# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/d0a6d671-a826-4ed7-b66c-dc7171a238f6/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 Ge(BiTe2)2 / R-3m (166) / materials id 27948](https://mdr.nims.go.jp/datasets/a682ca6f-afd4-47b7-adce-9e1ca5cedb34) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 06:39:34]-------------------------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 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)Number of symmetry operations in supercell: 144------------------------------ primitive cell ------------------------------Lattice vectors: a 2.155157510945349 1.244280769090338 13.656957649999987 b -2.155157510945344 1.244280769090338 13.656957649999987 c 0.000000000000002 -2.488561538180680 13.656957649999987Atomic positions (fractional): *1 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 *2 Te 0.86676650177855 0.86676650177855 0.86676650177855 127.600 *3 Te 0.29361085028802 0.29361085028802 0.29361085028802 127.600 4 Te 0.13323349822145 0.13323349822145 0.13323349822145 127.600 5 Te 0.70638914971198 0.70638914971198 0.70638914971198 127.600 *6 Bi 0.57639875810055 0.57639875810055 0.57639875810055 208.980 7 Bi 0.42360124189945 0.42360124189945 0.42360124189945 208.980-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.310315021890693 0.000000000000000 0.000000000000000 b -2.155157510945346 3.732842307271019 0.000000000000000 c 0.000000000000000 0.000000000000000 40.970872950000000Atomic positions (fractional): *1 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 1 2 Ge 0.66666666666667 0.33333333333333 0.33333333333333 72.640 > 1 3 Ge 0.33333333333333 0.66666666666667 0.66666666666667 72.640 > 1 *4 Te 0.66666666666667 0.33333333333333 0.20009983511188 127.600 > 2 *5 Te 0.00000000000000 0.00000000000000 0.29361085028802 127.600 > 3 6 Te 0.00000000000000 0.00000000000000 0.13323349822145 127.600 > 4 7 Te 0.66666666666667 0.33333333333333 0.03972248304531 127.600 > 5 8 Te 0.33333333333333 0.66666666666667 0.53343316844521 127.600 > 2 9 Te 0.66666666666667 0.33333333333333 0.62694418362136 127.600 > 3 10 Te 0.66666666666667 0.33333333333333 0.46656683155479 127.600 > 4 11 Te 0.33333333333333 0.66666666666667 0.37305581637864 127.600 > 5 12 Te 0.00000000000000 0.00000000000000 0.86676650177855 127.600 > 2 13 Te 0.33333333333333 0.66666666666667 0.96027751695469 127.600 > 3 14 Te 0.33333333333333 0.66666666666667 0.79990016488812 127.600 > 4 15 Te 0.00000000000000 0.00000000000000 0.70638914971198 127.600 > 5 *16 Bi 0.33333333333333 0.66666666666667 0.24306542476722 208.980 > 6 17 Bi 0.33333333333333 0.66666666666667 0.09026790856612 208.980 > 7 18 Bi 0.00000000000000 0.00000000000000 0.57639875810055 208.980 > 6 19 Bi 0.00000000000000 0.00000000000000 0.42360124189945 208.980 > 7 20 Bi 0.66666666666667 0.33333333333333 0.90973209143388 208.980 > 6 21 Bi 0.66666666666667 0.33333333333333 0.75693457523278 208.980 > 7-------------------------------- super cell --------------------------------Lattice vectors: a 8.620630043781386 0.000000000000000 0.000000000000000 b -4.310315021890692 7.465684614542038 0.000000000000000 c 0.000000000000000 0.000000000000000 40.970872950000000Atomic positions (fractional): *1 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 1 2 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 1 3 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 1 4 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 1 5 Ge 0.33333333333333 0.16666666666667 0.33333333333333 72.640 > 1 6 Ge 0.83333333333333 0.16666666666667 0.33333333333333 72.640 > 1 7 Ge 0.33333333333333 0.66666666666667 0.33333333333333 72.640 > 1 8 Ge 0.83333333333333 0.66666666666667 0.33333333333333 72.640 > 1 9 Ge 0.16666666666667 0.33333333333333 0.66666666666667 72.640 > 1 10 Ge 0.66666666666667 0.33333333333333 0.66666666666667 72.640 > 1 11 Ge 0.16666666666667 0.83333333333333 0.66666666666667 72.640 > 1 12 Ge 0.66666666666667 0.83333333333333 0.66666666666667 72.640 > 1 *13 Te 0.33333333333333 0.16666666666667 0.20009983511188 127.600 > 2 14 Te 0.83333333333333 0.16666666666667 0.20009983511188 127.600 > 2 15 Te 0.33333333333333 0.66666666666667 0.20009983511188 127.600 > 2 16 Te 0.83333333333333 0.66666666666667 0.20009983511188 127.600 > 2 *17 Te 0.00000000000000 0.00000000000000 0.29361085028802 127.600 > 3 18 Te 0.50000000000000 0.00000000000000 0.29361085028802 127.600 > 3 19 Te 0.00000000000000 0.50000000000000 0.29361085028802 127.600 > 3 20 Te 0.50000000000000 0.50000000000000 0.29361085028802 127.600 > 3 21 Te 0.00000000000000 0.00000000000000 0.13323349822145 127.600 > 4 22 Te 0.50000000000000 0.00000000000000 0.13323349822145 127.600 > 4 23 Te 0.00000000000000 0.50000000000000 0.13323349822145 127.600 > 4 24 Te 0.50000000000000 0.50000000000000 0.13323349822145 127.600 > 4 25 Te 0.33333333333333 0.16666666666667 0.03972248304531 127.600 > 5 26 Te 0.83333333333333 0.16666666666667 0.03972248304531 127.600 > 5 27 Te 0.33333333333333 0.66666666666667 0.03972248304531 127.600 > 5 28 Te 0.83333333333333 0.66666666666667 0.03972248304531 127.600 > 5 29 Te 0.16666666666667 0.33333333333333 0.53343316844521 127.600 > 2 30 Te 0.66666666666667 0.33333333333333 0.53343316844521 127.600 > 2 31 Te 0.16666666666667 0.83333333333333 0.53343316844521 127.600 > 2 32 Te 0.66666666666667 0.83333333333333 0.53343316844521 127.600 > 2 33 Te 0.33333333333333 0.16666666666667 0.62694418362136 127.600 > 3 34 Te 0.83333333333333 0.16666666666667 0.62694418362136 127.600 > 3 35 Te 0.33333333333333 0.66666666666667 0.62694418362136 127.600 > 3 36 Te 0.83333333333333 0.66666666666667 0.62694418362136 127.600 > 3 37 Te 0.33333333333333 0.16666666666667 0.46656683155479 127.600 > 4 38 Te 0.83333333333333 0.16666666666667 0.46656683155479 127.600 > 4 39 Te 0.33333333333333 0.66666666666667 0.46656683155479 127.600 > 4 40 Te 0.83333333333333 0.66666666666667 0.46656683155479 127.600 > 4 41 Te 0.16666666666667 0.33333333333333 0.37305581637864 127.600 > 5 42 Te 0.66666666666667 0.33333333333333 0.37305581637864 127.600 > 5 43 Te 0.16666666666667 0.83333333333333 0.37305581637864 127.600 > 5 44 Te 0.66666666666667 0.83333333333333 0.37305581637864 127.600 > 5 45 Te 0.00000000000000 0.00000000000000 0.86676650177855 127.600 > 2 46 Te 0.50000000000000 0.00000000000000 0.86676650177855 127.600 > 2 47 Te 0.00000000000000 0.50000000000000 0.86676650177855 127.600 > 2 48 Te 0.50000000000000 0.50000000000000 0.86676650177855 127.600 > 2 49 Te 0.16666666666667 0.33333333333333 0.96027751695469 127.600 > 3 50 Te 0.66666666666667 0.33333333333333 0.96027751695469 127.600 > 3 51 Te 0.16666666666667 0.83333333333333 0.96027751695469 127.600 > 3 52 Te 0.66666666666667 0.83333333333333 0.96027751695469 127.600 > 3 53 Te 0.16666666666667 0.33333333333333 0.79990016488812 127.600 > 4 54 Te 0.66666666666667 0.33333333333333 0.79990016488812 127.600 > 4 55 Te 0.16666666666667 0.83333333333333 0.79990016488812 127.600 > 4 56 Te 0.66666666666667 0.83333333333333 0.79990016488812 127.600 > 4 57 Te 0.00000000000000 0.00000000000000 0.70638914971198 127.600 > 5 58 Te 0.50000000000000 0.00000000000000 0.70638914971198 127.600 > 5 59 Te 0.00000000000000 0.50000000000000 0.70638914971198 127.600 > 5 60 Te 0.50000000000000 0.50000000000000 0.70638914971198 127.600 > 5 *61 Bi 0.16666666666667 0.33333333333333 0.24306542476722 208.980 > 6 62 Bi 0.66666666666667 0.33333333333333 0.24306542476722 208.980 > 6 63 Bi 0.16666666666667 0.83333333333333 0.24306542476722 208.980 > 6 64 Bi 0.66666666666667 0.83333333333333 0.24306542476722 208.980 > 6 65 Bi 0.16666666666667 0.33333333333333 0.09026790856612 208.980 > 7 66 Bi 0.66666666666667 0.33333333333333 0.09026790856612 208.980 > 7 67 Bi 0.16666666666667 0.83333333333333 0.09026790856612 208.980 > 7 68 Bi 0.66666666666667 0.83333333333333 0.09026790856612 208.980 > 7 69 Bi 0.00000000000000 0.00000000000000 0.57639875810055 208.980 > 6 70 Bi 0.50000000000000 0.00000000000000 0.57639875810055 208.980 > 6 71 Bi 0.00000000000000 0.50000000000000 0.57639875810055 208.980 > 6 72 Bi 0.50000000000000 0.50000000000000 0.57639875810055 208.980 > 6 73 Bi 0.00000000000000 0.00000000000000 0.42360124189945 208.980 > 7 74 Bi 0.50000000000000 0.00000000000000 0.42360124189945 208.980 > 7 75 Bi 0.00000000000000 0.50000000000000 0.42360124189945 208.980 > 7 76 Bi 0.50000000000000 0.50000000000000 0.42360124189945 208.980 > 7 77 Bi 0.33333333333333 0.16666666666667 0.90973209143388 208.980 > 6 78 Bi 0.83333333333333 0.16666666666667 0.90973209143388 208.980 > 6 79 Bi 0.33333333333333 0.66666666666667 0.90973209143388 208.980 > 6 80 Bi 0.83333333333333 0.66666666666667 0.90973209143388 208.980 > 6 81 Bi 0.33333333333333 0.16666666666667 0.75693457523278 208.980 > 7 82 Bi 0.83333333333333 0.16666666666667 0.75693457523278 208.980 > 7 83 Bi 0.33333333333333 0.66666666666667 0.75693457523278 208.980 > 7 84 Bi 0.83333333333333 0.66666666666667 0.75693457523278 208.980 > 7----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 47.0769204 0.0000000 0.0000000 0.0000000 47.0769204 0.0000000 0.0000000 0.0000000 38.5101464-------------------------- Born effective charges -------------------------- 1 Ge 8.0272447 -0.0000000 0.0000000 0.0000000 8.0272447 0.0000000 0.0000000 0.0000000 3.5812352 2 Te -4.6949182 -0.0000000 0.0000000 0.0000000 -4.6949182 0.0000000 0.0000000 0.0000000 -1.4506393 3 Te -6.9147508 -0.0000000 0.0000000 0.0000000 -6.9147508 0.0000000 0.0000000 0.0000000 -4.6971439 4 Te -4.6949182 -0.0000000 0.0000000 0.0000000 -4.6949182 0.0000000 0.0000000 0.0000000 -1.4506393 5 Te -6.9147508 -0.0000000 0.0000000 0.0000000 -6.9147508 0.0000000 0.0000000 0.0000000 -4.6971439 6 Bi 7.5960467 0.0000000 0.0000000 0.0000000 7.5960467 0.0000000 0.0000000 0.0000000 4.3571655 7 Bi 7.5960467 0.0000000 0.0000000 0.0000000 7.5960467 0.0000000 0.0000000 0.0000000 4.3571655----------------------------------------------------------------------------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: 3486/3486Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 294Number of blocks in projector: 397Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 132Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 88Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 74Use standard eigh solver.Tree of FC basis block matrices:- (294, 286), data: False|-- (74, 74), data: True|-- (88, 84), data: True|-- (132, 128), data: True-----Solver_atoms: 1 -- 84 / 84Time (Solver_compr_matrix_reshape): 0.004Solver_block: 80 / 80 - Time: 0.152Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.158--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 252/252Permutation basis: 3486/3486Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 294Number of blocks in projector: 397Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 132Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 88Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 74Use standard eigh solver.Tree of FC basis block matrices:- (294, 286), data: False|-- (74, 74), data: True|-- (88, 84), data: True|-- (132, 128), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 06:39:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 06:39:37]-------------------------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 2 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.155157510945349 1.244280769090338 13.656957649999987 b -2.155157510945344 1.244280769090338 13.656957649999987 c 0.000000000000002 -2.488561538180680 13.656957649999987Atomic positions (fractional): 1 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 2 Te 0.86676650177855 0.86676650177855 