8.977 ( -5.961 -9.169 -8.066) 13.589 9.552 ( -3.968 7.075 -5.214) 9.643 9.599 ( -2.564 4.426 -5.902) 7.810======================= Grid point 149 (55/84) =======================q-point: ( 0.29 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.132 ( 4.487 1.238 0.217) 4.660 2.172 ( 3.423 1.729 -2.517) 4.587 2.522 ( 6.139 -4.769 13.397) 15.489 2.633 ( 10.075 -7.164 5.378) 13.481 2.837 ( -1.257 2.910 4.205) 5.266 3.067 ( 1.710 -0.439 11.289) 11.426 3.313 ( 1.197 1.413 6.870) 7.116 3.406 ( -3.417 -2.702 8.773) 9.795 3.767 ( -8.352 3.387 7.596) 11.787 3.815 ( -9.680 0.475 11.821) 15.286 4.120 ( -2.865 -0.646 6.834) 7.438 4.212 ( -7.781 -3.712 11.867) 14.668 4.647 ( -6.992 11.807 8.379) 16.078 4.851 ( -6.553 2.078 2.813) 7.428 5.184 ( 5.257 -1.310 -4.313) 6.925 5.215 ( -0.195 -0.597 -0.751) 0.979 5.347 ( 3.872 1.910 -1.998) 4.757 5.440 ( -2.364 -0.978 -2.096) 3.307 5.681 ( 2.953 -0.601 6.321) 7.002 5.801 ( 2.787 4.581 -4.848) 7.229 5.964 ( 5.061 1.382 1.752) 5.531 6.027 ( 7.212 -0.497 -0.904) 7.286 6.149 ( 12.916 -4.656 7.882) 15.831 6.361 ( 14.223 1.444 9.164) 16.981 6.442 ( 10.442 -2.512 -4.452) 11.626 6.653 ( 3.058 -4.083 11.222) 12.327 6.896 ( 8.128 2.027 -8.698) 12.076 7.066 ( 7.392 0.873 -4.517) 8.706 7.425 ( -0.569 0.558 -7.747) 7.788 7.538 ( -10.993 -1.877 6.047) 12.686 7.753 ( -1.761 -1.519 1.464) 2.748 7.855 ( 11.732 -2.100 -7.977) 14.342 7.981 ( -8.929 3.395 8.197) 12.587 8.185 ( -4.205 -2.940 -0.610) 5.166 8.319 ( -1.284 -1.180 1.914) 2.589 8.387 ( -2.647 -4.454 1.569) 5.414 8.584 ( -5.218 2.259 -0.384) 5.699 8.649 ( -6.479 0.655 -5.020) 8.222 8.809 ( -4.800 -2.648 -5.933) 8.078 8.852 ( -2.078 -2.661 -3.282) 4.708 9.482 ( -2.455 4.798 -3.893) 6.648 9.532 ( -3.490 3.156 -5.273) 7.068======================= Grid point 150 (56/84) =======================q-point: ( 0.43 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.208 ( 2.484 1.608 -5.495) 6.241 2.222 ( 1.088 1.603 -6.826) 7.095 2.652 ( 6.372 -0.058 9.667) 11.579 2.745 ( -1.688 3.455 8.027) 8.900 2.908 ( 8.931 -8.603 3.982) 13.024 3.049 ( -3.829 -5.991 8.769) 11.289 3.311 ( -1.256 2.667 15.316) 15.597 3.329 ( -3.156 0.672 14.718) 15.067 3.636 ( -1.226 -0.182 15.123) 15.174 3.687 ( -4.948 -1.397 14.678) 15.553 4.087 ( -0.372 2.317 8.134) 8.466 4.126 ( -2.264 0.990 -4.091) 4.779 4.564 ( 1.498 5.314 12.953) 14.081 4.691 ( -8.584 0.710 7.346) 11.320 5.215 ( 0.732 0.334 0.355) 0.880 5.238 ( -0.624 -0.791 -1.000) 1.419 5.389 ( 1.288 0.239 -3.099) 3.365 5.410 ( -0.375 -1.454 -4.815) 5.044 5.749 ( 3.580 2.737 3.782) 5.883 5.811 ( -1.892 7.295 0.071) 7.536 6.054 ( 4.189 -0.118 -1.146) 4.344 6.107 ( 0.051 0.872 -2.018) 2.199 6.417 ( 11.329 -3.074 1.814) 11.878 6.532 ( 1.310 1.954 4.097) 4.725 6.665 ( 8.756 -5.554 -0.685) 10.391 6.722 ( 2.474 -2.291 10.458) 10.988 7.062 ( 7.839 -2.134 -5.945) 10.068 7.217 ( -1.803 -4.849 -3.112) 6.037 7.342 ( 1.022 2.317 4.942) 5.553 7.420 ( -0.838 -2.495 6.433) 6.951 7.690 ( -2.596 3.309 -5.016) 6.546 7.777 ( -9.931 3.914 1.792) 10.824 8.057 ( 7.187 -4.363 -11.926) 14.592 8.139 ( -1.580 -4.787 -9.280) 10.561 8.313 ( 1.571 -0.116 3.319) 3.674 8.372 ( 0.676 -1.549 1.615) 2.338 8.441 ( -7.352 1.869 0.533) 7.604 8.482 ( -6.592 1.670 0.036) 6.801 8.770 ( 0.851 -0.306 -4.504) 4.594 8.812 ( -2.510 -1.520 -3.261) 4.387 9.456 ( -0.173 2.781 -4.082) 4.942 9.474 ( -1.929 2.429 -4.651) 5.591======================= Grid point 154 (57/84) =======================q-point: ( 0.00 -0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.032 ( 0.000 -1.161 5.527) 5.647 2.032 ( 0.000 1.161 5.527) 5.647 2.294 ( 0.000 -4.888 14.009) 14.837 2.294 ( 0.000 4.888 14.009) 14.837 3.067 ( 0.000 -9.892 3.831) 10.608 3.067 ( 0.000 9.892 3.831) 10.608 3.215 ( 0.000 -9.810 0.967) 9.857 3.215 ( 0.000 9.810 0.967) 9.857 4.223 ( 0.000 -4.648 13.532) 14.308 4.223 ( 0.000 4.648 13.532) 14.308 4.368 ( 0.000 -1.530 2.593) 3.011 4.368 ( 0.000 1.530 2.593) 3.011 4.870 ( 0.000 -6.623 1.216) 6.733 4.870 ( 0.000 6.623 1.216) 6.733 5.153 ( 0.000 -5.091 1.519) 5.313 5.153 ( 0.000 5.091 1.519) 5.313 5.336 ( 0.000 -3.614 -5.626) 6.686 5.336 ( 0.000 3.614 -5.626) 6.686 5.607 ( 0.000 -0.490 -1.211) 1.306 5.607 ( 0.000 0.490 -1.211) 1.306 5.743 ( 0.000 -3.114 5.576) 6.386 5.743 ( 0.000 3.114 5.576) 6.386 5.915 ( 0.000 -5.687 9.636) 11.189 5.915 ( 0.000 5.687 9.636) 11.189 6.446 ( 0.000 -7.179 6.516) 9.696 6.446 ( 0.000 7.179 6.516) 9.696 6.876 ( 0.000 -7.249 -5.399) 9.038 6.876 ( 0.000 7.249 -5.399) 9.038 7.409 ( 0.000 -1.925 -10.203) 10.383 7.409 ( 0.000 1.925 -10.203) 10.383 7.773 ( 0.000 -0.038 5.235) 5.235 7.773 ( 0.000 0.038 5.235) 5.235 8.315 ( 0.000 -2.517 2.164) 3.319 8.315 ( 0.000 2.517 2.164) 3.319 8.368 ( 0.000 -4.405 8.020) 9.150 8.368 ( 0.000 4.405 8.020) 9.150 8.687 ( 0.000 -0.943 -0.862) 1.277 8.687 ( 0.000 0.943 -0.862) 1.277 8.858 ( 0.000 -5.130 -6.048) 7.931 8.858 ( 0.000 5.130 -6.048) 7.931 9.689 ( 0.000 -0.512 -6.819) 6.838 9.689 ( 0.000 0.512 -6.819) 6.838======================= Grid point 156 (58/84) =======================q-point: ( 0.14 -0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.081 ( 4.353 -2.278 2.922) 5.716 2.081 ( 4.353 2.278 2.922) 5.716 2.340 ( 4.620 -3.990 12.869) 14.244 2.340 ( 4.620 3.990 12.869) 14.244 3.019 ( -3.137 -6.719 4.587) 8.719 3.019 ( -3.137 6.719 4.587) 8.719 3.286 ( 4.976 -5.942 3.151) 8.366 3.286 ( 4.976 5.942 3.151) 8.366 4.060 ( -12.325 -2.870 10.153) 16.224 4.060 ( -12.325 2.870 10.153) 16.224 4.288 ( -7.445 -4.736 8.764) 12.437 4.288 ( -7.445 4.736 8.764) 12.437 4.938 ( 1.925 -6.318 1.288) 6.729 4.938 ( 1.925 6.318 1.288) 6.729 5.128 ( -0.562 -2.653 -1.822) 3.267 5.128 ( -0.562 2.653 -1.822) 3.267 5.351 ( 2.855 -5.971 -1.447) 6.775 5.351 ( 2.855 5.971 -1.447) 6.775 5.675 ( 3.679 -1.431 2.704) 4.785 5.675 ( 3.679 1.431 2.704) 4.785 5.864 ( 8.454 -2.387 9.057) 12.617 5.864 ( 8.454 2.387 9.057) 12.617 5.950 ( 7.072 -2.806 -3.620) 8.426 5.950 ( 7.072 2.806 -3.620) 8.426 6.476 ( 2.642 -7.254 10.016) 12.645 6.476 ( 2.642 7.254 10.016) 12.645 6.887 ( 2.152 -6.370 -6.331) 9.235 6.887 ( 2.152 6.370 -6.331) 9.235 7.478 ( 4.423 -4.692 -10.465) 12.292 7.478 ( 4.423 4.692 -10.465) 12.292 7.746 ( -1.429 -1.714 4.426) 4.956 7.746 ( -1.429 1.714 4.426) 4.956 8.248 ( -7.167 -4.052 7.951) 11.445 8.248 ( -7.167 4.052 7.951) 11.445 8.337 ( -1.134 -2.692 1.648) 3.354 8.337 ( -1.134 2.692 1.648) 3.354 8.702 ( -0.013 -1.399 -0.999) 1.720 8.702 ( -0.013 1.399 -0.999) 1.720 8.831 ( -2.202 -3.417 -5.687) 6.990 8.831 ( -2.202 3.417 -5.687) 6.990 9.646 ( -3.850 -1.055 -6.285) 7.446 9.646 ( -3.850 1.055 -6.285) 7.446======================= Grid point 158 (59/84) =======================q-point: ( 0.29 -0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.178 ( 4.367 -1.806 -3.385) 5.813 2.178 ( 4.367 1.806 -3.385) 5.813 2.487 ( 9.721 -3.221 10.295) 14.522 2.487 ( 9.721 3.221 10.295) 14.522 2.963 ( -2.616 -6.786 6.391) 9.682 2.963 ( -2.616 6.786 6.391) 9.682 3.361 ( 1.587 -2.113 11.286) 11.591 3.361 ( 1.587 2.113 11.286) 11.591 3.815 ( -10.885 -0.691 10.281) 14.989 3.815 ( -10.885 0.691 10.281) 14.989 4.144 ( -4.598 -2.778 7.420) 9.160 4.144 ( -4.598 2.778 7.420) 9.160 4.842 ( -8.781 -4.444 7.233) 12.214 4.842 ( -8.781 4.444 7.233) 12.214 5.187 ( 3.462 -1.360 -2.784) 4.646 5.187 ( 3.462 1.360 -2.784) 4.646 5.392 ( 0.311 -2.829 -2.672) 3.904 5.392 ( 0.311 2.829 -2.672) 3.904 5.753 ( 5.350 -6.112 5.973) 10.082 5.753 ( 5.350 6.112 5.973) 10.082 6.017 ( 6.016 -1.605 1.353) 6.371 6.017 ( 6.016 1.605 1.353) 6.371 6.196 ( 14.016 -9.438 -6.366) 18.057 6.196 ( 14.016 9.438 -6.366) 18.057 6.552 ( 5.169 -5.958 14.138) 16.190 6.552 ( 5.169 5.958 14.138) 16.190 6.987 ( 6.865 -5.997 -8.396) 12.393 6.987 ( 6.865 5.997 -8.396) 12.393 7.465 ( -5.436 -3.038 -1.940) 6.523 7.465 ( -5.436 3.038 -1.940) 6.523 7.792 ( 4.666 -3.516 -3.771) 6.954 7.792 ( 4.666 3.516 -3.771) 6.954 8.079 ( -7.700 -5.335 5.431) 10.828 8.079 ( -7.700 5.335 5.431) 10.828 8.323 ( -0.240 -1.447 0.992) 1.771 8.323 ( -0.240 1.447 0.992) 1.771 8.633 ( -6.656 -2.016 -1.538) 7.123 8.633 ( -6.656 2.016 -1.538) 7.123 8.798 ( -1.075 -1.611 -4.299) 4.715 8.798 ( -1.075 1.611 -4.299) 4.715 9.559 ( -4.037 -1.258 -5.333) 6.806 9.559 ( -4.037 1.258 -5.333) 6.806======================= Grid point 160 (60/84) =======================q-point: ( 0.43 -0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.240 ( 1.596 -0.526 -8.303) 8.472 2.240 ( 1.596 0.526 -8.303) 8.472 2.706 ( 10.623 -5.427 7.078) 13.871 2.706 ( 10.623 5.427 7.078) 13.871 2.887 ( -5.634 -6.739 5.746) 10.496 2.887 ( -5.634 6.739 5.746) 10.496 3.352 ( -1.316 -0.514 21.401) 21.448 3.352 ( -1.316 0.514 21.401) 21.448 3.647 ( -4.786 -1.488 17.337) 18.047 3.647 ( -4.786 1.488 17.337) 18.047 4.130 ( 1.748 -1.095 -5.061) 5.465 4.130 ( 1.748 1.095 -5.061) 5.465 4.666 ( -6.404 -3.150 13.655) 15.407 4.666 ( -6.404 3.150 13.655) 15.407 5.224 ( 0.534 -0.505 0.356) 0.817 5.224 ( 0.534 0.505 0.356) 0.817 5.388 ( -0.190 -0.264 -5.596) 5.605 5.388 ( -0.190 0.264 -5.596) 5.605 5.878 ( 5.393 -5.894 5.390) 9.637 5.878 ( 5.393 5.894 5.390) 9.637 6.052 ( -1.584 -4.484 -2.697) 5.467 6.052 ( -1.584 4.484 -2.697) 5.467 6.477 ( 11.932 -7.803 -0.523) 14.266 6.477 ( 11.932 7.803 -0.523) 14.266 6.639 ( 0.671 -5.199 7.803) 9.401 6.639 ( 0.671 5.199 7.803) 9.401 7.089 ( 1.687 -4.538 -6.691) 8.259 7.089 ( 1.687 4.538 -6.691) 8.259 7.377 ( -1.167 -1.350 4.345) 4.697 7.377 ( -1.167 1.350 4.345) 4.697 7.795 ( -3.501 -3.897 -1.853) 5.556 7.795 ( -3.501 3.897 -1.853) 5.556 8.024 ( 1.329 -3.504 -8.167) 8.985 8.024 ( 1.329 3.504 -8.167) 8.985 8.334 ( 1.366 -1.664 2.094) 3.003 8.334 ( 1.366 1.664 2.094) 3.003 8.486 ( -5.994 -1.399 1.595) 6.359 8.486 ( -5.994 1.399 1.595) 6.359 8.778 ( -0.669 -1.137 -4.492) 4.681 8.778 ( -0.669 1.137 -4.492) 4.681 9.501 ( -1.514 -0.526 -4.862) 5.120 9.501 ( -1.514 0.526 -4.862) 5.120======================= Grid point 175 (61/84) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.965 ( 0.000 0.000 -10.039) 10.039 2.018 ( 0.000 0.000 -7.419) 7.419 2.559 ( 0.000 0.000 2.948) 2.948 2.824 ( 0.000 0.000 -1.713) 1.713 2.907 ( 0.000 0.000 10.259) 10.259 2.971 ( 0.000 0.000 20.178) 20.178 3.449 ( 0.000 0.000 -2.420) 2.420 3.563 ( 0.000 0.000 -1.567) 1.567 4.110 ( 0.000 0.000 20.764) 20.764 4.370 ( 0.000 0.000 -0.445) 0.445 4.405 ( 0.000 0.000 -10.939) 10.939 4.521 ( 0.000 0.000 7.050) 7.050 4.588 ( 0.000 0.000 -12.233) 12.233 4.750 ( 0.000 0.000 12.420) 12.420 4.770 ( 0.000 0.000 -13.862) 13.862 5.175 ( 0.000 0.000 -2.686) 2.686 5.314 ( 0.000 0.000 4.077) 4.077 5.372 ( 0.000 0.000 -18.075) 18.075 5.442 ( 0.000 0.000 14.669) 14.669 5.812 ( 0.000 0.000 -5.429) 5.429 5.883 ( 0.000 0.000 -6.152) 6.152 5.958 ( 0.000 0.000 18.211) 18.211 6.038 ( 0.000 0.000 3.899) 3.899 6.104 ( 0.000 0.000 6.325) 6.325 6.497 ( 0.000 0.000 -3.046) 3.046 6.563 ( 0.000 0.000 -1.665) 1.665 6.758 ( 0.000 0.000 31.676) 31.676 7.020 ( 0.000 0.000 -17.359) 17.359 7.343 ( 0.000 0.000 20.366) 20.366 7.378 ( 0.000 0.000 -2.138) 2.138 7.780 ( 0.000 0.000 0.488) 0.488 8.037 ( 0.000 0.000 9.207) 9.207 8.334 ( 0.000 0.000 7.509) 7.509 8.374 ( 0.000 0.000 -0.495) 0.495 8.496 ( 0.000 0.000 3.940) 3.940 8.528 ( 0.000 0.000 -10.240) 10.240 8.533 ( 0.000 0.000 -9.699) 9.699 8.683 ( 0.000 0.000 5.343) 5.343 8.791 ( 0.000 0.000 -0.891) 0.891 8.924 ( 0.000 0.000 -20.652) 20.652 9.402 ( 0.000 0.000 0.214) 0.214 9.458 ( 0.000 0.000 -4.392) 4.392======================= Grid point 176 (62/84) =======================q-point: ( 0.14 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( 0.571 0.000 -10.943) 10.958 2.014 ( -0.357 0.000 -8.568) 8.575 2.628 ( 6.567 0.000 2.859) 7.162 2.833 ( 1.057 0.000 -0.857) 1.361 2.910 ( -0.219 0.000 12.602) 12.604 3.003 ( 3.455 0.000 13.403) 13.842 3.502 ( 4.939 0.000 -0.691) 4.988 3.555 ( -0.727 0.000 0.773) 1.061 3.936 ( -12.958 0.000 15.406) 20.131 4.177 ( -9.413 0.000 2.802) 9.821 4.423 ( -5.452 0.000 -4.859) 7.303 4.624 ( 6.041 0.000 11.280) 12.795 4.681 ( 10.689 0.000 -10.687) 15.115 4.708 ( -3.919 0.000 14.995) 15.498 4.893 ( 7.146 0.000 -13.089) 14.912 5.190 ( 1.143 0.000 -3.105) 3.309 5.300 ( 0.615 0.000 0.743) 0.965 5.412 ( -2.565 0.000 13.087) 13.336 5.435 ( 3.680 0.000 -17.459) 17.843 5.859 ( 3.616 0.000 -4.623) 5.870 5.913 ( 1.184 0.000 -6.160) 6.272 5.959 ( 0.390 0.000 14.214) 14.219 6.001 ( 0.511 0.000 2.458) 2.511 6.216 ( 9.718 0.000 5.166) 11.006 6.566 ( 6.612 0.000 -3.021) 7.269 6.604 ( 3.637 0.000 -0.383) 3.657 6.722 ( -2.896 0.000 13.428) 13.736 7.115 ( 8.217 0.000 -2.139) 8.491 7.239 ( -3.706 0.000 16.745) 17.150 7.533 ( 9.011 0.000 -1.147) 9.083 7.747 ( -3.372 0.000 0.471) 3.405 8.019 ( -1.849 0.000 9.040) 9.227 8.273 ( -5.698 0.000 8.622) 10.335 8.325 ( -4.892 0.000 -0.278) 4.900 8.452 ( -2.750 0.000 3.886) 4.761 8.503 ( -2.181 0.000 -9.172) 9.427 8.530 ( -0.826 0.000 -9.993) 10.027 8.641 ( -4.150 0.000 4.820) 6.360 8.823 ( 2.019 0.000 -1.460) 2.491 8.831 ( -8.197 0.000 -18.135) 19.901 9.396 ( -0.566 0.000 -0.209) 0.603 9.438 ( -1.796 0.000 -4.230) 4.596======================= Grid point 177 (63/84) =======================q-point: ( 0.29 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( 0.450 0.000 -13.024) 13.032 2.005 ( -0.516 0.000 -11.193) 11.205 2.792 ( 6.855 0.000 5.489) 8.782 2.892 ( 6.933 0.000 -1.359) 7.065 2.899 ( -0.695 0.000 12.659) 12.678 3.097 ( 5.238 0.000 3.902) 6.532 3.529 ( -2.279 0.000 3.554) 4.222 3.602 ( -1.122 0.000 14.810) 14.852 3.708 ( -3.080 0.000 -2.660) 4.070 4.021 ( -6.136 0.000 12.233) 13.685 