0.86676650177855 127.600 3 Te 0.29361085028802 0.29361085028802 0.29361085028802 127.600 4 Te 0.13323349822145 0.13323349822145 0.13323349822145 127.600 5 Te 0.70638914971198 0.70638914971198 0.70638914971198 127.600 6 Bi 0.57639875810055 0.57639875810055 0.57639875810055 208.980 7 Bi 0.42360124189945 0.42360124189945 0.42360124189945 208.980-------------------------------- supercell ---------------------------------Lattice vectors: a 8.620630043781386 0.000000000000000 0.000000000000000 b -4.310315021890692 7.465684614542038 0.000000000000000 c 0.000000000000000 0.000000000000000 40.970872950000000Atomic positions (fractional): 1 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 1 2 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 1 3 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 1 4 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 1 5 Ge 0.33333333333333 0.16666666666667 0.33333333333333 72.640 > 1 6 Ge 0.83333333333333 0.16666666666667 0.33333333333333 72.640 > 1 7 Ge 0.33333333333333 0.66666666666667 0.33333333333333 72.640 > 1 8 Ge 0.83333333333333 0.66666666666667 0.33333333333333 72.640 > 1 9 Ge 0.16666666666667 0.33333333333333 0.66666666666667 72.640 > 1 10 Ge 0.66666666666667 0.33333333333333 0.66666666666667 72.640 > 1 11 Ge 0.16666666666667 0.83333333333333 0.66666666666667 72.640 > 1 12 Ge 0.66666666666667 0.83333333333333 0.66666666666667 72.640 > 1 13 Te 0.33333333333333 0.16666666666667 0.20009983511188 127.600 > 13 14 Te 0.83333333333333 0.16666666666667 0.20009983511188 127.600 > 13 15 Te 0.33333333333333 0.66666666666667 0.20009983511188 127.600 > 13 16 Te 0.83333333333333 0.66666666666667 0.20009983511188 127.600 > 13 17 Te 0.00000000000000 0.00000000000000 0.29361085028802 127.600 > 17 18 Te 0.50000000000000 0.00000000000000 0.29361085028802 127.600 > 17 19 Te 0.00000000000000 0.50000000000000 0.29361085028802 127.600 > 17 20 Te 0.50000000000000 0.50000000000000 0.29361085028802 127.600 > 17 21 Te 0.00000000000000 0.00000000000000 0.13323349822145 127.600 > 21 22 Te 0.50000000000000 0.00000000000000 0.13323349822145 127.600 > 21 23 Te 0.00000000000000 0.50000000000000 0.13323349822145 127.600 > 21 24 Te 0.50000000000000 0.50000000000000 0.13323349822145 127.600 > 21 25 Te 0.33333333333333 0.16666666666667 0.03972248304531 127.600 > 25 26 Te 0.83333333333333 0.16666666666667 0.03972248304531 127.600 > 25 27 Te 0.33333333333333 0.66666666666667 0.03972248304531 127.600 > 25 28 Te 0.83333333333333 0.66666666666667 0.03972248304531 127.600 > 25 29 Te 0.16666666666667 0.33333333333333 0.53343316844521 127.600 > 13 30 Te 0.66666666666667 0.33333333333333 0.53343316844521 127.600 > 13 31 Te 0.16666666666667 0.83333333333333 0.53343316844521 127.600 > 13 32 Te 0.66666666666667 0.83333333333333 0.53343316844521 127.600 > 13 33 Te 0.33333333333333 0.16666666666667 0.62694418362136 127.600 > 17 34 Te 0.83333333333333 0.16666666666667 0.62694418362136 127.600 > 17 35 Te 0.33333333333333 0.66666666666667 0.62694418362136 127.600 > 17 36 Te 0.83333333333333 0.66666666666667 0.62694418362136 127.600 > 17 37 Te 0.33333333333333 0.16666666666667 0.46656683155479 127.600 > 21 38 Te 0.83333333333333 0.16666666666667 0.46656683155479 127.600 > 21 39 Te 0.33333333333333 0.66666666666667 0.46656683155479 127.600 > 21 40 Te 0.83333333333333 0.66666666666667 0.46656683155479 127.600 > 21 41 Te 0.16666666666667 0.33333333333333 0.37305581637864 127.600 > 25 42 Te 0.66666666666667 0.33333333333333 0.37305581637864 127.600 > 25 43 Te 0.16666666666667 0.83333333333333 0.37305581637864 127.600 > 25 44 Te 0.66666666666667 0.83333333333333 0.37305581637864 127.600 > 25 45 Te 0.00000000000000 0.00000000000000 0.86676650177855 127.600 > 13 46 Te 0.50000000000000 0.00000000000000 0.86676650177855 127.600 > 13 47 Te 0.00000000000000 0.50000000000000 0.86676650177855 127.600 > 13 48 Te 0.50000000000000 0.50000000000000 0.86676650177855 127.600 > 13 49 Te 0.16666666666667 0.33333333333333 0.96027751695469 127.600 > 17 50 Te 0.66666666666667 0.33333333333333 0.96027751695469 127.600 > 17 51 Te 0.16666666666667 0.83333333333333 0.96027751695469 127.600 > 17 52 Te 0.66666666666667 0.83333333333333 0.96027751695469 127.600 > 17 53 Te 0.16666666666667 0.33333333333333 0.79990016488812 127.600 > 21 54 Te 0.66666666666667 0.33333333333333 0.79990016488812 127.600 > 21 55 Te 0.16666666666667 0.83333333333333 0.79990016488812 127.600 > 21 56 Te 0.66666666666667 0.83333333333333 0.79990016488812 127.600 > 21 57 Te 0.00000000000000 0.00000000000000 0.70638914971198 127.600 > 25 58 Te 0.50000000000000 0.00000000000000 0.70638914971198 127.600 > 25 59 Te 0.00000000000000 0.50000000000000 0.70638914971198 127.600 > 25 60 Te 0.50000000000000 0.50000000000000 0.70638914971198 127.600 > 25 61 Bi 0.16666666666667 0.33333333333333 0.24306542476722 208.980 > 61 62 Bi 0.66666666666667 0.33333333333333 0.24306542476722 208.980 > 61 63 Bi 0.16666666666667 0.83333333333333 0.24306542476722 208.980 > 61 64 Bi 0.66666666666667 0.83333333333333 0.24306542476722 208.980 > 61 65 Bi 0.16666666666667 0.33333333333333 0.09026790856612 208.980 > 65 66 Bi 0.66666666666667 0.33333333333333 0.09026790856612 208.980 > 65 67 Bi 0.16666666666667 0.83333333333333 0.09026790856612 208.980 > 65 68 Bi 0.66666666666667 0.83333333333333 0.09026790856612 208.980 > 65 69 Bi 0.00000000000000 0.00000000000000 0.57639875810055 208.980 > 61 70 Bi 0.50000000000000 0.00000000000000 0.57639875810055 208.980 > 61 71 Bi 0.00000000000000 0.50000000000000 0.57639875810055 208.980 > 61 72 Bi 0.50000000000000 0.50000000000000 0.57639875810055 208.980 > 61 73 Bi 0.00000000000000 0.00000000000000 0.42360124189945 208.980 > 65 74 Bi 0.50000000000000 0.00000000000000 0.42360124189945 208.980 > 65 75 Bi 0.00000000000000 0.50000000000000 0.42360124189945 208.980 > 65 76 Bi 0.50000000000000 0.50000000000000 0.42360124189945 208.980 > 65 77 Bi 0.33333333333333 0.16666666666667 0.90973209143388 208.980 > 61 78 Bi 0.83333333333333 0.16666666666667 0.90973209143388 208.980 > 61 79 Bi 0.33333333333333 0.66666666666667 0.90973209143388 208.980 > 61 80 Bi 0.83333333333333 0.66666666666667 0.90973209143388 208.980 > 61 81 Bi 0.33333333333333 0.16666666666667 0.75693457523278 208.980 > 65 82 Bi 0.83333333333333 0.16666666666667 0.75693457523278 208.980 > 65 83 Bi 0.33333333333333 0.66666666666667 0.75693457523278 208.980 > 65 84 Bi 0.83333333333333 0.66666666666667 0.75693457523278 208.980 > 65----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 47.0769204 0.0000000 0.0000000 0.0000000 47.0769204 0.0000000 0.0000000 0.0000000 38.5101464-------------------------- Born effective charges -------------------------- 1 Ge 8.0272447 -0.0000000 0.0000000 0.0000000 8.0272447 0.0000000 0.0000000 0.0000000 3.5812352 2 Te -4.6949182 -0.0000000 0.0000000 0.0000000 -4.6949182 0.0000000 0.0000000 0.0000000 -1.4506393 3 Te -6.9147508 -0.0000000 0.0000000 0.0000000 -6.9147508 0.0000000 0.0000000 0.0000000 -4.6971439 4 Te -4.6949182 -0.0000000 0.0000000 0.0000000 -4.6949182 0.0000000 0.0000000 0.0000000 -1.4506393 5 Te -6.9147508 -0.0000000 0.0000000 0.0000000 -6.9147508 0.0000000 0.0000000 0.0000000 -4.6971439 6 Bi 7.5960467 0.0000000 0.0000000 0.0000000 7.5960467 0.0000000 0.0000000 0.0000000 4.3571655 7 Bi 7.5960467 0.0000000 0.0000000 0.0000000 7.5960467 0.0000000 0.0000000 0.0000000 4.3571655----------------------------------------------------------------------------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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 13, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 0.0000 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: -0.00000008 (xzx) -0.00000008 (xzx) -0.00000008 (xxz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) 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 2026-01-08 06:39:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 06:39:43]-------------------------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 2 1]Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333]Spacegroup: R-3m (166)------------------------------ primitive cell ------------------------------Lattice vectors: a 2.155157510945349 1.244280769090338 13.656957649999987 b -2.155157510945344 1.244280769090338 13.656957649999987 c 0.000000000000002 -2.488561538180680 13.656957649999987Atomic positions (fractional): 1 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 2 Te 0.86676650177855 0.86676650177855 0.86676650177855 127.600 3 Te 0.29361085028802 0.29361085028802 0.29361085028802 127.600 4 Te 0.13323349822145 0.13323349822145 0.13323349822145 127.600 5 Te 0.70638914971198 0.70638914971198 0.70638914971198 127.600 6 Bi 0.57639875810055 0.57639875810055 0.57639875810055 208.980 7 Bi 0.42360124189945 0.42360124189945 0.42360124189945 208.980-------------------------------- supercell ---------------------------------Lattice vectors: a 8.620630043781386 0.000000000000000 0.000000000000000 b -4.310315021890692 7.465684614542038 0.000000000000000 c 0.000000000000000 0.000000000000000 40.970872950000000Atomic positions (fractional): 1 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 1 2 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 1 3 Ge 0.00000000000000 0.50000000000000 0.00000000000000 72.640 > 1 4 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 1 5 Ge 0.33333333333333 0.16666666666667 0.33333333333333 72.640 > 1 6 Ge 0.83333333333333 0.16666666666667 0.33333333333333 72.640 > 1 7 Ge 0.33333333333333 0.66666666666667 0.33333333333333 72.640 > 1 8 Ge 0.83333333333333 0.66666666666667 0.33333333333333 72.640 > 1 9 Ge 0.16666666666667 0.33333333333333 0.66666666666667 72.640 > 1 10 Ge 0.66666666666667 0.33333333333333 0.66666666666667 72.640 > 1 11 Ge 0.16666666666667 0.83333333333333 0.66666666666667 72.640 > 1 12 Ge 0.66666666666667 0.83333333333333 0.66666666666667 72.640 > 1 13 Te 0.33333333333333 0.16666666666667 0.20009983511188 127.600 > 13 14 Te 0.83333333333333 0.16666666666667 0.20009983511188 127.600 > 13 15 Te 0.33333333333333 0.66666666666667 0.20009983511188 127.600 > 13 16 Te 0.83333333333333 0.66666666666667 0.20009983511188 127.600 > 13 17 Te 0.00000000000000 0.00000000000000 0.29361085028802 127.600 > 17 18 Te 0.50000000000000 0.00000000000000 0.29361085028802 127.600 > 17 19 Te 0.00000000000000 0.50000000000000 0.29361085028802 127.600 > 17 20 Te 0.50000000000000 0.50000000000000 0.29361085028802 127.600 > 17 21 Te 0.00000000000000 0.00000000000000 0.13323349822145 127.600 > 21 22 Te 0.50000000000000 0.00000000000000 0.13323349822145 127.600 > 21 23 Te 0.00000000000000 0.50000000000000 0.13323349822145 127.600 > 21 24 Te 0.50000000000000 0.50000000000000 0.13323349822145 127.600 > 21 25 Te 0.33333333333333 0.16666666666667 0.03972248304531 127.600 > 25 26 Te 0.83333333333333 0.16666666666667 0.03972248304531 127.600 > 25 27 Te 0.33333333333333 0.66666666666667 0.03972248304531 127.600 > 25 28 Te 0.83333333333333 0.66666666666667 0.03972248304531 127.600 > 25 29 Te 0.16666666666667 0.33333333333333 0.53343316844521 127.600 > 13 30 Te 0.66666666666667 0.33333333333333 0.53343316844521 127.600 > 13 31 Te 0.16666666666667 0.83333333333333 0.53343316844521 127.600 > 13 32 Te 0.66666666666667 0.83333333333333 0.53343316844521 127.600 > 13 33 Te 0.33333333333333 0.16666666666667 0.62694418362136 127.600 > 17 34 Te 0.83333333333333 0.16666666666667 0.62694418362136 127.600 > 17 35 Te 0.33333333333333 0.66666666666667 0.62694418362136 127.600 > 17 36 Te 0.83333333333333 0.66666666666667 0.62694418362136 127.600 > 17 37 Te 0.33333333333333 0.16666666666667 0.46656683155479 127.600 > 21 38 Te 0.83333333333333 0.16666666666667 0.46656683155479 127.600 > 21 39 Te 0.33333333333333 0.66666666666667 0.46656683155479 127.600 > 21 40 Te 0.83333333333333 0.66666666666667 0.46656683155479 127.600 > 21 41 Te 0.16666666666667 0.33333333333333 0.37305581637864 127.600 > 25 42 Te 0.66666666666667 0.33333333333333 0.37305581637864 127.600 > 25 43 Te 0.16666666666667 0.83333333333333 0.37305581637864 127.600 > 25 44 Te 0.66666666666667 0.83333333333333 0.37305581637864 127.600 > 25 45 Te 0.00000000000000 0.00000000000000 0.86676650177855 127.600 > 13 46 Te 0.50000000000000 0.00000000000000 0.86676650177855 127.600 > 13 47 Te 0.00000000000000 0.50000000000000 0.86676650177855 127.600 > 13 48 Te 0.50000000000000 0.50000000000000 0.86676650177855 127.600 > 13 49 Te 0.16666666666667 0.33333333333333 0.96027751695469 127.600 > 17 50 Te 0.66666666666667 0.33333333333333 0.96027751695469 127.600 > 17 51 Te 0.16666666666667 0.83333333333333 0.96027751695469 127.600 > 17 52 Te 0.66666666666667 0.83333333333333 0.96027751695469 127.600 > 17 53 Te 0.16666666666667 0.33333333333333 0.79990016488812 127.600 > 21 54 Te 0.66666666666667 0.33333333333333 0.79990016488812 127.600 > 21 55 Te 0.16666666666667 0.83333333333333 0.79990016488812 127.600 > 21 56 Te 0.66666666666667 0.83333333333333 0.79990016488812 127.600 > 21 57 Te 0.00000000000000 0.00000000000000 0.70638914971198 127.600 > 25 58 Te 0.50000000000000 0.00000000000000 0.70638914971198 127.600 > 25 59 Te 0.00000000000000 0.50000000000000 0.70638914971198 127.600 > 25 60 Te 0.50000000000000 0.50000000000000 0.70638914971198 127.600 > 25 61 Bi 0.16666666666667 0.33333333333333 0.24306542476722 208.980 > 61 62 Bi 0.66666666666667 0.33333333333333 0.24306542476722 208.980 > 61 63 Bi 0.16666666666667 0.83333333333333 0.24306542476722 208.980 > 61 64 Bi 0.66666666666667 0.83333333333333 0.24306542476722 208.980 > 61 65 Bi 0.16666666666667 0.33333333333333 0.09026790856612 208.980 > 65 66 Bi 0.66666666666667 0.33333333333333 0.09026790856612 208.980 > 65 67 Bi 0.16666666666667 0.83333333333333 0.09026790856612 208.980 > 65 68 Bi 0.66666666666667 0.83333333333333 0.09026790856612 208.980 > 65 69 Bi 0.00000000000000 0.00000000000000 0.57639875810055 208.980 > 61 70 Bi 0.50000000000000 0.00000000000000 0.57639875810055 208.980 > 61 71 Bi 0.00000000000000 0.50000000000000 0.57639875810055 208.980 > 61 72 Bi 0.50000000000000 0.50000000000000 0.57639875810055 208.980 > 61 73 Bi 0.00000000000000 0.00000000000000 0.42360124189945 208.980 > 65 74 Bi 0.50000000000000 0.00000000000000 0.42360124189945 208.980 > 65 75 Bi 0.00000000000000 0.50000000000000 0.42360124189945 208.980 > 65 76 Bi 0.50000000000000 0.50000000000000 0.42360124189945 208.980 > 65 77 Bi 0.33333333333333 0.16666666666667 0.90973209143388 208.980 > 61 78 Bi 0.83333333333333 0.16666666666667 0.90973209143388 208.980 > 61 79 Bi 0.33333333333333 0.66666666666667 0.90973209143388 208.980 > 61 80 Bi 0.83333333333333 0.66666666666667 0.90973209143388 208.980 > 61 81 Bi 0.33333333333333 0.16666666666667 0.75693457523278 208.980 > 65 82 Bi 0.83333333333333 0.16666666666667 0.75693457523278 208.980 > 65 83 Bi 0.33333333333333 0.66666666666667 0.75693457523278 208.980 > 65 84 Bi 0.83333333333333 0.66666666666667 0.75693457523278 208.980 > 65----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 47.0769204 0.0000000 0.0000000 0.0000000 47.0769204 0.0000000 0.0000000 0.0000000 38.5101464-------------------------- Born effective charges -------------------------- 1 Ge 8.0272447 -0.0000000 0.0000000 0.0000000 8.0272447 0.0000000 0.0000000 0.0000000 3.5812352 2 Te -4.6949182 -0.0000000 0.0000000 0.0000000 -4.6949182 0.0000000 0.0000000 0.0000000 -1.4506393 3 Te -6.9147508 -0.0000000 0.0000000 0.0000000 -6.9147508 0.0000000 0.0000000 0.0000000 -4.6971439 4 Te -4.6949182 -0.0000000 0.0000000 0.0000000 -4.6949182 0.0000000 0.0000000 0.0000000 -1.4506393 5 Te -6.9147508 -0.0000000 0.0000000 0.0000000 -6.9147508 0.0000000 0.0000000 0.0000000 -4.6971439 6 Bi 7.5960467 0.0000000 0.0000000 0.0000000 7.5960467 0.0000000 0.0000000 0.0000000 4.3571655 7 Bi 7.5960467 0.0000000 0.0000000 0.0000000 7.5960467 0.0000000 0.0000000 0.0000000 4.3571655----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000008 (xzx) -0.00000008 (xzx) -0.00000008 (xxz)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 13 13 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: 0.69, Number of G-points: 271, Lambda: 0.48Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/231) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 231Calculating 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 0.959 ( 0.000 0.000 0.000) 0.000 0.959 ( 0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 0.000) 0.000 4.378 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/231) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.350 ( 15.010 8.666 -0.564) 17.341 0.465 ( 18.620 10.750 -1.101) 21.529 0.628 ( 25.049 14.462 2.256) 29.012 0.996 ( 2.879 1.662 0.195) 3.330 1.076 ( 8.691 5.018 -1.432) 10.137 1.326 ( -0.674 -0.389 0.108) 0.786 1.745 ( 4.500 2.598 1.366) 5.372 1.890 ( 2.402 1.387 -0.071) 2.774 2.029 ( 3.807 2.198 1.145) 4.542 2.443 ( -0.836 -0.483 0.671) 1.176 3.029 ( -3.029 -1.749 -0.429) 3.524 3.068 ( -0.542 -0.313 -0.406) 0.746 3.222 ( -0.958 -0.553 -0.025) 1.106 3.265 ( 2.716 1.568 -0.811) 3.239 3.368 ( -4.001 -2.310 -1.604) 4.891 3.388 ( -3.372 -1.947 -0.779) 3.971 3.420 ( 2.217 1.280 -0.442) 2.598 3.832 ( 6.653 3.841 -26.958) 28.031 3.869 ( -3.089 -1.783 21.529) 21.822 4.328 ( -4.108 -2.372 -1.205) 4.894 4.531 ( -7.881 -4.550 1.946) 9.306======================= Grid point 2 (3/231) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.693 ( 13.426 7.752 -0.804) 15.524 0.859 ( 14.232 8.217 -1.658) 16.517 1.081 ( 3.753 2.167 0.916) 4.429 1.148 ( 14.902 8.604 1.360) 17.261 1.284 ( 7.462 4.308 -5.792) 10.382 1.366 ( 7.400 4.272 5.561) 10.195 1.852 ( 3.995 2.306 0.366) 4.627 1.971 ( 4.475 2.584 0.120) 5.169 2.195 ( 9.599 5.542 2.941) 11.468 2.430 ( -0.119 -0.068 0.242) 0.278 2.938 ( -4.039 -2.332 -0.536) 4.695 3.026 ( -2.873 -1.659 -0.619) 3.375 3.191 ( -1.595 -0.921 0.432) 1.892 3.247 ( -5.163 -2.981 -0.466) 5.980 3.265 ( -6.638 -3.833 -1.792) 7.872 3.338 ( 2.235 1.290 -2.373) 3.506 3.475 ( 1.997 1.153 1.977) 3.037 3.773 ( -5.690 -3.285 3.818) 7.600 3.963 ( 4.155 2.399 -7.185) 8.639 4.170 ( -9.091 -5.249 -6.034) 12.108 4.305 ( -9.591 -5.537 6.944) 13.071======================= Grid point 3 (4/231) =======================q-point: ( 0.23 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 9.696 5.598 -2.054) 11.382 1.123 ( 8.045 4.645 -2.447) 9.606 1.156 ( 2.139 1.235 1.878) 3.103 1.235 ( -1.053 -0.608 3.887) 4.073 1.528 ( 10.096 5.829 -2.401) 11.902 1.607 ( 7.498 4.329 1.713) 8.826 1.944 ( 3.822 2.206 -0.350) 4.427 2.131 ( 9.590 5.537 0.459) 11.083 2.445 ( 1.326 0.765 -0.629) 1.655 2.454 ( 10.743 6.203 2.616) 12.678 2.860 ( -2.098 -1.211 -0.271) 2.438 2.934 ( -4.657 -2.689 -0.416) 5.393 3.070 ( -8.863 -5.117 -0.462) 10.244 3.135 ( -3.545 -2.047 0.196) 4.098 3.157 ( -1.463 -0.844 -0.692) 1.825 3.348 ( -0.980 -0.566 -4.440) 4.582 3.498 ( -2.961 -1.710 3.653) 5.003 3.582 ( -9.442 -5.452 -1.837) 11.057 3.852 ( -10.981 -6.340 -3.222) 13.083 3.986 ( -5.300 -3.060 0.921) 6.189 4.205 ( 0.286 0.165 2.329) 2.353======================= Grid point 4 (5/231) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 3.873 2.236 -2.728) 5.238 1.161 ( -1.396 -0.806 1.301) 2.072 1.194 ( -1.368 -0.790 4.946) 5.192 1.262 ( 3.811 2.200 -2.153) 4.899 1.676 ( -0.584 -0.337 0.264) 0.724 1.738 ( 7.766 4.484 -1.417) 9.079 2.028 ( 3.106 1.793 -0.298) 3.598 2.360 ( 5.202 3.003 -0.186) 6.009 2.491 ( 4.220 2.436 0.036) 4.873 2.672 ( 6.273 3.621 0.734) 7.280 2.775 ( -7.520 -4.342 -1.605) 8.830 2.812 ( -5.146 -2.971 -0.572) 5.969 2.940 ( 1.488 0.859 1.237) 2.117 3.103 ( 0.546 0.315 -1.093) 1.262 3.129 ( -0.833 -0.481 0.450) 1.062 3.170 ( -15.420 -8.903 -0.689) 17.819 3.293 ( -3.585 -2.070 -5.089) 6.560 3.497 ( -3.666 -2.117 4.565) 6.226 3.621 ( -8.070 -4.659 -1.549) 9.446 3.870 ( -3.765 -2.173 1.352) 4.552 4.240 ( 1.453 0.839 0.730) 1.829======================= Grid point 5 (6/231) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( -5.185 -2.993 4.451) 7.460 1.104 ( -3.009 -1.737 0.429) 3.501 1.282 ( 4.294 2.479 -3.912) 6.315 1.318 ( 1.547 0.893 -1.521) 2.346 1.634 ( -2.220 -1.282 1.090) 2.785 1.863 ( 1.767 1.020 -2.282) 3.061 2.087 ( 1.948 1.124 -0.076) 2.250 2.320 ( -4.887 -2.822 0.086) 5.644 2.547 ( -8.446 -4.876 -1.268) 9.834 2.578 ( -1.242 -0.717 -0.438) 1.499 2.715 ( -2.729 -1.576 -0.547) 3.198 2.798 ( 3.256 1.880 0.143) 3.762 2.922 ( -1.506 -0.870 1.458) 2.270 3.042 ( 4.795 2.769 -0.163) 5.539 3.122 ( 0.054 0.031 1.775) 1.776 3.160 ( 1.545 0.892 -0.871) 1.985 3.198 ( -2.526 -1.459 -4.015) 4.963 3.382 ( -5.411 -3.124 2.716) 6.813 3.470 ( -4.599 -2.655 0.146) 5.313 3.816 ( -1.262 -0.729 0.477) 1.533 4.265 ( 0.566 0.327 0.424) 0.779======================= Grid point 6 (7/231) =======================q-point: ( 0.46 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( -2.584 -1.492 2.090) 3.643 1.045 ( -1.530 -0.883 -0.012) 1.767 1.339 ( 0.459 0.265 -0.529) 0.749 1.350 ( 1.741 1.005 -2.346) 3.089 1.610 ( 0.273 0.158 2.013) 2.037 1.790 ( -4.909 -2.834 -3.230) 6.524 2.119 ( 0.692 0.400 0.006) 0.799 2.257 ( -0.351 -0.203 0.709) 0.817 2.397 ( -3.426 -1.978 -0.482) 3.986 2.511 ( -2.063 -1.191 0.243) 2.395 2.680 ( -0.400 -0.231 0.725) 0.860 2.847 ( 0.984 0.568 0.130) 1.143 2.966 ( 1.607 0.928 0.321) 1.884 3.105 ( -1.687 -0.974 -2.182) 2.925 3.121 ( 1.702 0.983 -4.080) 4.529 3.134 ( 0.473 0.273 4.599) 4.632 3.212 ( 0.192 0.111 -0.126) 0.255 3.311 ( -0.481 -0.278 0.263) 0.615 3.390 ( -2.116 -1.221 0.839) 2.583 3.800 ( -0.274 -0.158 0.082) 0.327 4.272 ( 0.069 0.040 0.141) 0.162======================= Grid point 14 (8/231) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.357 ( 0.000 17.437 2.360) 17.596 0.479 ( 0.000 21.411 3.764) 21.739 0.622 ( 0.000 28.969 0.057) 28.969 0.989 ( -0.000 3.133 -2.095) 3.769 1.077 ( 0.000 10.178 -1.227) 10.252 1.323 ( -0.000 -0.951 -0.981) 1.366 1.747 ( 0.000 5.069 2.079) 5.479 1.888 ( 0.000 2.725 -0.651) 2.802 2.033 ( 0.000 4.456 2.554) 5.136 2.446 ( 0.000 -0.807 1.632) 1.821 3.029 ( -0.000 -3.466 -0.434) 3.493 3.069 ( -0.000 -0.460 -0.259) 0.528 3.214 ( -0.000 -1.376 -2.618) 2.958 3.264 ( -0.000 3.368 -1.355) 3.630 3.360 ( -0.000 -4.156 -5.398) 6.812 3.393 ( -0.000 -3.625 0.901) 3.735 3.410 ( -0.000 2.315 -3.725) 4.386 3.729 ( -0.000 6.269 -25.324) 26.088 3.963 ( 0.000 -0.672 17.998) 18.010 4.328 ( -0.000 -4.448 -0.991) 4.557 4.533 ( -0.000 -9.536 2.546) 9.870======================= Grid point 15 (9/231) =======================q-point: ( 0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.604 ( 7.377 14.230 2.178) 16.176 0.792 ( 8.532 16.967 1.246) 19.032 1.023 ( 11.868 19.329 0.412) 22.685 1.066 ( 3.541 4.577 -1.494) 5.977 1.220 ( 4.216 9.093 -3.742) 10.699 1.326 ( 1.861 1.336 2.212) 3.184 1.827 ( 2.396 4.157 1.222) 4.951 1.944 ( 2.432 3.853 -0.566) 4.592 2.143 ( 4.600 7.972 4.440) 10.219 2.436 ( -0.605 -0.474 1.841) 1.995 2.961 ( -2.641 -4.399 -0.734) 5.183 3.038 ( -1.599 -2.443 -0.451) 2.954 3.183 ( -0.400 -2.385 -2.571) 3.530 3.278 ( -2.499 -5.090 -2.569) 6.225 3.302 ( -1.676 -1.719 -0.424) 2.438 3.346 ( -0.360 1.287 -0.627) 1.476 3.444 ( 2.067 1.020 -1.504) 2.752 3.803 ( 4.900 -0.940 -7.320) 8.858 3.943 ( -3.933 3.717 3.650) 6.528 4.228 ( -5.026 -6.134 -3.409) 8.632 4.362 ( -5.782 -12.701 4.445) 14.646======================= Grid point 16 (10/231) =======================q-point: ( 0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( 8.021 9.343 0.896) 