4.335 ( -1.722 0.000 6.458) 6.684 4.577 ( -7.086 0.000 21.894) 23.012 4.717 ( 1.542 0.000 12.503) 12.598 4.823 ( -0.298 0.000 -2.180) 2.200 5.035 ( 8.758 0.000 -11.078) 14.122 5.216 ( 1.063 0.000 -2.591) 2.800 5.328 ( 1.438 0.000 -6.578) 6.733 5.347 ( -3.128 0.000 6.980) 7.649 5.499 ( 3.181 0.000 -14.120) 14.474 5.908 ( 0.559 0.000 -0.698) 0.894 5.910 ( -0.664 0.000 3.616) 3.676 5.977 ( 1.634 0.000 -0.359) 1.673 6.124 ( 9.162 0.000 -9.245) 13.016 6.474 ( 14.572 0.000 4.136) 15.147 6.599 ( -5.205 0.000 0.226) 5.210 6.743 ( 5.543 0.000 -5.775) 8.005 6.767 ( 13.426 0.000 -4.871) 14.282 7.203 ( 1.208 0.000 20.499) 20.535 7.338 ( 12.099 0.000 7.634) 14.306 7.640 ( -7.014 0.000 2.835) 7.565 7.704 ( 6.215 0.000 -7.717) 9.909 7.947 ( -5.248 0.000 6.591) 8.425 8.119 ( -9.334 0.000 9.609) 13.396 8.199 ( -6.657 0.000 0.239) 6.661 8.401 ( -2.361 0.000 2.160) 3.199 8.433 ( -4.984 0.000 -9.068) 10.348 8.484 ( -3.432 0.000 -7.502) 8.250 8.533 ( -5.793 0.000 4.205) 7.159 8.681 ( -3.794 0.000 -10.049) 10.742 8.834 ( -1.310 0.000 -2.582) 2.896 9.381 ( -0.880 0.000 -1.185) 1.476 9.395 ( -2.092 0.000 -3.578) 4.145======================= Grid point 178 (64/84) =======================q-point: ( 0.43 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.990 ( 0.234 0.000 -14.398) 14.400 1.995 ( -0.353 0.000 -13.650) 13.655 2.860 ( 1.661 0.000 7.685) 7.862 2.884 ( -0.865 0.000 10.218) 10.254 3.115 ( 11.190 0.000 -0.759) 11.216 3.195 ( 3.411 0.000 0.182) 3.416 3.445 ( -5.421 0.000 2.454) 5.951 3.447 ( -6.705 0.000 7.348) 9.948 3.817 ( 6.335 0.000 7.363) 9.713 3.916 ( -4.299 0.000 16.699) 17.244 4.367 ( 3.745 0.000 18.437) 18.814 4.448 ( -4.788 0.000 20.808) 21.352 4.706 ( -1.527 0.000 12.276) 12.371 4.734 ( -4.990 0.000 2.193) 5.451 5.172 ( 3.485 0.000 -6.350) 7.243 5.212 ( -1.222 0.000 -0.998) 1.578 5.330 ( 1.428 0.000 -1.756) 2.263 5.356 ( 0.173 0.000 -2.931) 2.936 5.606 ( 8.665 0.000 -10.019) 13.247 5.807 ( -8.861 0.000 -0.483) 8.874 5.947 ( 2.633 0.000 -2.288) 3.488 5.989 ( -1.021 0.000 -3.685) 3.824 6.318 ( 9.207 0.000 -13.525) 16.361 6.479 ( -6.582 0.000 -11.305) 13.082 6.739 ( 9.733 0.000 2.581) 10.070 6.828 ( 1.005 0.000 -1.720) 1.992 7.101 ( 17.770 0.000 -7.686) 19.361 7.255 ( 2.797 0.000 12.001) 12.323 7.489 ( -6.154 0.000 8.875) 10.799 7.567 ( -3.033 0.000 -0.641) 3.100 7.641 ( 2.253 0.000 9.925) 10.178 7.891 ( -12.837 0.000 11.583) 17.290 7.951 ( 5.732 0.000 -3.811) 6.883 8.073 ( -5.911 0.000 -2.812) 6.546 8.348 ( -1.823 0.000 -4.828) 5.161 8.357 ( -1.875 0.000 -1.169) 2.209 8.430 ( -1.561 0.000 -0.876) 1.790 8.438 ( -2.793 0.000 3.356) 4.366 8.688 ( 3.272 0.000 -5.408) 6.321 8.773 ( -4.261 0.000 -3.656) 5.615 9.365 ( -0.536 0.000 -2.132) 2.198 9.365 ( -0.722 0.000 -2.836) 2.926======================= Grid point 182 (65/84) =======================q-point: ( 0.00 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.970 ( 0.000 0.468 -9.319) 9.331 2.011 ( 0.000 -0.690 -7.910) 7.940 2.510 ( 0.000 -1.332 8.404) 8.509 2.819 ( 0.000 -11.461 18.508) 21.770 2.898 ( 0.000 6.658 -0.019) 6.658 3.051 ( 0.000 9.705 5.671) 11.240 3.340 ( 0.000 -10.510 -1.646) 10.638 3.424 ( 0.000 -6.192 2.246) 6.587 4.274 ( 0.000 7.026 8.436) 10.978 4.373 ( 0.000 -0.051 -0.085) 0.099 4.411 ( 0.000 -0.147 -4.847) 4.849 4.435 ( 0.000 -3.165 0.419) 3.193 4.745 ( 0.000 6.197 2.661) 6.744 4.745 ( 0.000 9.174 -4.499) 10.218 4.970 ( 0.000 12.350 1.400) 12.429 5.125 ( 0.000 -2.512 -3.424) 4.246 5.251 ( 0.000 -7.370 -10.456) 12.792 5.353 ( 0.000 0.070 1.970) 1.971 5.518 ( 0.000 3.042 4.743) 5.635 5.688 ( 0.000 -4.496 -3.321) 5.590 5.908 ( 0.000 -8.646 5.133) 10.055 5.943 ( 0.000 -6.562 4.459) 7.934 6.076 ( 0.000 8.810 -1.989) 9.032 6.090 ( 0.000 4.814 15.324) 16.063 6.498 ( 0.000 0.584 -2.302) 2.375 6.597 ( 0.000 1.976 -8.539) 8.765 6.745 ( 0.000 0.415 33.466) 33.469 7.059 ( 0.000 1.129 -13.711) 13.758 7.281 ( 0.000 -4.686 17.999) 18.599 7.346 ( 0.000 -2.776 -2.703) 3.875 7.801 ( 0.000 1.852 1.191) 2.202 7.974 ( 0.000 -5.137 7.664) 9.227 8.336 ( 0.000 -0.755 1.821) 1.972 8.349 ( 0.000 -1.742 -1.324) 2.188 8.431 ( 0.000 0.102 2.980) 2.981 8.546 ( 0.000 0.808 -6.285) 6.336 8.621 ( 0.000 3.806 -2.792) 4.720 8.660 ( 0.000 -1.641 3.013) 3.431 8.753 ( 0.000 -2.445 -0.596) 2.516 8.820 ( 0.000 -6.582 -14.235) 15.684 9.496 ( 0.000 5.354 -4.055) 6.717 9.509 ( 0.000 3.503 -5.230) 6.295======================= Grid point 183 (66/84) =======================q-point: ( 0.14 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( 0.548 0.457 -10.378) 10.402 2.010 ( -0.103 -0.420 -9.280) 9.290 2.564 ( 5.364 -2.541 7.235) 9.358 2.797 ( -1.263 -9.245 14.879) 17.563 2.906 ( 0.544 5.382 2.430) 5.930 3.100 ( 4.064 7.279 4.296) 9.378 3.361 ( 1.448 -9.695 0.507) 9.815 3.467 ( 4.484 -4.159 2.241) 6.513 4.128 ( -10.844 7.986 9.045) 16.223 4.181 ( -8.947 0.761 4.572) 10.077 4.362 ( -6.136 -0.320 3.985) 7.324 4.580 ( 4.832 -3.881 2.605) 6.723 4.767 ( 3.700 8.396 3.291) 9.748 4.875 ( 8.197 6.553 -5.463) 11.831 4.970 ( -0.464 9.005 0.250) 9.020 5.142 ( 1.708 -3.134 -2.260) 4.224 5.268 ( 0.563 -5.860 -5.758) 8.235 5.347 ( 1.156 1.769 -1.776) 2.761 5.567 ( 3.270 3.763 -2.680) 5.660 5.741 ( 4.782 -5.701 -2.921) 7.994 5.856 ( -4.099 -3.859 3.719) 6.747 5.979 ( 2.200 -0.171 3.427) 4.076 6.114 ( 6.822 -2.414 2.844) 7.775 6.134 ( 2.706 3.495 6.687) 8.015 6.564 ( 6.298 0.860 -1.756) 6.594 6.633 ( 3.734 1.654 -7.377) 8.431 6.733 ( -1.308 2.431 20.960) 21.141 7.144 ( 6.831 -1.242 -1.028) 7.019 7.219 ( -1.934 0.360 13.920) 14.059 7.456 ( 7.133 -6.534 -4.019) 10.475 7.763 ( -3.585 1.580 1.112) 4.073 7.945 ( -2.746 -5.804 6.880) 9.411 8.300 ( -3.188 0.164 1.874) 3.702 8.328 ( -4.791 2.784 4.851) 7.365 8.364 ( -2.813 -3.404 -0.404) 4.435 8.526 ( -2.545 -1.405 -2.531) 3.855 8.579 ( -3.511 2.399 -2.555) 4.961 8.640 ( -1.870 1.592 -1.011) 2.656 8.757 ( -5.083 -4.544 -11.970) 13.776 8.786 ( 1.501 -3.142 -2.959) 4.569 9.468 ( -2.272 4.407 -3.232) 5.919 9.490 ( -1.910 3.438 -4.829) 6.228======================= Grid point 184 (67/84) =======================q-point: ( 0.29 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 0.395 0.376 -12.750) 12.762 2.005 ( -0.358 -0.026 -12.050) 12.056 2.719 ( 9.067 -4.886 5.177) 11.527 2.797 ( 1.820 -6.978 10.704) 12.906 2.911 ( -0.325 3.967 3.535) 5.324 3.177 ( 2.010 -0.249 1.595) 2.578 3.390 ( 2.240 -1.083 1.810) 3.077 3.599 ( 7.768 -2.468 6.123) 10.194 3.919 ( -8.946 10.848 9.796) 17.137 4.040 ( -5.288 1.698 12.219) 13.422 4.244 ( -3.925 -2.820 10.874) 11.899 4.536 ( -7.481 -6.443 14.965) 17.929 4.846 ( 1.324 8.231 7.556) 11.251 4.911 ( -3.452 7.612 5.320) 9.907 5.053 ( 8.016 2.095 -8.481) 11.857 5.204 ( 4.108 -2.818 -1.156) 5.114 5.284 ( 1.421 -0.518 -5.379) 5.587 5.365 ( -1.399 1.103 -3.337) 3.783 5.612 ( 