12.347 1.076 ( 6.337 11.301 -0.844) 12.984 1.174 ( 1.750 5.803 0.712) 6.103 1.237 ( 1.648 0.980 -0.022) 1.917 1.419 ( 8.356 8.197 -1.893) 11.858 1.508 ( 9.376 7.450 2.566) 12.247 1.917 ( 2.971 4.069 0.031) 5.039 2.060 ( 5.502 6.299 -0.099) 8.364 2.355 ( 7.928 7.670 4.615) 11.957 2.432 ( 0.434 0.291 0.438) 0.682 2.860 ( -2.470 -4.883 -0.780) 5.528 2.969 ( -2.624 -2.990 -0.396) 3.998 3.145 ( -0.779 -3.084 -0.515) 3.222 3.166 ( -3.990 -4.049 -2.195) 6.093 3.179 ( -5.845 -4.091 -0.622) 7.161 3.364 ( -1.130 1.737 -3.268) 3.870 3.490 ( 2.372 -0.726 1.972) 3.169 3.746 ( -9.491 -0.687 -0.772) 9.547 3.938 ( -4.114 -4.128 -2.999) 6.554 4.009 ( -5.298 -7.077 -3.188) 9.397 4.170 ( -1.597 -9.273 5.117) 10.711======================= Grid point 17 (11/231) =======================q-point: ( 0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( 5.649 4.788 -1.313) 7.521 1.217 ( -1.735 2.119 2.503) 3.710 1.252 ( 2.819 7.061 -1.079) 7.679 1.256 ( -1.875 3.796 2.026) 4.693 1.630 ( 8.451 4.143 -0.369) 9.419 1.662 ( 2.450 1.046 -0.377) 2.691 2.011 ( 2.393 4.309 -0.248) 4.935 2.274 ( 8.558 7.243 -0.012) 11.211 2.448 ( 1.777 -0.205 0.175) 1.798 2.571 ( 7.688 3.497 2.293) 8.752 2.782 ( -0.734 -4.943 -0.703) 5.046 2.896 ( -3.474 -0.692 0.031) 3.542 2.995 ( -7.850 -1.759 -0.187) 8.047 3.085 ( -0.750 -3.084 -1.061) 3.347 3.119 ( 0.257 -2.077 -0.843) 2.256 3.324 ( -3.235 -0.395 -4.045) 5.194 3.434 ( -17.717 -4.072 -1.552) 18.245 3.512 ( -0.942 -3.263 2.470) 4.199 3.722 ( -8.661 -4.458 -1.149) 9.808 3.892 ( -3.327 -6.165 1.208) 7.109 4.154 ( 5.197 -5.580 1.069) 7.700======================= Grid point 18 (12/231) =======================q-point: ( 0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( -2.842 -0.454 2.080) 3.550 1.223 ( 2.434 2.446 -1.995) 3.986 1.237 ( -6.154 5.726 1.759) 8.588 1.340 ( 0.192 5.393 -1.277) 5.545 1.660 ( -1.282 -0.848 0.396) 1.587 1.796 ( 6.046 1.330 -0.755) 6.236 2.083 ( 1.313 3.318 -0.146) 3.572 2.341 ( -2.691 -3.755 -0.348) 4.633 2.544 ( 5.043 1.711 -0.668) 5.367 2.672 ( -2.322 0.019 -0.112) 2.324 2.738 ( 0.199 -0.068 -0.616) 0.650 2.781 ( -4.424 -0.214 -0.484) 4.456 2.950 ( 1.546 -1.221 1.658) 2.575 3.025 ( -5.810 -3.382 -0.714) 6.761 3.116 ( -1.288 -1.087 -1.172) 2.053 3.150 ( -0.833 2.037 0.337) 2.227 3.249 ( -3.923 -0.505 -3.254) 5.121 3.443 ( -4.201 -4.110 3.598) 6.891 3.535 ( -7.113 -3.160 -0.882) 7.834 3.804 ( -0.494 -4.420 0.510) 4.477 4.189 ( 4.759 -5.773 0.405) 7.493======================= Grid point 19 (13/231) =======================q-point: ( 0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( -5.161 1.104 2.900) 6.022 1.179 ( -7.470 7.443 1.060) 10.598 1.293 ( 3.445 0.763 -4.318) 5.576 1.373 ( -1.291 3.563 -0.025) 3.789 1.634 ( -1.386 1.266 1.770) 2.580 1.824 ( -2.113 -2.597 -3.014) 4.505 2.129 ( 0.257 2.766 -0.186) 2.784 2.248 ( -1.114 -3.035 0.484) 3.269 2.528 ( -10.057 2.305 -0.380) 10.325 2.553 ( -2.561 -0.865 -0.278) 2.718 2.683 ( -1.492 -0.396 -0.135) 1.550 2.850 ( 2.307 2.462 0.426) 3.401 2.930 ( 2.003 -0.304 1.439) 2.485 3.023 ( 3.527 -3.175 -0.102) 4.747 3.107 ( 0.616 -0.292 -2.043) 2.154 3.172 ( -0.386 -0.724 -0.633) 1.036 3.223 ( -0.314 3.328 -0.387) 3.365 3.327 ( -3.283 -2.612 1.219) 4.369 3.411 ( -3.265 -3.424 1.031) 4.842 3.773 ( 1.121 -3.382 0.023) 3.563 4.205 ( 3.885 -6.048 -0.010) 7.189======================= Grid point 20 (14/231) =======================q-point: (-0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( -2.839 3.992 0.613) 4.937 1.149 ( -5.613 9.522 0.863) 11.087 1.338 ( 1.949 -0.932 -1.868) 2.856 1.372 ( -1.902 2.198 0.734) 2.998 1.637 ( -1.827 1.806 -0.553) 2.628 1.760 ( 0.316 1.448 0.729) 1.652 2.145 ( -1.167 2.136 0.127) 2.437 2.234 ( 1.061 -2.180 -0.057) 2.425 2.442 ( -3.341 5.939 0.629) 6.843 2.518 ( -0.967 1.586 -0.390) 1.898 2.672 ( -0.098 0.019 -0.156) 0.185 2.878 ( -1.218 1.802 -0.689) 2.281 2.960 ( 0.972 -1.987 0.012) 2.212 3.028 ( 2.215 -3.483 0.582) 4.168 3.118 ( 0.769 -0.394 -1.205) 1.483 3.178 ( -0.586 0.310 1.174) 1.348 3.217 ( 0.130 0.704 0.632) 0.954 3.302 ( -0.060 -0.294 -0.074) 0.309 3.357 ( 0.823 -2.057 -0.150) 2.220 3.767 ( 1.700 -2.957 -0.186) 3.416 4.207 ( 3.543 -6.152 -0.344) 7.108======================= Grid point 21 (15/231) =======================q-point: (-0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( 1.035 5.154 -1.629) 5.504 1.177 ( -3.114 10.227 0.297) 10.695 1.314 ( -2.080 -2.726 3.107) 4.628 1.371 ( -1.722 2.693 -0.790) 3.292 1.626 ( -0.223 2.120 -1.294) 2.494 1.840 ( 3.081 -0.073 2.452) 3.939 2.131 ( -2.624 1.250 0.441) 2.940 2.245 ( 3.374 -0.301 -0.297) 3.401 2.531 ( 2.765 8.746 0.470) 9.185 2.555 ( 2.610 3.257 0.644) 4.223 2.685 ( 1.296 1.513 0.423) 2.036 2.846 ( -3.112 -0.772 -1.023) 3.365 2.921 ( -0.986 -2.518 -1.623) 3.154 3.024 ( 0.688 -4.806 0.207) 4.859 3.114 ( -0.110 -0.755 0.519) 0.923 3.181 ( 1.513 0.392 2.526) 2.970 3.227 ( -3.250 2.151 1.087) 4.046 3.318 ( 3.578 1.179 -1.981) 4.257 3.406 ( 4.871 1.234 -0.697) 5.073 3.772 ( 2.315 -2.715 -0.504) 3.603 4.204 ( 3.276 -6.396 -0.557) 7.208======================= Grid point 22 (16/231) =======================q-point: (-0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( 2.286 3.467 -1.591) 4.447 1.223 ( -2.732 3.495 -1.493) 4.681 1.240 ( -3.959 2.537 2.106) 5.153 1.345 ( -4.249 2.316 0.756) 4.898 1.660 ( 1.476 1.000 0.172) 1.791 1.799 ( -4.102 -5.070 0.445) 6.536 2.084 ( -3.545 0.533 0.349) 3.602 2.343 ( 4.520 0.519 0.222) 4.555 2.549 ( -4.226 -3.376 1.204) 5.541 2.674 ( 0.858 1.366 0.483) 1.684 2.740 ( -0.532 -1.103 0.172) 1.237 2.784 ( 3.029 4.654 0.586) 5.584 2.941 ( 0.440 -1.983 -1.552) 2.556 3.030 ( 6.812 4.226 1.030) 8.083 3.120 ( 1.155 0.379 0.100) 1.220 3.149 ( -1.660 2.167 0.080) 2.731 3.270 ( 2.919 3.009 4.391) 6.071 3.418 ( 5.385 1.303 -5.010) 7.470 3.541 ( 6.558 4.776 1.330) 8.221 3.799 ( 3.938 -1.924 -1.308) 4.574 4.186 ( 2.571 -7.006 -0.632) 7.489======================= Grid point 23 (17/231) =======================q-point: (-0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( -7.361 -3.208 2.740) 8.484 1.197 ( 0.289 2.361 -4.144) 4.778 1.245 ( -3.260 4.457 -1.676) 5.771 1.261 ( -7.606 1.085 1.688) 7.866 1.631 ( -6.859 -5.426 0.114) 8.746 1.667 ( -3.066 -1.623 0.993) 3.608 2.013 ( -4.913 0.031 0.323) 4.924 2.273 ( -10.773 -3.798 -0.169) 11.424 2.450 ( -0.699 -1.721 0.623) 1.959 2.563 ( -7.445 -5.181 -0.757) 9.102 2.785 ( 4.700 -1.975 0.221) 5.103 2.895 ( 2.485 2.658 -0.256) 3.648 2.996 ( 5.594 5.975 -0.024) 8.185 3.089 ( 2.527 -0.874 0.247) 2.685 3.122 ( 2.149 -0.769 0.127) 2.286 3.349 ( 1.977 2.558 4.784) 5.774 3.442 ( 9.944 11.161 1.067) 14.986 3.496 ( 6.257 1.642 -3.056) 7.155 3.730 ( 8.426 5.123 1.542) 9.981 3.881 ( 7.052 -0.327 -2.553) 7.507 4.149 ( 1.942 -7.327 -0.672) 7.610======================= Grid point 24 (18/231) =======================q-point: (-0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( -12.345 -3.024 1.015) 12.750 1.082 ( -13.057 -0.493 1.222) 13.123 1.168 ( -5.474 1.899 -1.264) 5.931 1.233 ( -1.277 0.185 -1.299) 1.831 1.430 ( -10.010 -3.635 2.061) 10.847 1.495 ( -12.763 -4.255 -1.780) 13.571 1.917 ( -5.127 -0.662 0.127) 5.171 2.060 ( -8.114 -1.418 -0.280) 8.242 2.339 ( -11.035 -3.167 -1.124) 11.536 2.432 ( -0.659 -0.579 0.451) 0.986 2.863 ( 5.529 -0.277 0.222) 5.541 2.971 ( 4.008 0.722 0.156) 4.075 3.140 ( 3.935 0.793 -1.811) 4.404 3.172 ( 5.355 1.007 -0.133) 5.451 3.188 ( 6.022 2.278 2.247) 6.819 3.383 ( -1.396 1.289 3.179) 3.704 3.475 ( 0.023 -1.665 -3.133) 3.548 3.747 ( 4.214 7.878 -0.647) 8.958 3.957 ( 4.963 0.287 3.680) 6.185 4.025 ( 12.929 2.463 2.270) 13.356 4.142 ( 6.714 -3.782 -4.344) 8.846======================= Grid point 25 (19/231) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( -16.092 0.000 0.000) 16.092 0.788 ( -19.094 0.000 0.000) 19.094 1.022 ( -23.064 0.000 0.000) 23.064 1.071 ( -5.613 0.000 0.000) 5.613 1.232 ( -10.792 0.000 0.000) 10.792 1.318 ( -0.776 0.000 0.000) 0.776 1.823 ( -5.102 0.000 0.000) 5.102 1.945 ( -4.534 0.000 0.000) 4.534 2.131 ( -9.188 0.000 0.000) 9.188 2.430 ( 0.556 -0.000 -0.000) 0.556 2.963 ( 5.160 -0.000 -0.000) 5.160 3.040 ( 2.951 -0.000 -0.000) 2.951 3.190 ( 2.314 -0.000 -0.000) 2.314 3.285 ( 6.022 -0.000 -0.000) 6.022 3.303 ( 2.627 -0.000 -0.000) 2.627 3.348 ( -1.214 0.000 0.000) 1.214 3.449 ( -1.548 0.000 0.000) 1.548 3.829 ( 1.585 -0.000 -0.000) 1.585 3.928 ( -3.831 0.000 0.000) 3.831 4.240 ( 7.029 -0.000 -0.000) 7.029 4.346 ( 14.573 -0.000 -0.000) 14.573======================= Grid point 28 (20/231) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( 0.000 15.781 4.765) 16.485 0.888 ( 0.000 16.426 3.240) 16.743 1.059 ( -0.000 4.130 -2.838) 5.011 1.126 ( 0.000 14.534 -2.633) 14.771 1.300 ( -0.000 12.149 -4.539) 12.969 1.348 ( 0.000 7.389 4.021) 8.412 1.856 ( 0.000 4.548 0.873) 4.631 1.964 ( 0.000 5.060 -0.858) 5.132 2.211 ( 0.000 10.967 5.781) 12.397 2.444 ( 0.000 0.112 2.358) 2.360 2.938 ( -0.000 -4.641 -0.440) 4.661 3.027 ( -0.000 -3.478 -0.427) 3.504 3.157 ( -0.000 -2.861 -4.943) 5.711 3.226 ( -0.000 -5.939 -3.821) 7.062 3.290 ( 0.000 -6.593 1.843) 6.845 3.358 ( 0.000 4.271 1.210) 4.439 3.436 ( -0.000 1.304 -4.476) 4.662 3.715 ( -0.000 -2.188 -5.263) 5.700 4.025 ( 0.000 0.950 2.998) 3.145 4.211 ( -0.000 -4.927 -1.928) 5.291 4.266 ( -0.000 -16.729 2.868) 16.973======================= Grid point 29 (21/231) =======================q-point: ( 0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( 2.519 12.401 4.517) 13.436 1.098 ( 4.538 11.090 1.436) 12.068 1.150 ( 5.472 3.972 -1.592) 6.946 1.207 ( 2.663 1.085 -3.120) 4.243 1.438 ( 0.827 10.827 -1.115) 10.915 1.501 ( 3.229 12.897 2.550) 13.537 1.920 ( 1.856 4.710 0.277) 5.070 2.054 ( 3.085 7.758 -0.535) 8.366 2.366 ( 2.608 10.789 5.744) 12.498 2.444 ( -0.806 0.705 1.264) 1.656 2.860 ( -3.134 -4.594 -0.622) 5.595 2.970 ( -1.319 -3.877 -0.441) 4.119 3.105 ( 0.001 -4.064 -4.196) 5.841 3.156 ( -1.116 -5.372 -2.129) 5.886 3.206 ( -2.164 -5.648 0.846) 6.108 3.405 ( -0.561 2.522 -0.085) 2.585 3.441 ( 1.276 -0.799 -2.034) 2.531 3.726 ( 5.198 -5.487 -2.177) 7.866 3.977 ( -3.847 -4.476 -0.773) 5.952 4.036 ( -5.768 -14.312 0.124) 15.431 4.132 ( -4.477 -3.690 1.727) 6.054======================= Grid point 30 (22/231) =======================q-point: ( 0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( 2.591 7.422 2.603) 8.281 1.215 ( 2.756 0.235 -0.554) 2.821 1.278 ( 3.354 6.358 0.717) 7.224 1.321 ( 3.521 6.349 -0.023) 7.260 1.557 ( 3.418 5.817 0.630) 6.776 1.642 ( 1.675 4.203 -0.702) 4.578 2.017 ( 2.711 5.038 0.002) 5.721 2.232 ( 5.978 10.001 -0.134) 11.653 2.437 ( -0.500 0.290 0.773) 0.965 2.523 ( 3.426 6.389 3.725) 8.151 2.753 ( -2.575 -4.715 -0.740) 5.423 2.922 ( -0.511 -1.370 -0.409) 1.518 3.062 ( -1.407 -4.975 -2.810) 5.884 3.077 ( 0.182 -2.794 -0.972) 2.964 3.098 ( -4.697 -3.238 0.183) 5.708 3.369 ( -3.267 -0.509 -3.455) 4.782 3.462 ( 1.979 -2.275 2.149) 3.703 3.639 ( -9.643 -11.545 -2.586) 15.263 3.807 ( -2.003 -4.101 -1.112) 4.697 3.877 ( -3.101 -8.058 1.832) 8.826 4.018 ( -2.120 -4.577 0.896) 5.123======================= Grid point 31 (23/231) =======================q-point: ( 0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( 0.887 2.776 0.210) 2.921 1.242 ( 0.026 0.750 1.667) 1.828 1.389 ( 1.333 6.024 0.303) 6.177 1.400 ( -2.793 7.818 -0.492) 8.317 1.653 ( 1.519 -0.301 -0.698) 1.698 1.701 ( 5.035 2.013 0.909) 5.498 2.095 ( 1.251 2.989 -0.111) 3.242 2.382 ( -2.705 3.369 -0.308) 4.331 2.467 ( 5.778 2.649 -0.023) 6.356 2.636 ( 3.845 2.805 1.753) 5.072 2.691 ( 1.328 -3.892 -0.396) 4.131 2.887 ( -4.509 -0.594 -0.831) 4.623 2.986 ( -4.751 0.049 0.760) 4.812 3.002 ( 1.148 -3.494 -2.087) 4.229 3.083 ( 1.959 -0.955 -0.668) 2.280 3.288 ( -2.930 -2.276 -3.337) 4.990 3.310 ( -12.563 -6.870 -1.247) 