2.089 4.968 -9.024) 10.511 5.788 ( -1.980 0.408 0.053) 2.022 5.863 ( 6.447 -7.173 -5.195) 10.955 6.044 ( 3.057 1.622 -0.076) 3.461 6.180 ( 3.861 2.730 -1.350) 4.917 6.359 ( 15.053 -8.616 2.275) 17.493 6.659 ( -5.278 6.915 3.623) 9.423 6.745 ( 10.751 -0.573 -3.346) 11.274 6.748 ( 5.904 0.178 -5.158) 7.842 7.188 ( 1.076 -3.629 17.036) 17.451 7.351 ( 10.313 1.249 6.102) 12.048 7.557 ( -0.122 -9.321 -4.498) 10.350 7.692 ( -1.342 2.271 -1.047) 2.838 7.877 ( -2.897 -4.668 3.417) 6.470 8.160 ( -9.996 2.721 8.997) 13.721 8.207 ( -6.583 0.433 1.964) 6.883 8.340 ( -0.740 -1.433 -0.593) 1.718 8.441 ( -3.877 -2.408 3.125) 5.531 8.510 ( -3.974 1.366 -5.855) 7.207 8.561 ( -5.809 2.570 -3.708) 7.355 8.666 ( -1.874 -0.471 -8.240) 8.463 8.795 ( -1.110 -3.140 -3.050) 4.516 9.420 ( -2.121 2.995 -2.522) 4.452 9.441 ( -2.535 2.713 -3.703) 5.244======================= Grid point 185 (68/84) =======================q-point: ( 0.43 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( 0.216 0.251 -14.471) 14.474 1.998 ( -0.330 0.152 -14.214) 14.219 2.829 ( 3.049 -2.555 8.115) 9.038 2.885 ( -2.234 1.153 4.806) 5.424 2.942 ( 10.140 -7.934 1.443) 12.955 3.124 ( -6.849 -8.111 0.310) 10.620 3.502 ( 8.458 9.461 3.998) 13.305 3.674 ( -5.676 9.309 15.905) 19.283 3.837 ( 4.731 1.917 1.734) 5.391 3.947 ( -4.353 1.890 14.614) 15.365 4.232 ( 2.549 -6.340 19.082) 20.269 4.351 ( -8.908 -8.231 16.297) 20.315 4.823 ( -0.866 8.257 12.155) 14.720 4.852 ( -2.681 6.021 8.186) 10.510 5.187 ( 4.826 1.675 -3.630) 6.267 5.258 ( -1.058 1.779 2.572) 3.302 5.308 ( 0.548 -1.209 -4.320) 4.519 5.316 ( -0.595 -2.865 -3.797) 4.793 5.683 ( 4.380 4.160 -11.638) 13.112 5.755 ( -2.201 2.177 -6.209) 6.938 5.977 ( 4.755 -1.953 -3.970) 6.495 6.054 ( -2.254 2.516 -1.846) 3.849 6.311 ( 8.759 1.362 -9.101) 12.705 6.501 ( -9.015 4.801 -8.744) 13.446 6.676 ( 13.408 -6.880 2.621) 15.297 6.825 ( -0.486 -0.796 -0.694) 1.163 6.980 ( 11.650 -5.699 -5.035) 13.913 7.178 ( -5.359 -9.706 0.976) 11.130 7.459 ( 1.991 0.638 7.725) 8.003 7.565 ( -2.750 -3.741 5.703) 7.354 7.684 ( 6.988 5.971 6.532) 11.276 7.909 ( 4.733 -3.144 -1.495) 5.876 7.926 ( -11.915 2.199 8.619) 14.870 8.049 ( -7.846 -2.194 0.051) 8.147 8.342 ( 1.356 0.560 -0.275) 1.493 8.404 ( -4.315 2.428 -3.064) 5.823 8.417 ( 0.477 -0.876 2.656) 2.837 8.467 ( -3.612 2.075 -2.175) 4.699 8.676 ( 2.447 -0.654 -5.435) 5.996 8.744 ( -3.524 -2.337 -4.014) 5.830 9.392 ( -0.559 2.097 -2.582) 3.373 9.400 ( -1.340 2.055 -2.886) 3.788======================= Grid point 189 (69/84) =======================q-point: ( 0.00 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.988 ( 0.000 -1.118 -8.358) 8.432 1.988 ( 0.000 1.118 -8.358) 8.432 2.581 ( 0.000 -7.912 14.147) 16.209 2.581 ( 0.000 7.912 14.147) 16.209 3.095 ( 0.000 -10.469 0.576) 10.484 3.095 ( 0.000 10.469 0.576) 10.484 3.263 ( 0.000 -8.650 3.194) 9.221 3.263 ( 0.000 8.650 3.194) 9.221 4.357 ( 0.000 -1.700 0.316) 1.729 4.357 ( 0.000 1.700 0.316) 1.729 4.399 ( 0.000 -0.030 -0.936) 0.937 4.399 ( 0.000 0.030 -0.936) 0.937 4.903 ( 0.000 -0.765 4.511) 4.575 4.903 ( 0.000 0.765 4.511) 4.575 5.065 ( 0.000 -1.448 -10.010) 10.114 5.065 ( 0.000 1.448 -10.010) 10.114 5.292 ( 0.000 -8.530 4.617) 9.699 5.292 ( 0.000 8.530 4.617) 9.699 5.558 ( 0.000 -3.713 -0.713) 3.781 5.558 ( 0.000 3.713 -0.713) 3.781 5.819 ( 0.000 -1.833 2.227) 2.885 5.819 ( 0.000 1.833 2.227) 2.885 6.186 ( 0.000 -0.395 8.400) 8.409 6.186 ( 0.000 0.395 8.400) 8.409 6.552 ( 0.000 -4.228 -0.073) 4.229 6.552 ( 0.000 4.228 -0.073) 4.229 6.911 ( 0.000 -12.231 11.248) 16.617 6.911 ( 0.000 12.231 11.248) 16.617 7.270 ( 0.000 -3.300 -0.978) 3.441 7.270 ( 0.000 3.300 -0.978) 3.441 7.864 ( 0.000 -3.915 3.669) 5.365 7.864 ( 0.000 3.915 3.669) 5.365 8.322 ( 0.000 -0.299 -0.938) 0.984 8.322 ( 0.000 0.299 -0.938) 0.984 8.499 ( 0.000 -4.296 3.510) 5.548 8.499 ( 0.000 4.296 3.510) 5.548 8.675 ( 0.000 -1.132 -1.517) 1.893 8.675 ( 0.000 1.132 -1.517) 1.893 8.710 ( 0.000 -0.428 -6.758) 6.772 8.710 ( 0.000 0.428 -6.758) 6.772 9.559 ( 0.000 -0.093 -5.899) 5.900 9.559 ( 0.000 0.093 -5.899) 5.900======================= Grid point 191 (70/84) =======================q-point: ( 0.14 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.993 ( 0.397 -0.960 -9.860) 9.914 1.993 ( 0.397 0.960 -9.860) 9.914 2.600 ( 2.165 -6.097 12.486) 14.063 2.600 ( 2.165 6.097 12.486) 14.063 3.076 ( -1.229 -8.460 1.726) 8.721 3.076 ( -1.229 8.460 1.726) 8.721 3.342 ( 6.508 -6.479 2.448) 9.504 3.342 ( 6.508 6.479 2.448) 9.504 4.185 ( -8.913 -1.125 4.533) 10.063 4.185 ( -8.913 1.125 4.533) 10.063 4.469 ( -1.295 -6.240 6.579) 9.159 4.469 ( -1.295 6.240 6.579) 9.159 4.953 ( 4.925 -4.329 0.242) 6.562 4.953 ( 4.925 4.329 0.242) 6.562 5.050 ( -1.187 -1.905 -5.846) 6.262 5.050 ( -1.187 1.905 -5.846) 6.262 5.323 ( 2.764 -7.027 0.670) 7.581 5.323 ( 2.764 7.027 0.670) 7.581 5.594 ( 3.186 -3.009 -3.604) 5.674 5.594 ( 3.186 3.009 -3.604) 5.674 5.887 ( 5.209 -5.356 0.611) 7.496 5.887 ( 5.209 5.356 0.611) 7.496 6.147 ( -1.649 -3.731 7.615) 8.638 6.147 ( -1.649 3.731 7.615) 8.638 6.610 ( 5.244 -2.614 -2.269) 6.283 6.610 ( 5.244 2.614 -2.269) 6.283 6.940 ( 2.033 -13.556 14.852) 20.211 6.940 ( 2.033 13.556 14.852) 20.211 7.308 ( 3.563 -5.625 -4.055) 7.796 7.308 ( 3.563 5.625 -4.055) 7.796 7.825 ( -3.203 -4.168 3.091) 6.098 7.825 ( -3.203 4.168 3.091) 6.098 8.309 ( -1.587 -1.347 -0.458) 2.131 8.309 ( -1.587 1.347 -0.458) 2.131 8.436 ( -5.204 -5.414 6.369) 9.847 8.436 ( -5.204 5.414 6.369) 9.847 8.647 ( -3.350 -3.714 -6.849) 8.480 8.647 ( -3.350 3.714 -6.849) 8.480 8.715 ( 0.535 -2.896 -3.539) 4.604 8.715 ( 0.535 2.896 -3.539) 4.604 9.530 ( -2.607 -0.567 -5.115) 5.769 9.530 ( -2.607 0.567 -5.115) 5.769======================= Grid point 193 (71/84) =======================q-point: ( 0.29 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( 0.085 -0.547 -12.770) 12.782 1.999 ( 0.085 0.547 -12.770) 12.782 2.679 ( 5.666 -2.138 8.533) 10.464 2.679 ( 5.666 2.138 8.533) 10.464 3.045 ( -2.351 -7.397 2.126) 8.048 3.045 ( -2.351 7.397 2.126) 8.048 3.499 ( 8.791 -6.237 2.833) 11.145 3.499 ( 8.791 6.237 2.833) 11.145 4.045 ( -4.717 -2.358 14.014) 14.973 4.045 ( -4.717 2.358 14.014) 14.973 4.344 ( -9.230 -9.566 11.647) 17.674 4.344 ( -9.230 9.566 11.647) 17.674 4.989 ( -2.211 -3.060 6.126) 7.196 4.989 ( -2.211 3.060 6.126) 7.196 5.112 ( 6.673 -3.379 -5.463) 9.263 5.112 ( 6.673 3.379 -5.463) 9.263 5.349 ( -1.228 -4.344 -0.541) 4.546 5.349 ( -1.228 4.344 -0.541) 4.546 5.678 ( 5.284 -5.360 -10.232) 12.703 5.678 ( 5.284 5.360 -10.232) 12.703 5.975 ( 2.595 -8.747 -1.490) 9.245 5.975 ( 2.595 8.747 -1.490) 9.245 6.205 ( 8.131 -2.584 2.312) 8.840 6.205 ( 8.131 2.584 2.312) 8.840 6.741 ( 6.434 -0.431 -2.887) 7.065 6.741 ( 6.434 0.431 -2.887) 7.065 6.952 ( -1.415 -15.721 8.351) 17.858 6.952 ( -1.415 15.721 8.351) 17.858 7.399 ( 5.025 -3.617 0.571) 6.218 7.399 ( 5.025 3.617 0.571) 6.218 7.773 ( -0.880 -4.464 0.231) 4.556 7.773 ( -0.880 4.464 0.231) 4.556 8.204 ( -9.291 -0.979 5.607) 10.896 8.204 ( -9.291 0.979 5.607) 10.896 8.365 ( -0.737 -3.347 3.690) 5.036 8.365 ( -0.737 3.347 3.690) 5.036 8.556 ( -4.980 -2.357 -6.290) 8.362 8.556 ( -4.980 2.357 -6.290) 8.362 8.713 ( -0.883 -3.831 -4.327) 5.846 8.713 ( -0.883 3.831 -4.327) 5.846 9.469 ( -2.974 -0.646 -3.706) 4.795 9.469 ( -2.974 0.646 -3.706) 4.795======================= Grid point 195 (72/84) =======================q-point: ( 0.43 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.998 ( -0.065 -0.161 -14.714) 14.715 1.998 ( -0.065 0.161 -14.714) 14.715 2.814 ( 6.891 -2.215 3.384) 7.990 2.814 ( 6.891 2.215 3.384) 7.990 2.965 ( -5.314 -5.359 3.245) 8.215 2.965 ( -5.314 5.359 3.245) 8.215 3.695 ( 9.801 -6.210 9.777) 15.173 3.695 ( 9.801 6.210 9.777) 15.173 3.943 ( -7.017 -4.040 9.103) 12.183 3.943 ( -7.017 4.040 9.103) 12.183 4.189 ( -3.810 -3.853 17.232) 18.064 4.189 ( -3.810 3.853 17.232) 18.064 4.932 ( -2.370 -0.343 12.414) 12.643 4.932 ( -2.370 0.343 12.414) 12.643 5.225 ( 4.243 -2.007 -2.764) 5.447 5.225 ( 4.243 2.007 -2.764) 5.447 5.296 ( -3.084 -0.620 -0.580) 3.199 5.296 ( -3.084 0.620 -0.580) 3.199 5.792 ( 4.610 -5.565 -16.183) 17.723 5.792 ( 4.610 5.565 -16.183) 17.723 5.979 ( -1.441 -6.256 -1.079) 6.510 5.979 ( -1.441 6.256 -1.079) 6.510 6.450 ( 14.478 -10.546 -1.825) 18.004 6.450 ( 14.478 10.546 -1.825) 18.004 6.722 ( -10.104 -10.544 0.260) 14.606 6.722 ( -10.104 10.544 0.260) 14.606 6.960 ( 2.833 -4.760 -6.423) 8.481 6.960 ( 2.833 4.760 -6.423) 8.481 7.496 ( 3.496 -2.314 8.134) 9.151 7.496 ( 3.496 2.314 8.134) 9.151 7.813 ( 5.104 -5.222 0.704) 7.336 7.813 ( 5.104 5.222 0.704) 7.336 7.987 ( -10.739 -3.023 5.746) 12.549 7.987 ( -10.739 3.023 5.746) 12.549 8.372 ( 0.683 -1.878 1.719) 2.636 8.372 ( 0.683 1.878 1.719) 2.636 8.473 ( -2.523 -1.935 -2.930) 4.323 8.473 ( -2.523 1.935 -2.930) 4.323 8.689 ( -0.998 -2.022 -4.887) 5.382 8.689 ( -0.998 2.022 -4.887) 5.382 9.424 ( -1.231 -0.277 -2.962) 3.220 9.424 ( -1.231 0.277 -2.962) 3.220======================= Grid point 210 (73/84) =======================q-point: ( 0.00 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( 0.000 0.000 -6.586) 6.586 1.861 ( 0.000 0.000 -5.704) 5.704 2.595 ( 0.000 0.000 0.707) 0.707 2.813 ( 0.000 0.000 0.124) 0.124 3.058 ( 0.000 0.000 4.330) 4.330 3.325 ( 0.000 0.000 14.737) 14.737 3.408 ( 0.000 0.000 -1.255) 1.255 3.528 ( 0.000 0.000 -4.037) 4.037 4.233 ( 0.000 0.000 -5.580) 5.580 4.349 ( 0.000 0.000 -0.029) 0.029 4.392 ( 0.000 0.000 7.535) 7.535 4.410 ( 0.000 0.000 -5.959) 5.959 4.558 ( 0.000 0.000 -6.281) 6.281 4.620 ( 0.000 0.000 2.118) 2.118 4.891 ( 0.000 0.000 2.978) 2.978 5.117 ( 0.000 0.000 -7.067) 7.067 5.230 ( 0.000 0.000 6.375) 6.375 5.396 ( 0.000 0.000 3.188) 3.188 5.655 ( 0.000 0.000 -8.361) 8.361 5.728 ( 0.000 0.000 11.196) 11.196 5.776 ( 0.000 0.000 -3.773) 3.773 6.096 ( 0.000 0.000 1.679) 1.679 6.179 ( 0.000 0.000 4.893) 4.893 6.194 ( 0.000 0.000 2.542) 2.542 6.454 ( 0.000 0.000 -1.234) 1.234 6.475 ( 0.000 0.000 -2.784) 2.784 6.717 ( 0.000 0.000 -10.891) 10.891 7.306 ( 0.000 0.000 9.276) 9.276 7.406 ( 0.000 0.000 11.937) 11.937 7.790 ( 0.000 0.000 0.375) 0.375 7.817 ( 0.000 0.000 25.907) 25.907 8.211 ( 0.000 0.000 5.278) 5.278 8.285 ( 0.000 0.000 -11.740) 11.740 8.308 ( 0.000 0.000 -11.809) 11.809 8.356 ( 0.000 0.000 -0.827) 0.827 8.435 ( 0.000 0.000 2.668) 2.668 8.515 ( 0.000 0.000 -18.204) 18.204 8.549 ( 0.000 0.000 1.406) 1.406 8.759 ( 0.000 0.000 2.364) 2.364 8.784 ( 0.000 0.000 -0.336) 0.336 9.394 ( 0.000 0.000 -1.798) 1.798 9.406 ( 0.000 0.000 0.144) 0.144======================= Grid point 211 (74/84) =======================q-point: ( 0.14 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( -0.838 0.000 -7.089) 7.139 1.844 ( -1.549 0.000 -5.987) 6.184 2.657 ( 6.187 0.000 0.373) 6.198 2.835 ( 2.145 0.000 0.565) 2.218 3.030 ( -1.849 0.000 2.308) 2.957 3.300 ( -2.571 0.000 12.803) 13.059 3.472 ( 6.028 0.000 -1.217) 6.149 3.545 ( 1.129 0.000 -3.211) 3.404 4.167 ( -15.814 0.000 6.683) 17.168 4.246 ( 1.444 0.000 4.719) 4.935 4.430 ( 3.891 0.000 2.423) 4.584 4.459 ( 9.239 0.000 -7.096) 11.650 4.658 ( 8.699 0.000 -10.462) 13.606 4.744 ( 6.657 0.000 1.988) 6.948 4.920 ( 2.429 0.000 5.265) 5.798 5.155 ( 1.690 0.000 -8.762) 8.924 5.209 ( -2.156 0.000 4.366) 4.870 5.344 ( -3.845 0.000 2.124) 4.393 5.642 ( -5.104 0.000 1.372) 5.285 5.759 ( 6.243 0.000 2.883) 6.877 5.805 ( 2.774 0.000 -3.456) 4.432 6.051 ( -2.947 0.000 1.568) 3.338 6.150 ( -2.858 0.000 4.580) 5.398 6.296 ( 9.617 0.000 2.366) 9.904 6.524 ( 6.091 0.000 -1.229) 6.214 6.527 ( 4.825 0.000 -2.537) 5.451 6.625 ( -8.438 0.000 -10.474) 13.450 7.409 ( 5.850 0.000 0.540) 5.875 7.442 ( 6.960 0.000 18.205) 19.490 7.753 ( -3.396 0.000 0.179) 3.401 7.775 ( -4.020 0.000 23.003) 23.351 8.148 ( -6.402 0.000 -2.856) 7.011 8.287 ( -1.151 0.000 -11.849) 11.904 8.312 ( -4.097 0.000 -0.603) 4.141 8.322 ( 2.201 0.000 -4.135) 4.685 8.400 ( -3.517 0.000 3.814) 5.188 8.488 ( -1.760 0.000 -14.557) 14.663 8.498 ( -4.446 0.000 0.804) 4.518 8.726 ( -3.127 0.000 3.604) 4.772 8.791 ( 0.159 0.000 -1.991) 1.997 9.378 ( -1.428 0.000 -1.679) 2.204 9.394 ( -1.118 0.000 -0.023) 1.118======================= Grid point 212 (75/84) =======================q-point: ( 0.29 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( -0.905 0.000 -7.991) 8.042 1.803 ( -2.291 0.000 -6.765) 7.143 2.842 ( 11.492 0.000 -0.406) 11.499 2.897 ( 3.881 0.000 1.931) 4.335 3.017 ( 1.034 0.000 1.050) 1.473 3.228 ( -4.138 0.000 7.114) 8.230 3.538 ( -2.449 0.000 -2.079) 3.212 3.619 ( 5.215 0.000 -2.279) 5.691 3.863 ( -10.144 0.000 7.087) 12.374 4.291 ( 2.377 0.000 15.985) 16.161 4.569 ( 9.332 0.000 6.750) 11.517 4.676 ( 9.144 0.000 -6.169) 11.030 4.846 ( 3.424 0.000 2.872) 4.470 4.858 ( 7.563 0.000 -3.847) 8.485 4.943 ( -1.648 0.000 12.676) 12.783 5.105 ( -0.212 0.000 -16.956) 16.958 5.159 ( -1.998 0.000 -2.881) 3.506 5.336 ( 1.798 0.000 -0.913) 2.017 5.489 ( -8.685 0.000 2.590) 9.063 5.877 ( 3.876 0.000 -1.864) 4.301 5.896 ( 4.675 0.000 4.496) 6.486 6.020 ( 0.336 0.000 -1.560) 1.595 6.066 ( -5.408 0.000 2.940) 6.155 6.394 ( -13.258 0.000 -13.678) 19.049 6.561 ( 15.380 0.000 3.800) 15.843 6.656 ( 7.328 0.000 -2.214) 7.655 6.685 ( 9.919 0.000 -3.366) 10.474 7.533 ( 7.630 0.000 3.444) 8.371 7.635 ( -0.766 0.000 18.408) 18.424 7.670 ( -4.198 0.000 0.585) 4.239 7.680 ( 4.237 0.000 9.758) 10.638 7.957 ( -10.825 0.000 -8.881) 14.001 8.201 ( -6.583 0.000 -0.064) 6.583 8.256 ( -1.496 0.000 -7.112) 7.268 8.288 ( -7.604 0.000 7.256) 10.510 8.373 ( 2.649 0.000 -0.568) 2.709 8.392 ( -5.469 0.000 -3.081) 6.277 8.486 ( 2.140 0.000 -9.013) 9.264 8.640 ( -5.141 0.000 5.580) 7.587 8.769 ( -2.635 0.000 -3.952) 4.750 9.346 ( -1.477 0.000 -1.346) 1.998 9.365 ( -1.606 0.000 -0.404) 1.656======================= Grid point 213 (76/84) =======================q-point: ( 0.43 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.739 ( 0.259 0.000 -8.302) 8.306 1.760 ( -1.744 0.000 -7.740) 7.934 2.985 ( 4.491 0.000 4.709) 6.508 3.049 ( -0.171 0.000 6.288) 6.290 3.076 ( 9.628 0.000 -2.418) 9.927 3.161 ( -1.281 0.000 -2.957) 3.222 3.454 ( -4.313 0.000 -0.448) 4.336 3.495 ( -9.156 0.000 -0.206) 9.159 3.980 ( 14.359 0.000 6.034) 15.575 4.254 ( -9.030 0.000 14.324) 16.933 4.718 ( 0.932 0.000 8.425) 8.476 4.770 ( 9.137 0.000 7.177) 11.619 4.822 ( -6.598 0.000 16.500) 17.770 4.889 ( -2.331 0.000 5.464) 5.940 4.977 ( 7.473 0.000 -10.883) 13.202 5.111 ( -4.480 0.000 -9.989) 10.948 5.338 ( 2.212 0.000 0.170) 2.219 5.348 ( -3.330 0.000 1.746) 3.760 5.381 ( 17.389 0.000 -10.447) 20.286 5.785 ( -16.937 0.000 2.365) 17.102 5.945 ( 2.698 0.000 1.882) 3.289 5.987 ( -1.493 0.000 2.351) 2.785 6.070 ( 4.255 0.000 -9.504) 10.413 6.178 ( -6.893 0.000 -15.864) 17.297 6.789 ( 4.550 0.000 -1.228) 4.713 6.789 ( 5.222 0.000 1.971) 5.581 6.988 ( 19.415 0.000 -3.425) 19.715 7.380 ( -17.479 0.000 0.476) 17.485 7.613 ( -0.636 0.000 3.260) 3.322 7.643 ( -1.302 0.000 8.713) 8.809 7.861 ( 6.978 0.000 -0.115) 6.979 7.897 ( 9.459 0.000 5.130) 10.761 8.047 ( -8.768 0.000 -0.298) 8.773 8.100 ( -10.240 0.000 8.427) 13.261 8.244 ( 0.749 0.000 -5.246) 5.299 8.293 ( -3.931 0.000 -4.640) 6.081 8.435 ( 3.764 0.000 2.223) 4.371 8.530 ( -5.337 0.000 5.196) 7.449 8.570 ( 5.490 0.000 -5.830) 8.008 8.685 ( -5.331 0.000 -4.869) 7.220 9.327 ( -0.247 0.000 -1.020) 1.050 9.336 ( -1.074 0.000 -0.760) 1.316======================= Grid point 217 (77/84) =======================q-point: ( 0.00 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( 0.000 1.038 -6.418) 6.502 1.848 ( 0.000 -1.071 -5.857) 5.954 2.623 ( 0.000 3.456 2.805) 4.451 2.903 ( 0.000 7.549 0.501) 7.566 3.118 ( 0.000 -15.733 9.616) 18.439 3.147 ( 0.000 6.951 2.996) 7.569 3.324 ( 0.000 -7.545 0.871) 7.596 3.442 ( 0.000 -4.659 -1.048) 4.776 4.257 ( 0.000 2.282 -3.942) 4.556 4.348 ( 0.000 -0.580 -0.648) 0.870 4.370 ( 0.000 -1.556 -1.117) 1.915 4.384 ( 0.000 -1.587 -3.480) 3.824 4.712 ( 0.000 6.963 -0.854) 7.015 4.779 ( 0.000 12.122 1.580) 12.225 5.029 ( 0.000 5.881 -0.492) 5.902 5.067 ( 0.000 3.969 -2.723) 4.813 5.183 ( 0.000 -3.845 7.974) 8.853 5.338 ( 0.000 -1.600 -4.954) 5.206 5.666 ( 0.000 0.777 1.197) 1.427 5.732 ( 0.000 -1.407 11.995) 12.077 5.949 ( 0.000 -12.757 -3.462) 13.218 5.977 ( 0.000 -7.477 1.687) 7.665 5.996 ( 0.000 12.462 -4.209) 13.154 6.281 ( 0.000 3.110 4.364) 5.359 6.456 ( 0.000 0.414 -1.908) 1.952 6.472 ( 0.000 -0.225 -3.434) 3.442 6.835 ( 0.000 8.125 -6.886) 10.651 7.222 ( 0.000 -7.079 7.069) 10.005 7.406 ( 0.000 0.726 12.343) 12.364 7.725 ( 0.000 -8.880 23.697) 25.306 7.819 ( 0.000 2.580 0.499) 2.628 8.063 ( 0.000 -9.415 -3.009) 9.884 8.276 ( 0.000 -0.227 -6.986) 6.990 8.294 ( 0.000 -0.091 -1.473) 1.476 8.386 ( 0.000 1.844 -4.418) 4.787 8.415 ( 0.000 -1.246 -8.886) 8.973 8.564 ( 0.000 4.787 -2.222) 5.278 8.619 ( 0.000 2.849 -1.464) 3.204 8.727 ( 0.000 -2.762 2.497) 3.724 8.752 ( 0.000 -2.438 -0.237) 2.450 9.433 ( 0.000 2.761 -2.135) 3.490 9.448 ( 0.000 2.651 -1.089) 2.866======================= Grid point 218 (78/84) =======================q-point: ( 0.14 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.778 ( -0.919 0.962 -6.894) 7.021 1.833 ( -1.424 -0.963 -6.176) 6.411 2.660 ( 3.771 1.685 2.349) 4.751 2.909 ( 0.729 6.021 1.128) 6.169 3.031 ( -3.713 -6.658 4.113) 8.662 3.215 ( 1.352 -1.358 8.184) 8.405 3.339 ( 1.787 -7.250 -3.223) 8.133 3.488 ( 4.647 -3.633 -0.310) 5.907 4.254 ( -0.166 2.144 7.154) 7.470 4.308 ( -3.384 3.341 5.789) 7.492 4.432 ( 4.244 0.818 -3.659) 5.663 4.482 ( 7.765 1.898 -2.438) 8.357 4.687 ( 2.576 4.543 -7.466) 9.111 4.837 ( 3.987 6.812 1.192) 7.983 5.041 ( 0.143 0.801 -2.628) 2.751 5.103 ( 2.572 4.822 -2.729) 6.108 5.190 ( -0.098 -3.320 7.103) 7.841 5.325 ( -1.070 2.055 -2.670) 3.535 5.618 ( -3.551 -2.460 2.305) 4.896 5.783 ( 4.018 0.026 7.081) 8.142 5.864 ( -4.684 -0.769 -2.491) 5.360 5.984 ( 0.213 -3.849 0.168) 3.859 6.113 ( 8.831 -2.750 -2.201) 9.508 6.251 ( -2.678 1.454 2.698) 4.070 6.515 ( 5.555 -0.312 -2.125) 5.956 6.523 ( 4.918 -0.309 -3.121) 5.833 6.774 ( -5.413 10.792 -4.737) 12.970 7.344 ( 9.238 -6.780 1.931) 11.620 7.431 ( 3.907 0.072 13.705) 14.251 7.669 ( -5.147 -9.304 21.229) 23.743 7.777 ( -3.880 2.118 0.281) 4.429 7.998 ( -5.727 -8.618 -4.775) 11.396 8.277 ( -0.589 -0.173 -6.687) 6.715 8.295 ( -0.185 -0.431 1.101) 1.197 8.377 ( -0.321 2.599 -4.778) 5.449 8.411 ( -0.741 0.759 -3.884) 4.026 8.527 ( -4.430 2.794 -3.678) 6.400 8.564 ( -3.799 4.340 -1.602) 5.986 8.690 ( -3.445 -3.116 3.840) 6.027 8.751 ( -0.479 -3.115 -2.183) 3.833 9.416 ( -1.527 2.703 -1.831) 3.605 9.433 ( -1.389 2.458 -1.037) 3.008======================= Grid point 219 (79/84) =======================q-point: ( 0.29 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( -1.074 0.741 -7.780) 7.888 1.796 ( -2.056 -0.657 -6.955) 7.282 2.771 ( 6.637 -2.633 0.852) 7.191 2.934 ( 1.702 2.038 2.981) 3.992 2.990 ( -0.575 -5.949 3.243) 6.800 3.193 ( -2.879 -3.638 0.812) 4.710 3.389 ( 3.432 0.410 -1.048) 3.612 3.634 ( 9.519 -3.077 -0.316) 10.009 4.107 ( -12.352 14.437 6.224) 19.993 4.310 ( 2.098 1.645 15.290) 15.521 4.540 ( 7.197 -1.572 13.525) 15.401 4.662 ( 5.264 -1.960 -1.814) 5.903 4.806 ( 4.697 -0.791 -5.512) 7.285 4.928 ( 5.289 4.988 -0.664) 7.300 5.025 ( 3.537 -4.398 -14.543) 15.600 5.115 ( -1.472 10.273 5.504) 11.747 5.218 ( 3.074 -0.528 1.952) 3.680 5.306 ( -1.179 3.949 -2.931) 5.057 5.534 ( -5.057 0.981 -1.280) 5.308 5.755 ( -4.447 -6.608 -0.114) 7.966 5.884 ( 3.487 -0.198 4.683) 5.842 5.991 ( 0.791 -1.930 -2.612) 3.342 6.184 ( -2.319 2.907 -0.313) 3.732 6.334 ( 9.082 -5.217 -5.304) 11.740 6.619 ( -2.617 7.185 -0.086) 7.648 6.663 ( 7.434 0.275 -2.251) 7.772 6.678 ( 6.418 1.962 -3.861) 7.743 7.439 ( -5.405 -13.542 -0.969) 14.613 7.573 ( 2.832 -2.037 16.159) 16.531 7.617 ( 9.643 -2.545 11.654) 15.339 7.692 ( -2.323 1.785 -0.031) 2.929 7.863 ( -6.289 -5.384 -5.981) 10.214 8.250 ( -4.876 2.011 1.392) 5.455 8.256 ( -1.622 1.012 -1.395) 2.366 8.328 ( -6.000 2.267 1.031) 6.497 8.403 ( -0.447 3.217 2.160) 3.901 8.414 ( -3.582 0.072 -6.983) 7.849 8.517 ( -0.204 3.492 -6.571) 7.445 8.600 ( -4.994 -3.388 5.884) 8.428 8.722 ( -2.507 -3.746 -4.452) 6.336 9.380 ( -1.752 2.431 -1.316) 3.273 9.397 ( -1.953 2.047 -0.919) 2.975======================= Grid point 220 (80/84) =======================q-point: ( 0.43 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.743 ( -0.022 0.341 -8.187) 8.194 1.758 ( -1.432 -0.185 -7.804) 7.936 2.899 ( 5.140 -6.354 -0.552) 8.191 2.959 ( -0.675 -6.300 4.641) 7.854 3.005 ( 3.095 -1.525 1.986) 3.981 3.105 ( -5.501 -4.622 -1.262) 7.295 3.523 ( 10.074 9.923 -0.231) 14.142 3.748 ( -7.819 9.588 -1.894) 12.516 3.966 ( 8.660 0.659 6.885) 11.083 4.236 ( -11.718 -2.386 10.254) 15.753 4.655 ( 1.370 -3.481 16.781) 17.193 4.668 ( 3.219 -3.597 19.229) 19.826 4.937 ( 5.223 5.303 -5.735) 9.396 5.002 ( -1.027 6.372 4.100) 7.647 5.060 ( 3.379 7.403 -3.314) 8.786 5.170 ( -1.768 2.313 -9.458) 9.896 5.296 ( 2.461 -1.315 0.563) 2.847 5.323 ( 6.735 -0.352 1.111) 6.835 5.441 ( 0.165 2.161 -8.666) 8.933 5.628 ( -9.260 -8.151 -2.214) 12.533 5.950 ( 3.227 -2.588 0.046) 4.137 5.998 ( -0.883 -2.111 -3.339) 4.048 6.170 ( 1.861 6.595 -4.480) 8.187 6.284 ( -8.573 13.322 -8.664) 18.056 6.753 ( 10.292 -5.343 4.746) 12.530 6.798 ( 4.124 0.198 -0.856) 4.217 6.863 ( 11.509 -6.504 -5.906) 14.479 7.179 ( -16.354 -15.662 -0.683) 22.654 7.612 ( -0.366 0.158 3.401) 3.424 7.645 ( -2.272 -0.410 5.335) 5.813 7.843 ( 9.086 -0.941 2.114) 9.376 7.880 ( 8.771 -1.593 2.702) 9.315 8.097 ( -8.975 3.166 4.289) 10.439 8.123 ( -9.317 1.585 7.605) 12.130 8.282 ( 1.513 3.199 -5.077) 6.189 8.341 ( -3.865 3.571 -3.794) 6.487 8.424 ( 2.595 -1.179 0.098) 2.852 8.499 ( -4.488 -2.504 4.602) 6.898 8.566 ( 3.883 0.052 -4.847) 6.211 8.652 ( -4.162 -2.585 -4.830) 6.880 9.355 ( -0.483 1.978 -1.002) 2.270 9.363 ( -1.192 1.784 -0.904) 2.328======================= Grid point 224 (81/84) =======================q-point: ( 0.00 -0.50 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( 0.000 -1.490 -6.116) 6.294 1.818 ( 0.000 1.490 -6.116) 6.294 2.789 ( 0.000 -11.770 5.802) 13.122 2.789 ( 0.000 11.770 5.802) 13.122 3.113 ( 0.000 -10.423 1.233) 10.496 3.113 ( 0.000 10.423 1.233) 10.496 3.314 ( 0.000 -7.087 1.322) 7.209 3.314 ( 0.000 7.087 1.322) 7.209 4.322 ( 0.000 -2.738 -1.874) 3.317 4.322 ( 0.000 2.738 -1.874) 3.317 4.348 ( 0.000 -0.191 -2.465) 2.472 4.348 ( 0.000 0.191 -2.465) 2.472 4.884 ( 0.000 -7.516 -4.660) 8.844 4.884 ( 0.000 7.517 -4.660) 8.844 5.013 ( 0.000 -8.988 2.749) 9.399 5.013 ( 0.000 8.988 2.749) 9.399 5.438 ( 0.000 -7.330 7.824) 10.721 5.438 ( 0.000 7.330 7.824) 10.721 5.546 ( 0.000 -3.188 -1.772) 3.648 5.546 ( 0.000 3.188 -1.772) 3.648 5.844 ( 0.000 -1.321 0.531) 1.424 5.844 ( 0.000 1.321 0.531) 1.424 6.258 ( 0.000 -6.765 1.109) 6.856 6.258 ( 0.000 6.765 1.109) 6.856 6.469 ( 0.000 -0.235 -4.491) 4.497 6.469 ( 0.000 0.235 -4.491) 4.497 7.030 ( 0.000 -9.218 0.443) 9.229 7.030 ( 0.000 9.218 0.443) 9.229 7.494 ( 0.000 -8.350 16.075) 18.114 7.494 ( 0.000 8.350 16.075) 18.114 7.904 ( 0.000 -5.130 0.164) 5.132 7.904 ( 0.000 5.130 0.164) 5.132 8.283 ( 0.000 -0.664 -3.240) 3.307 8.283 ( 0.000 0.664 -3.240) 3.307 8.411 ( 0.000 -0.187 -7.217) 7.220 8.411 ( 0.000 0.187 -7.217) 7.220 8.656 ( 0.000 -3.306 1.961) 3.843 8.656 ( 0.000 3.306 1.961) 3.843 8.684 ( 0.000 -3.394 -0.585) 3.444 8.684 ( 0.000 3.394 -0.585) 3.444 9.477 ( 0.000 -0.518 -2.213) 2.273 9.477 ( 0.000 0.518 -2.213) 2.273======================= Grid point 226 (82/84) =======================q-point: ( 0.14 -0.50 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( -1.149 -1.360 -6.524) 6.762 1.806 ( -1.149 1.360 -6.524) 6.762 2.782 ( -0.158 -9.521 5.161) 10.831 2.782 ( -0.158 9.521 5.161) 10.831 3.096 ( -1.465 -8.917 0.595) 9.056 3.096 ( -1.465 8.917 0.595) 9.056 3.374 ( 5.315 -6.272 0.651) 8.247 3.374 ( 5.315 6.272 0.651) 8.247 4.302 ( 1.055 -2.030 7.809) 8.137 4.302 ( 1.055 2.030 7.809) 8.137 4.472 ( 8.095 -2.207 -5.456) 10.008 4.472 ( 8.095 2.207 -5.456) 10.008 4.869 ( -2.748 -9.622 -6.000) 11.667 4.869 ( -2.748 9.622 -6.000) 11.667 5.014 ( 1.479 -8.735 1.769) 9.034 5.014 ( 1.479 8.735 1.769) 9.034 5.411 ( -1.762 -9.761 5.546) 11.364 5.411 ( -1.762 9.761 5.546) 11.364 5.565 ( 1.708 -10.541 -0.830) 10.711 5.565 ( 1.708 10.541 -0.830) 10.711 5.892 ( 3.298 -3.159 0.022) 4.567 5.892 ( 3.298 3.159 0.022) 4.567 6.213 ( -2.976 -5.737 0.629) 6.493 6.213 ( -2.976 5.737 0.629) 6.493 6.517 ( 4.834 -0.248 -3.841) 6.179 6.517 ( 4.834 0.248 -3.841) 6.179 7.082 ( 2.519 -15.535 -0.256) 15.740 7.082 ( 2.519 15.535 -0.256) 15.740 7.479 ( 0.153 -5.163 14.667) 15.550 7.479 ( 0.153 5.163 14.667) 15.550 7.853 ( -4.517 -4.768 -0.553) 6.591 7.853 ( -4.517 4.768 -0.553) 6.591 8.283 ( 0.022 -0.584 -1.929) 2.016 8.283 ( 0.022 0.584 -1.929) 2.016 8.417 ( 0.099 -0.744 -6.458) 6.502 8.417 ( 0.099 0.744 -6.458) 6.502 8.600 ( -4.808 -3.744 3.901) 7.236 8.600 ( -4.808 3.744 3.901) 7.236 8.668 ( -1.794 -4.070 -2.637) 5.171 8.668 ( -1.794 4.070 -2.637) 5.171 9.460 ( -1.619 -0.548 -1.897) 2.554 9.460 ( -1.619 0.548 -1.897) 2.554======================= Grid point 228 (83/84) =======================q-point: ( 0.29 -0.50 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( -1.534 -0.982 -7.359) 7.581 1.776 ( -1.534 0.982 -7.359) 7.581 2.799 ( 1.877 -5.515 3.333) 6.712 2.799 ( 1.877 5.515 3.333) 6.712 3.060 ( -1.968 -6.287 0.023) 6.588 3.060 ( -1.968 6.287 0.023) 6.588 3.516 ( 8.819 -6.952 -0.048) 11.230 3.516 ( 8.819 6.952 -0.048) 11.230 4.321 ( -2.931 -3.015 10.350) 11.171 4.321 ( -2.931 3.015 10.350) 11.171 4.561 ( 0.190 -4.769 12.477) 13.358 4.561 ( 0.190 4.769 12.477) 13.358 4.881 ( 8.000 -6.413 -16.789) 19.672 4.881 ( 8.000 6.413 -16.789) 19.672 5.072 ( 3.140 -7.132 1.896) 8.019 5.072 ( 3.140 7.132 1.896) 8.019 5.386 ( -1.077 -7.606 2.456) 8.065 5.386 ( -1.077 7.606 2.456) 8.065 5.564 ( -2.880 -8.615 -0.734) 9.113 5.564 ( -2.880 8.615 -0.734) 9.113 5.937 ( 0.755 -3.202 -2.186) 3.950 5.937 ( 0.755 3.202 -2.186) 3.950 6.216 ( 4.724 -3.503 -0.615) 5.913 6.216 ( 4.724 3.503 -0.615) 5.913 6.657 ( 8.237 -0.297 -2.704) 8.675 6.657 ( 8.237 0.297 -2.704) 8.675 7.016 ( -9.041 -20.740 -0.592) 22.632 7.016 ( -9.041 20.740 -0.592) 22.632 7.573 ( 7.977 -1.239 11.834) 14.325 7.573 ( 7.977 1.239 11.834) 14.325 7.757 ( -3.416 -4.012 -2.605) 5.878 7.757 ( -3.416 4.012 -2.605) 5.878 8.272 ( -2.151 -0.494 2.351) 3.225 8.272 ( -2.151 0.494 2.351) 3.225 8.381 ( -3.611 -2.407 -6.133) 7.513 8.381 ( -3.611 2.407 -6.133) 7.513 8.502 ( -3.766 -4.952 5.541) 8.331 8.502 ( -3.766 4.952 5.541) 8.331 8.621 ( -2.323 -4.995 -5.291) 7.638 8.621 ( -2.323 4.995 -5.291) 7.638 9.419 ( -2.115 -0.506 -1.328) 2.549 9.419 ( -2.115 0.506 -1.328) 2.549======================= Grid point 230 (84/84) =======================q-point: ( 0.43 -0.50 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( -0.713 -0.368 -7.974) 8.014 1.752 ( -0.713 0.368 -7.974) 8.014 2.841 ( 1.583 -1.760 0.169) 2.373 2.841 ( 1.583 1.760 0.169) 2.373 3.024 ( -1.270 -2.429 2.072) 3.436 3.024 ( -1.270 2.429 2.072) 3.436 3.733 ( 11.554 -7.492 -1.096) 13.814 3.733 ( 11.554 7.492 -1.096) 13.814 4.114 ( -13.184 -8.482 6.032) 16.798 4.114 ( -13.184 8.482 6.032) 16.798 4.620 ( 3.607 -0.542 21.598) 21.904 4.620 ( 3.607 0.542 21.598) 21.904 5.085 ( 7.903 -6.678 -7.744) 12.924 5.085 ( 7.903 6.678 -7.744) 12.924 5.115 ( 1.327 -4.115 1.742) 4.661 5.115 ( 1.327 4.115 1.742) 4.661 5.357 ( -1.581 -2.108 3.330) 4.247 5.357 ( -1.581 2.108 3.330) 4.247 5.469 ( -4.556 -4.040 -10.908) 12.493 5.469 ( -4.556 4.040 -10.908) 12.493 5.929 ( -0.789 -2.027 -3.305) 3.957 5.929 ( -0.789 2.027 -3.305) 3.957 6.393 ( 10.525 -11.093 -2.616) 15.514 6.393 ( 10.525 11.093 -2.616) 15.514 6.745 ( -7.494 -11.391 3.137) 13.991 6.745 ( -7.494 11.391 3.137) 13.991 6.839 ( 0.389 -5.011 -5.602) 7.527 6.839 ( 0.389 5.011 -5.602) 7.527 7.625 ( -1.584 -0.978 3.289) 3.779 7.625 ( -1.584 0.978 3.289) 3.779 7.843 ( 9.267 -1.081 2.363) 9.625 7.843 ( 9.267 1.081 2.363) 9.625 8.142 ( -8.632 -0.442 7.285) 11.304 8.142 ( -8.632 0.442 7.285) 11.304 8.363 ( 1.776 -3.382 -4.780) 6.118 8.363 ( 1.776 3.382 -4.780) 6.118 8.431 ( -3.520 -3.350 1.766) 5.170 8.431 ( -3.520 3.350 1.766) 5.170 8.592 ( -0.564 -2.325 -4.274) 4.898 8.592 ( -0.564 2.325 -4.274) 4.898 9.385 ( -0.988 -0.221 -1.014) 1.433 9.385 ( -0.988 0.221 -1.014) 1.433=================== 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 3/15288 10.0 830.358 496.383 1154.111 0.000 0.000 -0.000 3/15288 20.0 226.436 212.721 352.244 0.000 0.000 -0.000 3/15288 30.0 83.211 80.404 137.077 0.000 0.000 -0.000 3/15288 40.0 41.503 40.380 72.018 0.000 0.000 -0.000 3/15288 50.0 24.956 23.971 44.534 0.000 0.000 -0.000 3/15288 60.0 17.203 16.063 30.883 0.000 0.000 -0.000 3/15288 70.0 13.029 11.767 23.242 0.000 0.000 -0.000 3/15288 80.0 10.510 9.193 18.536 0.000 0.000 -0.000 3/15288 90.0 8.848 7.525 15.411 0.000 0.000 -0.000 3/15288 100.0 7.674 6.372 13.207 0.000 0.000 -0.000 3/15288 110.0 6.800 5.534 11.578 0.000 0.000 -0.000 3/15288 120.0 6.121 4.900 10.325 0.000 0.000 -0.000 3/15288 130.0 5.578 4.404 9.332 0.000 0.000 -0.000 3/15288 140.0 5.131 4.004 8.525 0.000 0.000 -0.000 3/15288 150.0 4.756 3.676 7.855 0.000 0.000 -0.000 3/15288 160.0 4.436 3.400 7.289 0.000 0.000 -0.000 3/15288 170.0 4.159 3.165 6.804 0.000 0.000 -0.000 3/15288 180.0 3.916 2.963 6.382 0.000 0.000 -0.000 3/15288 190.0 3.702 2.786 6.013 0.000 0.000 -0.000 3/15288 200.0 3.511 2.631 5.686 0.000 0.000 -0.000 3/15288 210.0 3.339 2.492 5.395 0.000 0.000 -0.000 3/15288 220.0 3.184 2.369 5.133 0.000 0.000 -0.000 3/15288 230.0 3.043 2.257 4.896 0.000 0.000 -0.000 3/15288 240.0 2.915 2.156 4.681 0.000 0.000 -0.000 3/15288 250.0 2.797 2.064 4.485 0.000 0.000 -0.000 3/15288 260.0 2.689 1.980 4.305 0.000 0.000 -0.000 3/15288 270.0 2.588 1.902 4.139 0.000 0.000 -0.000 3/15288 280.0 2.496 1.831 3.986 0.000 0.000 -0.000 3/15288 290.0 2.409 1.765 3.844 0.000 0.000 -0.000 3/15288 300.0 2.329 1.703 3.712 0.000 0.000 -0.000 3/15288 310.0 2.254 1.646 3.589 0.000 0.000 -0.000 3/15288 320.0 2.183 1.593 3.475 0.000 0.000 -0.000 3/15288 330.0 2.117 1.543 3.367 0.000 0.000 -0.000 3/15288 340.0 2.055 1.496 3.266 0.000 0.000 -0.000 3/15288 350.0 1.996 1.452 3.171 0.000 0.000 -0.000 3/15288 360.0 1.941 1.411 3.081 0.000 0.000 -0.000 3/15288 370.0 1.889 1.372 2.997 0.000 0.000 -0.000 3/15288 380.0 1.839 1.335 2.917 0.000 0.000 -0.000 3/15288 390.0 1.792 1.300 2.841 0.000 0.000 -0.000 3/15288 400.0 1.747 1.267 2.769 0.000 0.000 -0.000 3/15288 410.0 1.705 1.235 2.701 0.000 0.000 -0.000 3/15288 420.0 1.665 1.205 2.636 0.000 0.000 -0.000 3/15288 430.0 1.626 1.177 2.574 0.000 0.000 -0.000 3/15288 440.0 1.589 1.150 2.515 0.000 0.000 -0.000 3/15288 450.0 1.554 1.124 2.458 0.000 0.000 -0.000 3/15288 460.0 1.520 1.099 2.405 0.000 0.000 -0.000 3/15288 470.0 1.488 1.075 2.353 0.000 0.000 -0.000 3/15288 480.0 1.457 1.053 2.304 0.000 0.000 -0.000 3/15288 490.0 1.428 1.031 2.256 0.000 0.000 -0.000 3/15288 500.0 1.399 1.010 2.211 0.000 0.000 -0.000 3/15288 510.0 1.372 0.990 2.167 0.000 0.000 -0.000 3/15288 520.0 1.346 0.971 2.125 0.000 0.000 -0.000 3/15288 530.0 1.321 0.952 2.085 0.000 0.000 -0.000 3/15288 540.0 1.296 0.934 2.046 0.000 0.000 -0.000 3/15288 550.0 1.273 0.917 2.009 0.000 0.000 -0.000 3/15288 560.0 1.250 0.901 1.973 0.000 0.000 -0.000 3/15288 570.0 1.228 0.885 1.938 0.000 0.000 -0.000 3/15288 580.0 1.207 0.869 1.905 0.000 0.000 -0.000 3/15288 590.0 1.187 0.855 1.872 0.000 0.000 -0.000 3/15288 600.0 1.167 0.840 1.841 0.000 0.000 -0.000 3/15288 610.0 1.148 0.826 1.811 0.000 0.000 -0.000 3/15288 620.0 1.130 0.813 1.782 0.000 0.000 -0.000 3/15288 630.0 1.112 0.800 1.753 0.000 0.000 -0.000 3/15288 640.0 1.095 0.787 1.726 0.000 0.000 -0.000 3/15288 650.0 1.078 0.775 1.699 0.000 0.000 -0.000 3/15288 660.0 1.062 0.764 1.673 0.000 0.000 -0.000 3/15288 670.0 1.046 0.752 1.648 0.000 0.000 -0.000 3/15288 680.0 1.030 0.741 1.624 0.000 0.000 -0.000 3/15288 690.0 1.016 0.730 1.601 0.000 0.000 -0.000 3/15288 700.0 1.001 0.720 1.578 0.000 0.000 -0.000 3/15288 710.0 0.987 0.710 1.555 0.000 0.000 -0.000 3/15288 720.0 0.973 0.700 1.534 0.000 0.000 -0.000 3/15288 730.0 0.960 0.690 1.513 0.000 0.000 -0.000 3/15288 740.0 0.947 0.681 1.492 0.000 0.000 -0.000 3/15288 750.0 0.935 0.672 1.472 0.000 0.000 -0.000 3/15288 760.0 0.922 0.663 1.453 0.000 0.000 -0.000 3/15288 770.0 0.911 0.654 1.434 0.000 0.000 -0.000 3/15288 780.0 0.899 0.646 1.416 0.000 0.000 -0.000 3/15288 790.0 0.888 0.637 1.398 0.000 0.000 -0.000 3/15288 800.0 0.877 0.629 1.380 0.000 0.000 -0.000 3/15288 810.0 0.866 0.622 1.363 0.000 0.000 -0.000 3/15288 820.0 0.855 0.614 1.347 0.000 0.000 -0.000 3/15288 830.0 0.845 0.607 1.331 0.000 0.000 -0.000 3/15288 840.0 0.835 0.599 1.315 0.000 0.000 -0.000 3/15288 850.0 0.825 0.592 1.299 0.000 0.000 -0.000 3/15288 860.0 0.816 0.585 1.284 0.000 0.000 -0.000 3/15288 870.0 0.806 0.579 1.269 0.000 0.000 -0.000 3/15288 880.0 0.797 0.572 1.255 0.000 0.000 -0.000 3/15288 890.0 0.788 0.566 1.241 0.000 0.000 -0.000 3/15288 900.0 0.780 0.559 1.227 0.000 0.000 -0.000 3/15288 910.0 0.771 0.553 1.214 0.000 0.000 -0.000 3/15288 920.0 0.763 0.547 1.200 0.000 0.000 -0.000 3/15288 930.0 0.754 0.541 1.188 0.000 0.000 -0.000 3/15288 940.0 0.746 0.536 1.175 0.000 0.000 -0.000 3/15288 950.0 0.739 0.530 1.163 0.000 0.000 -0.000 3/15288 960.0 0.731 0.524 1.150 0.000 0.000 -0.000 3/15288 970.0 0.723 0.519 1.139 0.000 0.000 -0.000 3/15288 980.0 0.716 0.514 1.127 0.000 0.000 -0.000 3/15288 990.0 0.709 0.508 1.116 0.000 0.000 -0.000 3/15288 1000.0 0.702 0.503 1.104 0.000 0.000 -0.000 3/15288Thermal conductivity related properties were written into "kappa-m7413.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 04:16:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|