14.373 3.454 ( -0.815 -3.125 3.590) 4.829 3.675 ( -9.817 -0.797 -1.312) 9.936 3.761 ( -1.622 -6.048 1.074) 6.353 3.996 ( 6.558 -9.694 0.494) 11.715======================= Grid point 32 (24/231) =======================q-point: ( 0.46 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( -2.435 1.711 1.363) 3.273 1.258 ( 0.534 1.405 -1.628) 2.216 1.389 ( -6.091 7.107 -0.488) 9.373 1.442 ( -1.319 4.007 1.060) 4.350 1.673 ( 0.097 2.645 0.268) 2.660 1.798 ( 2.928 0.142 -0.054) 2.932 2.134 ( 1.522 0.652 -0.178) 1.665 2.301 ( -6.590 1.933 -0.244) 6.872 2.556 ( 0.835 0.615 -0.831) 1.329 2.697 ( -1.297 0.599 -0.553) 1.532 2.745 ( 2.521 1.475 0.387) 2.946 2.780 ( -1.836 0.057 -1.123) 2.153 2.912 ( -2.620 -2.713 2.051) 4.293 2.972 ( -0.366 -1.819 0.329) 1.884 3.100 ( 0.040 0.566 -1.538) 1.639 3.156 ( -0.824 -1.597 -0.972) 2.043 3.237 ( 0.756 -0.756 -1.650) 1.966 3.380 ( -4.410 -2.601 2.687) 5.782 3.486 ( -8.968 -1.475 -0.168) 9.090 3.699 ( 1.318 -5.607 0.207) 5.764 4.017 ( 7.099 -10.678 -0.045) 12.823======================= Grid point 33 (25/231) =======================q-point: ( 0.54 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( -3.984 4.363 1.318) 6.054 1.278 ( 1.795 -0.680 -2.714) 3.324 1.361 ( -5.103 7.855 0.410) 9.377 1.440 ( -2.411 2.234 1.511) 3.617 1.701 ( -1.656 4.190 -0.232) 4.511 1.809 ( -1.999 3.007 -0.096) 3.612 2.167 ( 2.414 -1.469 -0.446) 2.861 2.231 ( -4.390 3.932 0.198) 5.896 2.549 ( -1.032 0.735 -0.879) 1.542 2.619 ( -7.756 6.459 0.124) 10.094 2.709 ( -2.617 2.704 -0.325) 3.777 2.871 ( 4.206 -2.012 0.006) 4.662 2.897 ( 2.214 -1.952 2.036) 3.586 2.973 ( 1.647 -1.842 0.460) 2.514 3.103 ( -0.096 0.688 -2.657) 2.747 3.139 ( 1.915 -2.468 0.680) 3.196 3.251 ( -2.078 0.165 -1.308) 2.461 3.295 ( 0.191 -1.686 0.356) 1.734 3.354 ( -3.878 -1.725 1.860) 4.635 3.683 ( 2.705 -5.166 -0.140) 5.833 4.025 ( 6.510 -10.977 -0.485) 12.772======================= Grid point 34 (26/231) =======================q-point: (-0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.116 ( -2.565 5.597 -0.144) 6.158 1.295 ( 1.428 -2.229 -0.064) 2.648 1.367 ( -4.249 9.084 1.445) 10.132 1.428 ( -1.587 2.906 -0.330) 3.328 1.690 ( -3.406 3.888 -1.812) 5.477 1.825 ( -0.628 2.542 2.285) 3.475 2.170 ( 0.401 -3.168 0.025) 3.193 2.230 ( -1.406 6.395 0.037) 6.548 2.549 ( 0.043 1.444 -1.000) 1.757 2.626 ( -1.304 10.237 1.254) 10.396 2.712 ( -0.746 4.020 0.284) 4.099 2.873 ( 0.254 -5.443 0.206) 5.453 2.874 ( -1.463 -2.856 -1.826) 3.692 2.975 ( 0.923 -2.697 0.785) 2.957 3.108 ( 0.335 -0.000 -1.393) 1.433 3.153 ( 1.446 -1.554 2.629) 3.379 3.260 ( 2.189 1.729 -0.180) 2.795 3.295 ( -0.404 -1.940 0.475) 2.038 3.337 ( 3.302 3.131 -0.620) 4.593 3.681 ( 3.030 -4.982 -0.385) 5.844 4.024 ( 6.224 -11.144 -0.753) 12.787======================= Grid point 35 (27/231) =======================q-point: (-0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( -0.298 4.689 0.338) 4.710 1.265 ( -1.923 -2.166 -0.148) 2.900 1.402 ( -3.980 9.725 1.655) 10.638 1.431 ( -1.913 2.891 -0.897) 3.581 1.671 ( -1.668 2.047 -0.181) 2.646 1.797 ( -2.322 -4.021 -0.222) 4.648 2.137 ( -1.332 -1.003 0.261) 1.688 2.306 ( 1.695 6.632 0.556) 6.868 2.566 ( -0.324 0.210 0.932) 1.009 2.700 ( 0.001 0.222 -0.127) 0.256 2.739 ( -3.667 -4.027 -0.481) 5.468 2.792 ( 1.582 3.814 0.840) 4.214 2.894 ( 4.010 2.415 -0.771) 4.744 2.973 ( 2.221 -0.320 0.473) 2.293 3.106 ( -0.010 -0.260 -0.506) 0.569 3.172 ( 0.744 -0.771 1.595) 1.922 3.267 ( 1.093 0.542 3.646) 3.845 3.335 ( 3.811 1.295 -4.936) 6.369 3.494 ( 6.202 7.657 0.938) 9.899 3.693 ( 3.911 -4.008 -0.791) 5.656 4.013 ( 5.672 -11.479 -0.754) 12.827======================= Grid point 36 (28/231) =======================q-point: (-0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( -3.431 -0.096 3.087) 4.617 1.209 ( -0.885 1.041 -3.658) 3.905 1.384 ( -5.706 2.899 -0.411) 6.413 1.410 ( -5.685 5.234 0.876) 7.777 1.663 ( -2.119 -2.071 0.963) 3.116 1.691 ( -2.038 -3.027 -0.945) 3.770 2.097 ( -3.255 0.327 0.174) 3.276 2.384 ( -1.306 3.788 0.060) 4.007 2.475 ( -6.306 -4.315 1.119) 7.722 2.624 ( -4.608 -2.240 -0.237) 5.129 2.691 ( 3.021 -2.923 -0.419) 4.224 2.890 ( 2.221 3.794 -0.312) 4.408 2.976 ( 3.286 3.811 -0.959) 5.122 3.028 ( 2.075 -2.288 2.199) 3.792 3.083 ( 0.107 -2.149 -0.692) 2.260 3.324 ( 13.144 6.330 1.134) 14.633 3.340 ( 3.387 2.621 5.135) 6.686 3.401 ( 3.623 -0.467 -5.044) 6.228 3.686 ( 5.872 7.502 0.167) 9.528 3.746 ( 5.143 -0.991 -1.052) 5.342 3.990 ( 5.073 -10.494 -0.420) 11.663======================= Grid point 37 (29/231) =======================q-point: (-0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( -8.522 0.000 0.000) 8.522 1.215 ( 0.134 -0.000 -0.000) 0.134 1.272 ( -8.353 0.000 0.000) 8.353 1.321 ( -6.931 0.000 0.000) 6.931 1.552 ( -6.439 0.000 0.000) 6.439 1.646 ( -5.025 0.000 0.000) 5.025 2.017 ( -5.752 0.000 0.000) 5.752 2.233 ( -11.734 0.000 0.000) 11.734 2.431 ( -0.270 0.000 0.000) 0.270 2.501 ( -7.831 0.000 0.000) 7.831 2.757 ( 5.453 -0.000 -0.000) 5.453 2.924 ( 1.294 -0.000 -0.000) 1.294 3.078 ( 4.884 -0.000 -0.000) 4.884 3.091 ( 2.695 -0.000 -0.000) 2.695 3.093 ( 5.597 -0.000 -0.000) 5.597 3.408 ( 0.594 -0.000 -0.000) 0.594 3.431 ( 2.783 -0.000 -0.000) 2.783 3.658 ( 15.633 -0.000 -0.000) 15.633 3.817 ( 5.002 -0.000 -0.000) 5.002 3.858 ( 7.902 -0.000 -0.000) 7.902 4.012 ( 4.574 -0.000 -0.000) 4.574======================= Grid point 42 (30/231) =======================q-point: ( 0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( 0.000 10.249 4.800) 11.317 1.122 ( -0.000 2.607 -1.957) 3.260 1.164 ( 0.000 9.191 2.088) 9.425 1.171 ( -0.000 -0.821 -2.991) 3.101 1.546 ( 0.000 10.202 -1.475) 10.308 1.616 ( 0.000 10.506 2.771) 10.866 1.949 ( 0.000 4.405 0.037) 4.406 2.123 ( 0.000 11.437 -0.174) 11.439 2.464 ( 0.000 0.913 0.637) 1.114 2.482 ( 0.000 11.959 5.492) 13.160 2.858 ( -0.000 -2.585 -0.094) 2.586 2.928 ( -0.000 -5.673 -1.194) 5.797 3.047 ( -0.000 -6.605 -3.280) 7.375 3.104 ( -0.000 -3.975 -2.153) 4.520 3.165 ( -0.000 -4.865 0.204) 4.870 3.412 ( -0.000 -1.264 -1.396) 1.884 3.433 ( 0.000 0.629 -0.048) 0.630 3.584 ( -0.000 -10.762 -0.660) 10.783 3.902 ( -0.000 -16.192 -1.265) 16.241 3.950 ( -0.000 -7.254 0.441) 7.267 4.193 ( 0.000 1.776 0.248) 1.793======================= Grid point 43 (31/231) =======================q-point: ( 0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( 1.572 4.571 1.966) 5.218 1.164 ( 1.710 1.336 0.345) 2.197 1.228 ( 6.257 2.119 -0.432) 6.620 1.284 ( 4.241 5.061 0.945) 6.670 1.629 ( -0.796 7.744 -0.579) 7.807 1.687 ( -1.241 4.253 0.955) 4.532 2.017 ( 2.407 4.324 0.014) 4.948 2.270 ( 2.111 11.334 -0.080) 11.529 2.464 ( -0.982 1.325 0.494) 1.721 2.591 ( -1.028 8.316 3.691) 9.156 2.779 ( -4.366 -3.170 -0.664) 5.436 2.883 ( 1.139 -4.378 -1.166) 4.671 2.987 ( 1.564 -5.644 -1.185) 5.975 3.075 ( -0.498 -0.921 -0.994) 1.444 3.112 ( -1.524 -2.982 -0.875) 3.461 3.390 ( -0.224 -2.801 -3.958) 4.854 3.427 ( -0.600 -1.344 1.975) 2.463 3.488 ( 4.972 -17.948 0.735) 18.638 3.736 ( -1.356 -10.114 -1.104) 10.265 3.854 ( -2.807 -6.155 -0.018) 6.765 4.146 ( -7.113 1.656 0.159) 7.305======================= Grid point 44 (32/231) =======================q-point: ( 0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( 1.075 1.937 1.269) 2.553 1.212 ( 2.186 0.832 0.847) 2.488 1.379 ( 5.594 3.370 -0.133) 6.532 1.422 ( 6.950 2.757 0.502) 7.494 1.670 ( -3.328 3.802 -1.062) 5.163 1.685 ( 0.611 2.151 1.094) 2.489 2.098 ( 1.648 2.674 -0.081) 3.142 2.383 ( 4.200 -0.077 -0.239) 4.208 2.490 ( -1.532 7.852 0.591) 8.022 2.643 ( 0.150 3.595 1.880) 4.060 2.680 ( -3.858 -1.388 -0.573) 4.140 2.872 ( 2.522 -3.893 -1.505) 4.877 2.961 ( 0.374 -3.112 -0.684) 3.208 3.046 ( -2.474 -1.882 -1.033) 3.275 3.068 ( -0.792 1.854 0.188) 2.025 3.294 ( -2.966 -6.971 -3.112) 8.190 3.352 ( -2.465 -10.507 -1.561) 10.904 3.425 ( 1.229 -3.222 3.589) 4.977 3.678 ( 4.042 -9.050 -0.163) 9.913 3.739 ( -2.865 -3.835 -0.234) 4.793 3.987 ( -11.213 0.099 0.251) 11.216======================= Grid point 45 (33/231) =======================q-point: ( 0.46 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.192 ( -0.805 1.778 0.157) 1.958 1.256 ( 1.733 -0.233 0.619) 1.855 1.464 ( 1.244 0.967 0.277) 1.600 1.528 ( -0.784 3.243 -0.576) 3.385 1.675 ( 2.265 3.189 -1.180) 4.085 1.753 ( 3.211 3.554 2.134) 5.244 2.118 ( -0.181 -0.197 -0.383) 0.467 2.462 ( 0.773 2.549 0.826) 2.789 2.529 ( 0.900 4.280 -0.627) 4.418 2.611 ( -0.533 -2.431 -0.772) 2.606 2.695 ( 2.067 1.429 0.718) 2.614 2.854 ( -1.373 -2.211 -1.148) 2.844 2.947 ( 0.477 -0.687 0.237) 0.869 2.978 ( -3.474 -1.652 0.218) 3.853 3.089 ( 1.549 1.159 -0.052) 1.935 3.181 ( -3.211 -3.857 -0.186) 5.023 3.209 ( -2.618 -3.736 -4.334) 6.292 3.413 ( -0.409 -2.708 3.842) 4.718 3.591 ( -3.002 -5.699 -0.250) 6.446 3.714 ( -3.099 -1.394 -0.913) 3.518 3.787 ( -2.116 -8.730 0.669) 9.007======================= Grid point 46 (34/231) =======================q-point: ( 0.54 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( -0.377 2.415 0.447) 2.484 1.263 ( -0.530 -0.446 -0.477) 0.841 1.465 ( -1.208 1.312 0.211) 1.796 1.507 ( -2.841 1.165 0.019) 3.071 1.760 ( 1.058 5.120 -0.712) 5.276 1.849 ( 1.867 4.145 0.732) 4.605 2.111 ( 0.968 -1.838 -0.372) 2.110 2.426 ( -8.457 9.335 0.359) 12.601 2.577 ( -0.886 1.601 -0.572) 1.917 2.692 ( 9.339 -0.470 0.197) 9.353 2.740 ( 3.844 -2.282 -0.359) 4.485 2.799 ( -3.342 1.715 -0.471) 3.786 2.893 ( -5.044 1.205 1.901) 5.523 2.943 ( -0.101 -1.990 0.856) 2.169 3.094 ( -0.460 -3.027 -2.165) 3.750 3.127 ( -0.500 1.893 -0.508) 2.023 3.192 ( 3.310 -2.427 -1.436) 4.349 3.360 ( -4.165 -0.452 2.065) 4.671 3.451 ( -8.228 -2.610 0.036) 8.632 3.591 ( -0.628 -4.541 0.181) 4.587 3.771 ( 7.365 -12.246 -0.490) 14.299======================= Grid point 47 (35/231) =======================q-point: (-0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( -2.460 3.565 -0.087) 4.332 1.247 ( 1.057 -1.290 -0.541) 1.753 1.470 ( -1.719 0.594 0.401) 1.863 1.477 ( -0.307 3.321 0.627) 3.394 1.794 ( -2.842 4.887 -1.207) 5.781 1.893 ( -1.357 2.541 1.130) 3.095 2.112 ( 1.579 -2.483 -0.206) 2.949 2.397 ( -6.469 11.278 0.489) 13.010 2.576 ( -1.338 2.129 -0.969) 2.695 2.744 ( 0.629 0.304 0.181) 0.721 2.774 ( -1.847 3.398 -0.456) 3.894 2.834 ( -1.345 3.728 1.049) 4.100 2.862 ( -1.045 -4.728 0.217) 4.847 2.898 ( 3.426 -4.313 0.597) 5.540 3.084 ( 1.122 -0.629 -1.209) 1.766 3.137 ( 0.314 1.497 0.635) 1.656 3.217 ( 2.287 -3.407 -1.208) 4.278 3.294 ( -1.914 2.629 0.341) 3.270 3.349 ( -0.812 0.370 1.225) 1.515 3.572 ( 2.827 -5.034 -0.132) 5.775 3.770 ( 7.273 -12.659 -0.839) 14.623======================= Grid point 48 (36/231) =======================q-point: (-0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( -1.470 2.876 1.081) 3.406 1.252 ( 0.450 -1.488 -1.411) 2.100 1.462 ( -0.317 1.200 0.034) 1.241 1.518 ( 0.217 3.674 1.010) 3.816 1.760 ( -4.812 2.453 -0.745) 5.452 1.846 ( -5.298 -0.449 0.413) 5.333 2.115 ( 1.241 -1.588 0.024) 2.016 2.428 ( -3.855 11.733 0.569) 12.363 2.580 ( -0.014 1.688 -0.291) 1.713 2.681 ( -4.102 -9.248 -0.906) 10.157 2.745 ( -0.649 -4.076 0.104) 4.128 2.804 ( 1.073 3.274 -0.023) 3.445 2.884 ( 1.234 5.696 1.019) 5.916 2.935 ( 1.771 -1.375 0.174) 2.249 3.107 ( 1.501 0.618 -0.694) 1.765 3.142 ( -0.505 -1.469 1.213) 1.971 3.220 ( 2.866 -1.979 0.308) 3.496 3.316 ( 0.301 2.166 -1.473) 2.637 3.462 ( 6.392 6.444 0.950) 9.126 3.589 ( 4.279 -1.368 0.041) 4.493 3.767 ( 6.822 -12.439 -0.953) 14.219======================= Grid point 49 (37/231) =======================q-point: (-0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( -0.573 0.000 0.000) 0.573 1.225 ( -1.768 0.000 0.000) 1.768 1.462 ( -1.437 0.000 0.000) 1.437 1.534 ( -2.507 0.000 0.000) 2.507 1.694 ( -2.644 0.000 0.000) 2.644 1.725 ( -5.998 0.000 0.000) 5.998 2.122 ( 0.121 -0.000 -0.000) 0.121 2.454 ( -2.752 0.000 0.000) 2.752 2.536 ( -3.431 0.000 0.000) 3.431 2.620 ( 2.332 -0.000 -0.000) 2.332 2.686 ( -3.311 0.000 0.000) 3.311 2.866 ( 2.974 -0.000 -0.000) 2.974 2.945 ( 1.241 -0.000 -0.000) 1.241 2.974 ( 4.048 -0.000 -0.000) 4.048 3.087 ( -1.995 0.000 0.000) 1.995 3.182 ( 5.363 -0.000 -0.000) 5.363 3.283 ( 4.511 -0.000 -0.000) 4.511 3.346 ( 1.930 -0.000 -0.000) 1.930 3.591 ( 5.983 -0.000 -0.000) 5.983 3.728 ( 2.697 -0.000 -0.000) 2.697 3.779 ( 8.767 -0.000 -0.000) 8.767======================= Grid point 56 (38/231) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( -0.000 -1.509 -0.607) 1.627 1.149 ( 0.000 0.410 0.313) 0.516 1.231 ( 0.000 4.819 3.169) 5.767 1.284 ( 0.000 2.553 -0.507) 2.603 1.682 ( 0.000 1.491 0.688) 1.643 1.761 ( 0.000 6.004 -0.484) 6.023 2.035 ( 0.000 3.814 0.092) 3.815 2.351 ( 0.000 4.609 -0.991) 4.714 2.506 ( 0.000 6.234 1.131) 6.336 2.695 ( 0.000 6.185 2.147) 6.547 2.788 ( -0.000 -6.841 -0.864) 6.896 2.800 ( -0.000 -5.456 -1.394) 5.631 2.936 ( 0.000 -0.227 1.018) 1.043 3.071 ( -0.000 1.181 -1.406) 1.836 3.111 ( -0.000 0.065 -0.648) 0.652 3.222 ( -0.000 -19.361 0.233) 19.363 3.354 ( -0.000 -4.156 -3.547) 5.464 3.417 ( 0.000 -3.534 2.578) 4.374 3.645 ( -0.000 -9.221 -0.505) 9.235 3.831 ( -0.000 -3.583 -0.512) 3.620 4.228 ( 0.000 1.214 -0.076) 1.217======================= Grid point 57 (39/231) =======================q-point: ( 0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.106 ( 3.485 -1.630 1.366) 4.082 1.218 ( 4.685 0.959 0.353) 4.795 1.283 ( 2.767 2.269 1.404) 3.844 1.336 ( 4.125 0.581 -1.297) 4.363 1.680 ( 0.075 -1.860 1.491) 2.385 1.788 ( -2.870 5.101 -1.829) 6.132 2.092 ( 1.984 3.004 0.110) 3.602 2.335 ( -0.878 -3.719 -0.709) 3.886 2.579 ( -0.624 4.891 0.806) 4.996 2.694 ( -0.332 -2.694 0.576) 2.775 2.726 ( -2.003 2.596 -0.604) 3.335 2.776 ( 2.015 -4.121 -1.373) 4.788 2.944 ( -0.507 1.125 2.186) 2.511 3.036 ( 0.142 -7.030 -1.232) 7.138 3.092 ( -0.484 -2.811 -1.824) 3.385 3.170 ( 3.636 -1.156 1.130) 3.979 3.303 ( -0.539 -3.826 -3.877) 5.473 3.377 ( 0.292 -4.488 3.646) 5.790 3.554 ( 0.017 -7.707 -0.488) 7.723 3.774 ( -3.133 -1.953 -0.118) 3.694 4.171 ( -7.253 0.694 -0.181) 7.288======================= Grid point 58 (40/231) =======================q-point: ( 0.46 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.170 ( 4.454 -1.272 1.769) 4.958 1.241 ( -1.006 0.662 -1.899) 2.249 1.414 ( 4.810 0.386 -0.561) 4.858 1.448 ( 9.061 0.044 1.726) 9.224 1.669 ( 1.031 -0.965 0.317) 1.447 1.790 ( -1.139 5.018 -0.438) 5.164 2.137 ( -0.652 1.455 -0.290) 1.621 2.311 ( 5.217 -4.664 -0.248) 7.003 2.574 ( 0.099 -2.303 -0.405) 2.340 2.684 ( -0.816 0.460 -0.642) 1.136 2.741 ( -2.263 6.841 0.651) 7.235 2.776 ( 2.671 -3.481 -1.484) 4.631 2.940 ( 0.694 -3.647 3.430) 5.055 2.986 ( -1.109 -0.897 0.068) 1.428 3.065 ( 0.743 -1.128 -2.570) 2.903 3.194 ( -1.323 1.416 -0.682) 2.055 3.229 ( -3.000 -3.343 -2.342) 5.066 3.359 ( 1.434 -4.041 2.979) 5.222 3.501 ( 3.136 -7.756 -0.156) 8.368 3.685 ( -4.607 -1.474 0.170) 4.840 3.994 ( -12.677 0.242 -0.203) 12.681======================= Grid point 59 (41/231) =======================q-point: ( 0.54 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.225 ( -0.082 1.297 -0.323) 1.339 1.233 ( 2.639 -1.811 0.412) 3.227 1.467 ( 1.362 0.181 0.183) 1.386 1.530 ( 0.647 -1.731 -0.178) 1.857 1.740 ( 5.434 2.507 -0.490) 6.005 1.861 ( 1.805 5.092 0.590) 5.434 2.108 ( -1.967 -0.321 -0.436) 2.040 2.441 ( 12.761 -2.364 0.200) 12.979 2.566 ( 2.020 -1.803 -0.459) 2.747 2.673 ( -4.880 7.128 0.401) 8.647 2.739 ( -3.463 3.425 -0.385) 4.886 2.802 ( 2.531 -1.780 -0.163) 3.099 2.931 ( 2.080 -2.442 1.971) 3.765 2.953 ( -2.410 -0.582 0.802) 2.606 3.070 ( 0.298 -2.664 -2.217) 3.479 3.141 ( -1.880 0.261 -2.338) 3.011 3.173 ( -1.994 0.881 -0.067) 2.181 3.355 ( 2.131 -3.544 2.085) 4.631 3.470 ( 0.778 -6.855 -0.208) 6.902 3.595 ( -2.091 -3.865 0.183) 4.398 3.745 ( -14.156 0.005 -0.194) 14.157======================= Grid point 60 (42/231) =======================q-point: ( 0.62 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 0.227 -0.156 0.467) 0.542 1.257 ( 0.404 0.672 -0.344) 0.856 1.483 ( 0.110 0.419 0.570) 0.716 1.502 ( -0.849 -0.529 -0.714) 1.229 1.853 ( 2.888 3.268 -0.204) 4.366 1.908 ( -0.301 0.791 -0.006) 0.846 2.081 ( -0.218 -0.699 -0.143) 0.746 2.607 ( 1.925 2.400 -0.162) 3.081 2.656 ( -4.789 9.204 0.481) 10.386 2.669 ( 7.234 -1.157 0.790) 7.368 2.706 ( 1.971 0.175 -0.516) 2.045 2.816 ( 0.146 -0.334 0.405) 0.544 2.859 ( -4.068 -6.309 -0.212) 7.510 2.971 ( -2.127 3.954 2.045) 4.934 3.046 ( 3.969 -0.183 -2.757) 4.836 3.148 ( 0.646 -1.295 -0.117) 1.451 3.154 ( -1.004 0.189 -0.382) 1.090 3.357 ( 0.006 -1.207 1.404) 1.851 3.380 ( -4.150 -2.913 -0.572) 5.102 3.516 ( -1.928 -2.720 0.433) 3.362 3.576 ( -0.680 -4.480 -0.645) 4.577======================= Grid point 61 (43/231) =======================q-point: (-0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( 0.016 -0.000 -0.000) 0.016 1.258 ( -1.065 0.000 0.000) 1.065 1.475 ( -0.624 0.000 0.000) 0.624 1.513 ( 1.422 -0.000 -0.000) 1.422 1.856 ( -4.003 0.000 0.000) 4.003 1.908 ( -0.694 0.000 0.000) 0.694 2.084 ( 0.990 -0.000 -0.000) 0.990 2.610 ( -2.674 0.000 0.000) 2.674 2.654 ( -4.904 0.000 0.000) 4.904 2.656 ( -6.118 0.000 0.000) 6.118 2.706 ( 1.790 -0.000 -0.000) 1.790 2.816 ( -0.486 0.000 0.000) 0.486 2.857 ( 6.628 -0.000 -0.000) 6.628 2.945 ( -3.087 0.000 0.000) 3.087 3.084 ( -0.979 0.000 0.000) 0.979 3.152 ( 1.866 -0.000 -0.000) 1.866 3.162 ( 1.455 -0.000 -0.000) 1.455 3.331 ( -0.584 0.000 0.000) 0.584 3.388 ( 5.175 -0.000 -0.000) 5.175 3.511 ( 2.642 -0.000 -0.000) 2.642 3.585 ( 4.640 -0.000 -0.000) 4.640======================= Grid point 70 (44/231) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.062 ( 0.000 -1.220 3.536) 3.740 1.148 ( 0.000 -0.847 2.562) 2.699 1.290 ( -0.000 -0.630 -3.128) 3.191 1.297 ( -0.000 1.184 -2.174) 2.475 1.651 ( 0.000 -3.686 2.009) 4.198 1.846 ( -0.000 1.833 -3.596) 4.036 2.104 ( 0.000 2.682 0.413) 2.714 2.307 ( -0.000 -4.220 -0.203) 4.225 2.592 ( -0.000 -4.015 -0.119) 4.017 2.610 ( -0.000 -8.176 0.927) 8.228 2.749 ( 0.000 -1.736 0.827) 1.922 2.756 ( -0.000 0.311 -1.533) 1.565 2.907 ( -0.000 -3.703 0.792) 3.786 2.993 ( 0.000 3.646 -0.446) 3.673 3.136 ( -0.000 3.380 -1.971) 3.913 3.164 ( 0.000 3.779 2.047) 4.297 3.267 ( -0.000 -1.993 -3.705) 4.207 3.330 ( 0.000 -5.361 3.506) 6.405 3.486 ( -0.000 -6.260 0.002) 6.260 3.789 ( -0.000 -0.924 -0.102) 0.930 4.240 ( -0.000 0.160 -0.298) 0.339======================= Grid point 71 (45/231) =======================q-point: ( 0.46 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 3.006 -0.750 3.788) 4.894 1.216 ( 4.951 -0.916 -1.403) 5.227 1.300 ( 3.933 -0.516 0.581) 4.009 1.331 ( 4.542 0.023 -2.722) 5.295 1.625 ( 1.150 -3.247 1.467) 3.744 1.835 ( -0.517 0.447 -3.019) 3.096 2.142 ( 1.501 1.706 -0.033) 2.273 2.248 ( -1.823 -3.000 0.369) 3.530 2.533 ( 0.416 -4.947 0.499) 4.990 2.593 ( 4.761 -5.705 -0.272) 7.435 2.687 ( 0.152 -2.878 -1.111) 3.089 2.819 ( 4.270 -1.099 1.158) 4.559 2.903 ( -2.123 3.460 0.976) 4.175 3.024 ( -0.361 2.513 -0.029) 2.539 3.098 ( -4.311 1.906 -1.763) 5.032 3.231 ( -0.041 -0.663 -0.439) 0.797 3.242 ( -1.487 2.347 -1.675) 3.244 3.301 ( 2.100 -2.769 2.552) 4.312 3.417 ( -0.887 -5.616 0.506) 5.708 3.753 ( -3.219 -0.439 0.045) 3.250 4.175 ( -7.126 -0.046 -0.274) 7.131======================= Grid point 72 (46/231) =======================q-point: ( 0.54 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( 3.981 -0.878 1.625) 4.389 1.225 ( 0.450 -0.695 -2.301) 2.446 1.422 ( 4.799 1.076 -1.451) 5.128 1.442 ( 7.081 -1.298 2.350) 7.573 1.651 ( 4.546 -0.582 0.102) 4.584 1.864 ( 2.827 2.039 -0.574) 3.532 2.160 ( -3.021 0.811 -0.404) 3.154 2.234 ( 6.291 -2.188 0.122) 6.662 2.510 ( 1.288 -2.173 -0.145) 2.530 2.659 ( 6.802 -1.566 -0.425) 6.993 2.705 ( 4.226 -1.721 -0.633) 4.607 2.870 ( 0.083 1.433 0.858) 1.672 2.892 ( -2.034 1.433 2.013) 3.201 3.017 ( -4.089 1.049 1.132) 4.370 3.040 ( -0.852 -0.645 -2.737) 2.938 3.191 ( -2.396 0.817 -1.954) 3.198 3.218 ( -2.349 -0.320 0.779) 2.495 3.314 ( -0.670 -0.955 0.112) 1.172 3.370 ( 2.198 -4.190 1.040) 4.844 3.671 ( -5.388 -0.198 0.093) 5.393 3.994 ( -12.671 -0.044 -0.150) 12.672======================= Grid point 73 (47/231) =======================q-point: (-0.38 -0.62 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 2.480 -0.000 -0.000) 2.480 1.240 ( 1.391 -0.000 -0.000) 1.391 1.484 ( 1.038 -0.000 -0.000) 1.038 1.493 ( 1.093 -0.000 -0.000) 1.093 1.764 ( 7.056 -0.000 -0.000) 7.056 1.921 ( 0.928 -0.000 -0.000) 0.928 2.104 ( -2.604 0.000 0.000) 2.604 2.414 ( 13.987 -0.000 -0.000) 13.987 2.543 ( 3.630 -0.000 -0.000) 3.630 2.749 ( 0.199 -0.000 -0.000) 0.199 2.770 ( 3.158 -0.000 -0.000) 3.158 2.856 ( -2.167 0.000 0.000) 2.167 2.865 ( -2.539 0.000 0.000) 2.539 2.941 ( -0.709 0.000 0.000) 0.709 3.028 ( -0.724 0.000 0.000) 0.724 3.168 ( -1.242 0.000 0.000) 1.242 3.169 ( -1.809 0.000 0.000) 1.809 3.314 ( 2.062 -0.000 -0.000) 2.062 3.376 ( 0.491 -0.000 -0.000) 0.491 3.569 ( -5.375 0.000 0.000) 5.375 3.744 ( -14.322 0.000 0.000) 14.322======================= Grid point 85 (48/231) =======================q-point: ( 0.46 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( 0.000 0.515 4.102) 4.134 1.140 ( 0.000 -0.616 1.839) 1.940 1.263 ( -0.000 -0.510 -2.155) 2.215 1.270 ( -0.000 -1.727 -4.062) 4.414 1.584 ( 0.000 -2.459 1.106) 2.696 1.823 ( -0.000 -1.209 -2.556) 2.828 2.143 ( 0.000 0.967 0.199) 0.987 2.252 ( 0.000 -1.085 0.599) 1.239 2.479 ( -0.000 -3.685 0.057) 3.685 2.491 ( -0.000 -3.209 0.676) 3.279 2.685 ( 0.000 -1.886 0.861) 2.073 2.742 ( -0.000 -0.464 -1.153) 1.243 2.959 ( 0.000 2.255 0.148) 2.260 3.051 ( 0.000 1.659 -0.134) 1.665 3.174 ( -0.000 2.067 -3.042) 3.677 3.234 ( 0.000 1.779 0.998) 2.040 3.240 ( 0.000 -3.842 3.081) 4.925 3.282 ( -0.000 2.832 -1.515) 3.212 3.383 ( -0.000 -3.866 0.718) 3.932 3.779 ( -0.000 -0.185 0.002) 0.185 4.238 ( -0.000 -0.139 -0.177) 0.225======================= Grid point 86 (49/231) =======================q-point: (-0.46 -0.54 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 1.953 -0.000 -0.000) 1.953 1.189 ( 3.038 -0.000 -0.000) 3.038 1.297 ( 6.155 -0.000 -0.000) 6.155 1.320 ( 6.075 -0.000 -0.000) 6.075 1.588 ( 1.927 -0.000 -0.000) 1.927 1.824 ( 1.482 -0.000 -0.000) 1.482 2.159 ( 1.447 -0.000 -0.000) 1.447 2.223 ( -2.568 0.000 0.000) 2.568 2.475 ( 1.309 -0.000 -0.000) 1.309 2.525 ( 5.349 -0.000 -0.000) 5.349 2.653 ( -0.088 0.000 0.000) 0.088 2.804 ( 4.885 -0.000 -0.000) 4.885 2.955 ( -1.768 0.000 0.000) 1.768 3.050 ( -0.989 0.000 0.000) 0.989 3.119 ( -5.080 0.000 0.000) 5.080 3.212 ( -0.639 0.000 0.000) 0.639 3.273 ( -2.172 0.000 0.000) 2.172 3.300 ( 2.998 -0.000 -0.000) 2.998 3.341 ( -1.847 0.000 0.000) 1.847 3.749 ( -3.190 0.000 0.000) 3.190 4.173 ( -7.055 0.000 0.000) 7.055======================= Grid point 187 (50/231) =======================q-point: ( 0.08 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.065 ( 0.000 0.000 16.994) 16.994 0.092 ( 0.000 0.000 15.960) 15.960 0.092 ( 0.000 0.000 15.960) 15.960 0.953 ( -0.000 -0.000 -2.280) 2.280 0.953 ( -0.000 -0.000 -2.280) 2.280 1.337 ( -0.000 -0.000 -0.526) 0.526 1.695 ( 0.000 0.000 4.778) 4.778 1.695 ( 0.000 0.000 4.778) 4.778 1.996 ( 0.000 0.000 3.056) 3.056 1.996 ( 0.000 0.000 3.056) 3.056 2.587 ( 0.000 0.000 1.545) 1.545 3.064 ( -0.000 -0.000 -1.033) 1.033 3.064 ( -0.000 -0.000 -1.033) 1.033 3.226 ( -0.000 -0.000 -2.604) 2.604 3.226 ( -0.000 -0.000 -2.604) 2.604 3.425 ( -0.000 -0.000 -0.222) 0.222 3.429 ( 0.000 0.000 0.089) 0.089 3.429 ( 0.000 0.000 0.089) 0.089 4.196 ( -0.000 -0.000 -4.725) 4.725 4.376 ( -0.000 -0.000 -0.460) 0.460 4.675 ( 0.000 0.000 1.812) 1.812======================= Grid point 188 (51/231) =======================q-point: ( 0.15 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.357 ( 14.505 8.374 4.523) 17.349 0.467 ( 17.905 10.338 1.824) 20.755 0.647 ( 24.286 14.022 4.315) 28.373 0.991 ( 3.208 1.852 -1.742) 4.093 1.061 ( 8.356 4.824 -3.712) 10.338 1.324 ( 0.088 0.051 -1.279) 1.283 1.761 ( 3.916 2.261 3.965) 6.014 1.888 ( 2.536 1.464 -0.737) 3.019 2.047 ( 4.078 2.355 5.262) 7.062 2.453 ( -0.725 -0.419 2.586) 2.718 3.024 ( -3.001 -1.733 -1.410) 3.741 3.065 ( -0.595 -0.344 -0.945) 1.169 3.214 ( -0.762 -0.440 -2.754) 2.892 3.256 ( 2.914 1.682 -2.463) 4.170 3.333 ( 0.415 0.240 -12.788) 12.797 3.385 ( -3.530 -2.038 -0.362) 4.092 3.409 ( 2.474 1.428 -2.409) 3.737 3.683 ( 14.781 8.534 -22.491) 28.234 3.961 ( -7.825 -4.518 11.067) 14.287 4.318 ( -4.636 -2.677 -1.765) 5.637 4.550 ( -7.770 -4.486 3.973) 9.812======================= Grid point 189 (52/231) =======================q-point: ( 0.23 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.697 ( 12.874 7.433 2.875) 15.141 0.853 ( 13.840 7.991 -0.457) 15.988 1.083 ( 4.189 2.418 -0.199) 4.841 1.154 ( 14.484 8.362 0.795) 16.743 1.254 ( 8.168 4.716 -4.844) 10.603 1.392 ( 7.705 4.448 3.680) 9.627 1.856 ( 3.540 2.044 0.766) 4.159 1.970 ( 4.605 2.659 -0.452) 5.336 2.224 ( 9.371 5.410 7.189) 12.991 2.435 ( -0.611 -0.353 1.614) 1.761 2.933 ( -3.922 -2.264 -1.257) 4.700 3.021 ( -2.807 -1.621 -1.003) 3.393 3.183 ( -1.299 -0.750 -3.258) 3.586 3.240 ( -4.579 -2.644 -1.762) 5.573 3.260 ( -6.785 -3.917 -0.004) 7.834 3.323 ( 1.788 1.033 -2.873) 3.538 3.480 ( 2.916 1.684 -0.135) 3.370 3.789 ( -6.674 -3.853 1.947) 7.948 3.923 ( 5.670 3.274 -7.038) 9.612 4.141 ( -9.649 -5.571 -3.908) 11.807 4.341 ( -9.069 -5.236 5.190) 11.688======================= Grid point 190 (53/231) =======================q-point: ( 0.31 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.962 ( 8.957 5.171 0.252) 10.346 1.110 ( 7.825 4.518 -2.166) 9.291 1.166 ( 2.346 1.354 1.698) 3.197 1.254 ( 0.055 0.032 2.545) 2.546 1.516 ( 10.349 5.975 -2.043) 12.124 1.618 ( 6.776 3.912 1.927) 8.058 1.942 ( 3.757 2.169 -0.279) 4.347 2.133 ( 9.669 5.583 0.168) 11.167 2.444 ( 1.208 0.697 0.264) 1.419 2.476 ( 9.965 5.753 5.121) 12.595 2.857 ( -2.003 -1.156 -0.706) 2.418 2.931 ( -4.597 -2.654 -0.868) 5.379 3.064 ( -8.522 -4.920 -1.521) 9.957 3.133 ( -3.498 -2.019 -0.500) 4.070 3.153 ( -1.344 -0.776 -0.721) 1.711 3.324 ( -1.181 -0.682 -4.052) 4.275 3.517 ( -4.223 -2.438 3.122) 5.790 3.569 ( -8.475 -4.893 -2.945) 10.219 3.838 ( -10.340 -5.970 -1.469) 12.029 3.984 ( -3.979 -2.297 -1.572) 4.856 4.220 ( -0.805 -0.465 2.636) 2.795======================= Grid point 191 (54/231) =======================q-point: ( 0.38 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 5.153 2.975 -1.865) 6.236 1.169 ( -1.416 -0.818 1.480) 2.205 1.221 ( -3.000 -1.732 4.240) 5.475 1.249 ( 3.728 2.152 -2.182) 4.825 1.679 ( -0.443 -0.256 0.577) 0.771 1.730 ( 7.670 4.428 -1.102) 8.925 2.026 ( 3.167 1.829 -0.133) 3.660 2.358 ( 5.104 2.947 -0.431) 5.909 2.493 ( 4.118 2.378 0.719) 4.809 2.679 ( 5.636 3.254 1.580) 6.697 2.766 ( -7.523 -4.343 -1.560) 8.826 2.808 ( -5.164 -2.981 -0.821) 6.019 2.947 ( 1.590 0.918 1.337) 2.271 3.093 ( -0.954 -0.551 -2.206) 2.466 3.130 ( -0.459 -0.265 0.014) 0.530 3.172 ( -13.559 -7.829 1.097) 15.695 3.265 ( -3.475 -2.007 -4.652) 6.144 3.517 ( -3.294 -1.902 2.606) 4.610 3.615 ( -8.118 -4.687 -0.668) 9.397 3.874 ( -3.789 -2.187 -0.130) 4.377 4.244 ( 1.294 0.747 0.699) 1.649======================= Grid point 192 (55/231) =======================q-point: ( 0.46 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( -5.418 -3.128 5.655) 8.433 1.110 ( -3.203 -1.849 1.470) 3.980 1.256 ( 4.179 2.413 -4.949) 6.913 1.307 ( 1.761 1.017 -2.272) 3.049 1.643 ( -1.940 -1.120 1.901) 2.938 1.848 ( 1.135 0.655 -3.096) 3.362 2.088 ( 1.984 1.145 0.288) 2.309 2.320 ( -4.600 -2.656 -0.039) 5.312 2.543 ( -8.320 -4.804 -0.199) 9.609 2.576 ( -1.104 -0.637 -0.191) 1.289 2.714 ( -2.331 -1.346 0.213) 2.700 2.797 ( 3.189 1.841 -0.459) 3.711 2.930 ( -1.436 -0.829 1.241) 2.071 3.037 ( 3.981 2.298 -1.328) 4.785 3.135 ( 0.693 0.400 2.849) 2.959 3.152 ( -0.301 -0.174 -2.116) 2.145 3.181 ( -0.489 -0.282 -1.825) 1.911 3.393 ( -5.862 -3.385 1.275) 6.888 3.473 ( -4.257 -2.458 0.626) 4.956 3.816 ( -1.291 -0.746 -0.236) 1.510 4.266 ( 0.495 0.286 -0.019) 0.572======================= Grid point 193 (56/231) =======================q-point: ( 0.54 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( -3.563 -2.057 3.766) 5.577 1.049 ( -1.636 -0.945 1.537) 2.435 1.332 ( 2.703 1.561 -3.740) 4.872 1.333 ( 0.769 0.444 -1.667) 1.889 1.622 ( -0.222 -0.128 2.077) 2.093 1.772 ( -3.874 -2.237 -3.025) 5.400 2.121 ( 0.665 0.384 0.531) 0.934 2.261 ( -0.584 -0.337 0.628) 0.921 2.399 ( -3.298 -1.904 1.015) 3.941 2.511 ( -2.123 -1.226 -0.419) 2.487 2.684 ( -0.660 -0.381 0.673) 1.017 2.844 ( 0.991 0.572 -1.506) 1.891 2.968 ( 1.415 0.817 0.400) 1.682 3.095 ( -0.849 -0.490 -1.117) 1.486 3.099 ( 1.678 0.969 -3.627) 4.112 3.160 ( 0.255 0.147 4.620) 4.630 3.214 ( 0.348 0.201 0.721) 0.825 3.311 ( -0.757 -0.437 -0.244) 0.908 3.394 ( -2.336 -1.349 0.524) 2.748 3.799 ( -0.277 -0.160 -0.334) 0.463 4.271 ( 0.041 0.024 -0.515) 0.517======================= Grid point 194 (57/231) =======================q-point: (-0.38 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.969 ( 1.544 0.892 -0.017) 1.783 1.049 ( 1.355 0.782 1.520) 2.182 1.339 ( -0.101 -0.058 -0.702) 0.712 1.358 ( -0.653 -0.377 0.458) 0.883 1.600 ( -0.429 -0.248 -1.594) 1.670 1.807 ( 5.419 3.128 2.899) 6.896 2.121 ( -0.745 -0.430 0.533) 1.012 2.254 ( 0.170 0.098 -0.618) 0.649 2.404 ( 3.499 2.020 1.898) 4.464 2.508 ( 2.091 1.207 -0.898) 2.576 2.676 ( 0.353 0.204 -0.601) 0.726 2.842 ( -0.831 -0.480 -1.761) 2.005 2.964 ( -1.873 -1.081 -0.214) 2.173 3.108 ( -0.372 -0.215 -4.304) 4.325 3.120 ( 2.434 1.405 2.968) 4.087 3.146 ( -2.129 -1.229 4.364) 5.009 3.215 ( -0.163 -0.094 0.690) 0.715 3.309 ( 0.113 0.065 -0.569) 0.584 3.385 ( 2.009 1.160 -0.957) 2.510 3.798 ( 0.242 0.140 -0.521) 0.591 4.269 ( -0.070 -0.040 -0.781) 0.785======================= Grid point 195 (58/231) =======================q-point: (-0.31 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( 4.700 2.714 -2.896) 6.152 1.105 ( 2.663 1.537 0.582) 3.129 1.300 ( -4.222 -2.438 2.528) 5.492 1.324 ( -1.205 -0.696 0.542) 1.493 1.630 ( 2.496 1.441 -0.307) 2.898 1.873 ( -2.187 -1.263 1.279) 2.831 2.089 ( -1.965 -1.135 0.431) 2.310 2.319 ( 4.978 2.874 -0.292) 5.756 2.557 ( 8.424 4.864 2.137) 9.959 2.581 ( 1.645 0.950 0.633) 2.002 2.720 ( 3.023 1.745 1.122) 3.666 2.795 ( -3.019 -1.743 -0.761) 3.568 2.914 ( 1.660 0.958 -1.312) 2.322 3.037 ( -4.829 -2.788 -1.742) 5.842 3.117 ( -0.328 -0.189 0.363) 0.525 3.163 ( -2.326 -1.343 0.068) 2.687 3.223 ( 3.373 1.947 4.957) 6.304 3.363 ( 4.696 2.711 -3.888) 6.673 3.472 ( 5.094 2.941 0.557) 5.908 3.811 ( 1.132 0.653 -1.104) 1.711 4.261 ( -0.561 -0.324 -0.826) 1.050======================= Grid point 196 (59/231) =======================q-point: (-0.23 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( 3.318 1.916 -2.546) 4.601 1.154 ( 1.128 0.651 -0.940) 1.607 1.175 ( -6.089 -3.515 0.566) 7.054 1.273 ( -3.638 -2.101 1.748) 4.551 1.676 ( 0.373 0.215 0.017) 0.431 1.746 ( -7.456 -4.305 1.573) 8.752 2.030 ( -3.086 -1.782 0.390) 3.585 2.361 ( -5.175 -2.988 -0.079) 5.976 2.492 ( -4.321 -2.495 0.460) 5.011 2.671 ( -6.592 -3.806 0.248) 7.616 2.783 ( 7.265 4.194 1.296) 8.488 2.814 ( 5.053 2.917 0.095) 5.835 2.934 ( -1.161 -0.670 -0.848) 1.586 3.103 ( -1.246 -0.719 -0.944) 1.721 3.125 ( 0.976 0.564 -0.765) 1.362 3.180 ( 16.614 9.592 2.745) 19.380 3.322 ( 3.456 1.995 5.038) 6.427 3.468 ( 3.929 2.269 -5.662) 7.256 3.631 ( 8.112 4.684 1.869) 9.552 3.859 ( 3.524 2.034 -2.257) 4.653 4.236 ( -1.477 -0.853 -0.676) 1.834======================= Grid point 197 (60/231) =======================q-point: (-0.15 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( -10.040 -5.796 2.523) 11.864 1.137 ( -7.510 -4.336 2.271) 8.964 1.145 ( -2.686 -1.551 -1.735) 3.554 1.212 ( 1.764 1.019 -4.304) 4.762 1.542 ( -9.508 -5.490 2.206) 11.198 1.600 ( -8.423 -4.863 -0.655) 9.748 1.946 ( -3.861 -2.229 0.363) 4.473 2.128 ( -9.618 -5.553 -0.598) 11.122 2.448 ( -11.085 -6.400 0.258) 12.802 2.451 ( -1.307 -0.754 1.329) 2.011 2.860 ( 2.169 1.252 -0.073) 2.505 2.935 ( 4.725 2.728 -0.093) 5.457 3.069 ( 8.304 4.795 -0.684) 9.613 3.130 ( 3.624 2.092 -1.564) 4.467 3.160 ( 2.196 1.268 0.553) 2.596 3.374 ( 0.635 0.367 4.612) 4.670 3.476 ( 1.887 1.089 -4.306) 4.826 3.589 ( 9.848 5.686 0.453) 11.381 3.874 ( 12.072 6.970 4.326) 14.595 3.974 ( 6.201 3.580 -3.079) 7.794 4.195 ( -1.240 -0.716 -1.055) 1.779======================= Grid point 198 (61/231) =======================q-point: (-0.08 0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.702 ( -13.658 -7.885 2.103) 15.910 0.871 ( -14.351 -8.286 2.630) 16.779 1.073 ( -3.551 -2.050 -1.965) 4.547 1.139 ( -14.194 -8.195 -1.889) 16.498 1.315 ( -8.939 -5.161 4.048) 11.087 1.334 ( -6.330 -3.654 -4.170) 8.415 1.852 ( -4.156 -2.399 0.363) 4.812 1.968 ( -4.387 -2.533 -0.657) 5.108 2.191 ( -9.626 -5.557 1.476) 11.212 2.433 ( -0.163 -0.094 1.447) 1.459 2.939 ( 4.075 2.353 -0.057) 4.706 3.028 ( 2.947 1.701 0.127) 3.405 3.180 ( 2.192 1.266 -3.143) 4.035 3.243 ( 5.423 3.131 -1.843) 6.528 3.278 ( 6.075 3.508 2.334) 7.393 3.350 ( -2.925 -1.689 1.839) 3.846 3.459 ( -1.368 -0.790 -3.584) 3.916 3.746 ( 3.823 2.207 -5.498) 7.051 4.001 ( -2.299 -1.327 5.725) 6.310 4.203 ( 7.159 4.133 5.033) 9.678 4.270 ( 11.550 6.668 -4.707) 14.143======================= Grid point 201 (62/231) =======================q-point: ( 0.15 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.387 ( 0.000 16.767 9.363) 19.204 0.506 ( 0.000 20.581 5.444) 21.289 0.628 ( 0.000 28.059 2.321) 28.155 0.973 ( -0.000 3.143 -3.694) 4.850 1.064 ( -0.000 10.077 -3.248) 10.588 1.314 ( -0.000 -0.427 -2.677) 2.710 1.766 ( 0.000 4.217 4.139) 5.908 1.883 ( -0.000 2.808 -1.045) 2.996 2.059 ( 0.000 4.831 6.791) 8.334 2.460 ( 0.000 -0.443 3.109) 3.141 3.024 ( -0.000 -3.340 -1.180) 3.542 3.066 ( -0.000 -0.171 -0.944) 0.960 3.193 ( -0.000 -1.606 -4.881) 5.138 3.240 ( -0.000 5.591 -10.544) 11.935 3.297 ( -0.000 3.886 -13.300) 13.856 3.393 ( -0.000 0.379 -1.759) 1.799 3.397 ( -0.000 -3.382 0.709) 3.456 3.613 ( -0.000 12.254 -14.364) 18.881 4.031 ( 0.000 -3.768 6.650) 7.643 4.321 ( -0.000 -4.623 -0.874) 4.705 4.551 ( 0.000 -9.987 3.093) 10.455======================= Grid point 202 (63/231) =======================q-point: ( 0.23 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.630 ( 6.451 14.031 7.637) 17.228 0.802 ( 7.512 17.109 2.437) 18.844 1.026 ( 11.859 17.852 0.522) 21.439 1.054 ( 4.294 4.628 -2.724) 6.876 1.197 ( 3.699 8.943 -4.208) 10.553 1.336 ( 3.137 2.790 0.789) 4.272 1.836 ( 2.037 3.558 1.615) 4.406 1.939 ( 2.538 3.846 -0.849) 4.685 2.180 ( 4.562 7.868 8.735) 12.610 2.449 ( -0.946 -0.746 2.590) 2.856 2.955 ( -2.736 -4.231 -1.431) 5.238 3.035 ( -1.652 -2.303 -0.843) 2.957 3.162 ( 0.211 -2.558 -4.740) 5.391 3.258 ( -1.316 -4.188 -4.344) 6.176 3.298 ( -1.643 -0.687 -0.996) 2.040 3.341 ( -1.326 0.966 -0.869) 1.857 3.433 ( 3.133 1.155 -2.528) 4.188 3.762 ( 7.331 1.967 -6.560) 10.032 3.958 ( -6.149 2.339 1.565) 6.762 4.211 ( -5.845 -6.730 -2.200) 9.181 4.385 ( -5.007 -12.397 2.885) 13.678======================= Grid point 203 (64/231) =======================q-point: ( 0.31 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( 6.880 9.222 4.656) 12.412 1.072 ( 5.587 11.204 -0.486) 12.529 1.176 ( 2.522 6.126 0.179) 6.627 1.233 ( 2.943 1.203 -1.046) 3.348 1.409 ( 8.449 8.848 -1.585) 12.336 1.522 ( 8.851 6.505 2.194) 11.202 1.917 ( 2.781 3.991 0.092) 4.865 2.059 ( 5.719 6.385 -0.350) 8.579 2.389 ( 7.359 7.071 7.443) 12.631 2.436 ( 0.067 0.075 0.839) 0.845 2.854 ( -2.381 -4.793 -1.292) 5.505 2.967 ( -2.622 -2.802 -0.623) 3.888 3.130 ( -0.142 -2.582 -4.536) 5.221 3.157 ( -4.178 -4.351 -0.780) 6.082 3.179 ( -5.558 -4.142 0.419) 6.944 3.347 ( -1.622 1.722 -2.883) 3.730 3.495 ( 3.204 -0.432 -0.017) 3.233 3.742 ( -9.910 -1.579 -0.491) 10.047 3.925 ( -4.225 -3.339 -1.768) 5.668 3.991 ( -4.311 -5.941 -3.092) 7.965 4.194 ( -2.093 -9.846 3.096) 10.532======================= Grid point 204 (65/231) =======================q-point: ( 0.38 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 4.621 4.808 0.869) 6.725 1.222 ( -0.163 4.438 -0.628) 4.485 1.250 ( 0.896 6.032 0.857) 6.158 1.268 ( -0.857 2.358 2.072) 3.254 1.626 ( 8.258 5.005 -0.871) 9.696 1.663 ( 2.602 0.217 0.469) 2.653 2.010 ( 2.371 4.357 -0.121) 4.961 2.273 ( 8.421 7.040 -0.166) 10.977 2.452 ( 1.737 -0.143 0.916) 1.969 2.588 ( 6.916 2.891 3.452) 8.252 2.777 ( -0.807 -4.831 -1.072) 5.014 2.895 ( -3.586 -0.590 -0.280) 3.645 2.993 ( -7.154 -1.574 -0.477) 7.341 3.079 ( -1.126 -3.391 -1.086) 3.735 3.113 ( 0.751 -2.007 -1.267) 2.489 3.304 ( -3.192 -0.218 -3.056) 4.424 3.427 ( -18.519 -4.542 -0.995) 19.094 3.522 ( 0.484 -2.437 0.970) 2.667 3.718 ( -8.717 -4.506 -0.271) 9.816 3.894 ( -3.216 -5.714 -0.758) 6.601 4.161 ( 4.906 -5.855 1.115) 7.719======================= Grid point 205 (66/231) =======================q-point: ( 0.46 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -1.238 -0.285 2.679) 2.965 1.210 ( 0.030 2.510 -2.599) 3.613 1.250 ( -5.721 4.740 2.465) 7.828 1.331 ( 0.050 5.937 -1.535) 6.132 1.664 ( -0.850 -0.947 1.075) 1.665 1.791 ( 5.446 1.544 -1.128) 5.772 2.083 ( 1.354 3.291 0.081) 3.560 2.339 ( -2.635 -3.715 -0.395) 4.572 2.542 ( 4.880 1.386 0.134) 5.075 2.672 ( -3.154 -0.077 0.219) 3.163 2.734 ( -0.552 -0.137 -0.691) 0.895 2.778 ( -3.060 -0.096 -0.425) 3.091 2.959 ( 1.425 -0.991 1.496) 2.291 3.022 ( -4.611 -2.936 -0.265) 5.473 3.107 ( -1.435 -1.477 -2.304) 3.090 3.153 ( -1.083 1.448 0.882) 2.012 3.234 ( -3.628 0.149 -1.866) 4.083 3.458 ( -4.555 -4.076 1.647) 6.330 3.532 ( -6.700 -3.106 -0.139) 7.387 3.804 ( -0.564 -4.308 -0.426) 4.365 4.191 ( 4.637 -5.863 0.135) 7.476======================= Grid point 206 (67/231) =======================q-point: ( 0.54 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.073 ( -5.265 0.534 3.643) 6.425 1.189 ( -7.378 6.990 2.457) 10.456 1.266 ( 3.342 1.024 -4.918) 6.033 1.371 ( -1.273 4.469 -0.825) 4.719 1.645 ( -1.164 1.023 2.050) 2.569 1.807 ( -2.555 -2.170 -3.175) 4.617 2.129 ( 0.341 2.556 0.122) 2.582 2.251 ( -0.898 -3.029 0.534) 3.204 2.528 ( -9.744 2.130 0.296) 9.979 2.552 ( -2.388 -0.821 -0.320) 2.545 2.683 ( -1.186 -0.555 0.077) 1.311 2.851 ( 2.006 2.671 -0.094) 3.342 2.937 ( 1.480 -0.179 0.980) 1.784 3.023 ( 3.249 -2.818 0.172) 4.304 3.092 ( 0.426 -0.529 -2.939) 3.016 3.173 ( 0.736 -0.599 0.806) 1.245 3.223 ( -0.321 2.767 0.378) 2.811 3.332 ( -3.489 -2.538 0.503) 4.343 3.417 ( -3.280 -3.274 0.909) 4.722 3.772 ( 1.089 -3.344 -0.397) 3.539 4.204 ( 3.814 -6.088 -0.553) 7.205======================= Grid point 207 (68/231) =======================q-point: (-0.38 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( -3.414 3.341 1.797) 5.103 1.158 ( -5.773 9.370 2.431) 11.271 1.321 ( 2.922 -0.050 -3.722) 4.732 1.376 ( -2.003 2.274 0.464) 3.065 1.631 ( -2.576 1.085 -1.469) 3.158 1.768 ( 1.594 2.425 1.940) 3.490 2.146 ( -1.004 2.050 0.365) 2.311 2.234 ( 0.803 -2.342 -0.188) 2.483 2.449 ( -3.129 5.834 1.806) 6.862 2.514 ( -1.047 1.551 -1.085) 2.163 2.670 ( -0.198 -0.019 -0.392) 0.440 2.871 ( -1.586 1.823 -1.967) 3.116 2.960 ( 0.730 -2.113 -0.012) 2.236 3.035 ( 2.320 -3.156 1.530) 4.205 3.107 ( 1.355 0.034 -2.101) 2.500 3.188 ( -0.717 -0.400 2.080) 2.236 3.224 ( 0.954 1.071 1.786) 2.291 3.301 ( -0.465 -0.311 -0.198) 0.594 3.355 ( 0.290 -2.302 -0.422) 2.358 3.765 ( 1.668 -2.948 -0.515) 3.426 4.204 ( 3.527 -6.156 -0.962) 7.160======================= Grid point 208 (69/231) =======================q-point: (-0.31 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( 0.453 5.095 -0.135) 5.117 1.182 ( -3.556 10.015 1.457) 10.727 1.327 ( -1.389 -2.641 1.219) 3.223 1.365 ( -1.453 2.741 -1.196) 3.325 1.620 ( 0.154 2.333 -0.807) 2.474 1.852 ( 2.586 -0.581 1.613) 3.103 2.134 ( -2.654 1.230 0.567) 2.980 2.244 ( 3.580 -0.049 -0.083) 3.581 2.532 ( 2.487 6.096 -0.026) 6.584 2.561 ( 3.319 6.030 1.477) 7.040 2.688 ( 1.644 1.936 0.659) 2.624 2.839 ( -2.752 -0.370 -1.590) 3.199 2.912 ( -1.339 -3.201 -1.517) 3.786 3.025 ( -0.004 -4.511 0.126) 4.513 3.115 ( 0.192 -0.978 -0.131) 1.005 3.198 ( 1.857 0.062 3.213) 3.712 3.235 ( -3.537 2.547 1.686) 4.673 3.305 ( 2.972 0.603 -2.601) 3.995 3.404 ( 5.268 1.570 -0.042) 5.497 3.768 ( 2.202 -2.756 -0.888) 3.638 4.199 ( 3.304 -6.372 -1.040) 7.253======================= Grid point 209 (70/231) =======================q-point: (-0.23 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.112 ( 2.106 4.284 -1.535) 5.014 1.216 ( -3.232 4.403 -0.819) 5.523 1.252 ( -4.330 0.680 2.250) 4.927 1.348 ( -3.688 2.292 0.130) 4.344 1.662 ( 1.540 1.189 0.588) 2.033 1.801 ( -3.865 -5.398 0.113) 6.640 2.086 ( -3.567 0.500 0.455) 3.631 2.343 ( 4.353 0.650 -0.055) 4.401 2.557 ( -4.328 -3.206 1.451) 5.578 2.677 ( 0.828 0.848 0.829) 1.446 2.739 ( -0.713 -1.792 -0.381) 1.966 2.787 ( 3.156 4.941 0.352) 5.873 2.933 ( 0.526 -1.828 -1.007) 2.152 3.036 ( 7.559 4.933 1.051) 9.087 3.118 ( 0.645 -0.112 -0.874) 1.092 3.151 ( -1.450 2.971 0.596) 3.359 3.297 ( 3.165 2.912 4.949) 6.557 3.388 ( 5.060 1.098 -5.489) 7.545 3.549 ( 6.756 4.737 1.218) 8.341 3.790 ( 3.686 -2.010 -1.627) 4.503 4.182 ( 2.619 -6.948 -0.813) 7.470======================= Grid point 210 (71/231) =======================q-point: (-0.15 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( -7.677 -3.698 2.071) 8.769 1.175 ( 0.829 2.681 -3.248) 4.292 1.237 ( -3.910 4.951 -1.173) 6.417 1.270 ( -7.336 0.939 1.559) 7.559 1.632 ( -6.228 -5.215 0.068) 8.124 1.673 ( -3.566 -2.101 1.264) 4.328 2.015 ( -4.910 -0.020 0.301) 4.920 2.272 ( -10.938 -3.835 -0.246) 11.593 2.455 ( -0.617 -1.698 1.027) 2.078 2.563 ( -7.636 -5.325 0.955) 9.358 2.785 ( 4.752 -2.096 -0.231) 5.199 2.893 ( 2.716 2.776 -0.538) 3.921 2.995 ( 5.423 5.671 -0.297) 7.852 3.088 ( 1.880 -0.678 -0.807) 2.155 3.121 ( 2.701 -0.338 -0.471) 2.763 3.377 ( 1.835 2.354 4.933) 5.766 3.440 ( 4.605 4.568 -2.310) 6.886 3.484 ( 11.737 8.481 -0.659) 14.496 3.738 ( 8.991 4.803 1.053) 10.247 3.866 ( 6.759 -0.285 -2.453) 7.196 4.147 ( 1.890 -7.256 -0.315) 7.505======================= Grid point 211 (72/231) =======================q-point: (-0.08 0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.883 ( -12.337 -3.615 1.942) 13.001 1.090 ( -12.775 -1.114 1.493) 12.910 1.160 ( -5.445 2.377 -1.624) 6.159 1.223 ( -1.546 1.135 -2.388) 3.063 1.439 ( -9.026 -4.360 0.750) 10.052 1.491 ( -13.760 -3.833 0.644) 14.299 1.918 ( -5.123 -0.740 0.275) 5.184 2.057 ( -8.135 -1.260 -0.547) 8.250 2.343 ( -11.061 -3.204 2.500) 11.784 2.437 ( -0.556 -0.906 1.202) 1.605 2.863 ( 5.552 -0.298 -0.268) 5.567 2.971 ( 4.043 0.722 -0.122) 4.109 3.126 ( 3.907 1.616 -3.124) 5.257 3.167 ( 5.452 1.438 -1.590) 5.858 3.199 ( 5.863 1.415 1.654) 6.254 3.398 ( -1.912 0.189 2.165) 2.894 3.456 ( 0.388 -0.445 -3.154) 3.209 3.739 ( 3.068 7.632 -2.139) 8.500 3.974 ( 3.990 -1.182 1.915) 4.581 4.033 ( 17.221 3.823 0.774) 17.657 4.127 ( 4.576 -3.737 -0.685) 5.948======================= Grid point 215 (73/231) =======================q-point: ( 0.23 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.761 ( 0.000 15.155 10.235) 18.287 0.907 ( 0.000 16.083 3.411) 16.441 1.041 ( -0.000 4.386 -3.398) 5.548 1.108 ( -0.000 12.127 -3.715) 12.684 1.278 ( 0.000 13.329 -3.253) 13.720 1.365 ( 0.000 8.981 1.966) 9.194 1.861 ( 0.000 4.051 0.847) 4.139 1.959 ( 0.000 5.144 -0.719) 5.194 2.255 ( 0.000 10.525 9.518) 14.191 2.457 ( 0.000 -0.322 2.007) 2.033 2.935 ( -0.000 -4.453 -0.637) 4.498 3.023 ( -0.000 -3.537 -0.993) 3.674 3.126 ( -0.000 -2.877 -6.318) 6.942 3.203 ( -0.000 -4.784 -4.227) 6.384 3.298 ( -0.000 -6.378 1.074) 6.467 3.363 ( 0.000 5.082 0.609) 5.118 3.410 ( -0.000 1.208 -4.533) 4.691 3.691 ( -0.000 -0.518 -3.131) 3.173 4.035 ( 0.000 0.138 0.584) 0.600 4.199 ( -0.000 -6.013 -1.885) 6.302 4.281 ( -0.000 -15.754 1.443) 15.820======================= Grid point 216 (74/231) =======================q-point: ( 0.31 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.937 ( 1.884 11.802 8.578) 14.711 1.104 ( 3.362 9.149 0.430) 9.756 1.143 ( 6.527 5.884 -0.654) 8.812 1.188 ( 3.483 1.651 -3.723) 5.359 1.429 ( 1.350 11.465 -1.851) 11.692 1.516 ( 2.552 12.097 2.433) 12.600 1.921 ( 1.829 4.550 0.127) 4.906 2.052 ( 3.136 7.956 -0.302) 8.557 2.406 ( 2.294 9.955 8.041) 13.001 2.450 ( -0.930 0.317 0.690) 1.201 2.856 ( -3.331 -4.437 -0.851) 5.613 2.966 ( -1.155 -3.881 -0.736) 4.115 3.079 ( 0.446 -3.685 -5.025) 6.247 3.146 ( -0.768 -5.093 -1.315) 5.316 3.209 ( -2.480 -5.608 0.153) 6.134 3.399 ( -1.670 2.116 -1.673) 3.173 3.432 ( 2.501 -0.054 -1.552) 2.944 3.718 ( 5.174 -4.865 -0.521) 7.122 3.971 ( -4.276 -6.879 -0.858) 8.144 4.032 ( -5.739 -10.344 -1.727) 11.955 4.141 ( -4.005 -5.435 1.280) 6.872======================= Grid point 217 (75/231) =======================q-point: ( 0.38 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.082 ( 1.527 6.965 5.229) 8.843 1.209 ( 3.626 0.967 -1.345) 3.986 1.281 ( 3.404 5.580 0.350) 6.546 1.321 ( 3.468 6.597 0.289) 7.458 1.560 ( 3.807 6.222 0.489) 7.310 1.637 ( 1.177 3.793 -0.849) 4.061 2.017 ( 2.691 5.031 0.006) 5.705 2.232 ( 5.907 9.962 0.077) 11.582 2.441 ( -0.393 0.253 0.530) 0.707 2.547 ( 2.860 5.655 4.853) 7.981 2.748 ( -2.559 -4.597 -0.904) 5.338 2.919 ( -0.438 -1.598 -0.585) 1.758 3.043 ( -0.579 -4.302 -4.020) 5.916 3.075 ( -0.632 -2.679 0.137) 2.756 3.099 ( -4.428 -3.503 -0.043) 5.646 3.353 ( -3.342 -0.759 -2.266) 4.109 3.469 ( 2.385 -1.719 0.078) 2.941 3.626 ( -9.802 -11.290 -1.837) 15.064 3.803 ( -1.943 -4.188 -0.273) 4.625 3.882 ( -3.256 -7.585 0.086) 8.255 4.023 ( -1.926 -4.981 0.890) 5.414======================= Grid point 218 (76/231) =======================q-point: ( 0.46 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( 0.378 2.608 1.959) 3.284 1.247 ( -0.000 0.569 0.178) 0.596 1.389 ( 1.056 6.253 -0.263) 6.347 1.400 ( -2.454 7.459 0.489) 7.868 1.650 ( 1.358 -0.690 -0.517) 1.608 1.707 ( 5.271 2.691 0.854) 5.980 2.095 ( 1.252 2.937 -0.027) 3.192 2.380 ( -2.536 3.686 -0.393) 4.491 2.470 ( 5.292 2.115 0.852) 5.762 2.647 ( 3.399 2.396 1.860) 4.555 2.688 ( 1.348 -3.646 -0.628) 3.938 2.880 ( -4.630 -0.863 -1.298) 4.885 2.985 ( -0.985 -0.260 -1.446) 1.769 2.996 ( -2.007 -2.955 0.314) 3.586 3.078 ( 1.814 -0.730 -0.826) 2.122 3.273 ( -2.829 -2.418 -1.945) 4.199 3.304 ( -11.907 -6.832 -0.991) 13.764 3.470 ( -0.724 -2.628 1.995) 3.378 3.669 ( -9.661 -1.011 -0.899) 9.755 3.764 ( -1.933 -5.813 0.159) 6.128 3.998 ( 6.383 -9.785 0.452) 11.692======================= Grid point 219 (77/231) =======================q-point: ( 0.54 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( -1.811 1.188 2.304) 3.163 1.246 ( -0.687 1.840 -2.502) 3.181 1.388 ( -5.530 6.433 0.196) 8.485 1.448 ( -1.392 4.661 1.046) 4.976 1.675 ( 0.548 2.293 0.335) 2.382 1.797 ( 2.123 0.524 -0.304) 2.208 2.133 ( 1.512 0.562 -0.106) 1.616 2.300 ( -6.564 1.994 0.005) 6.860 2.552 ( 0.747 0.452 -0.408) 0.964 2.693 ( -1.542 0.665 -0.681) 1.812 2.747 ( 0.694 1.796 0.343) 1.956 2.774 ( 0.253 -0.333 -1.012) 1.095 2.924 ( -2.079 -2.653 2.117) 3.981 2.975 ( -0.055 -1.703 0.666) 1.829 3.089 ( -0.433 0.920 -2.357) 2.567 3.152 ( -0.854 -1.828 -0.311) 2.041 3.230 ( 1.176 -1.024 -0.898) 1.799 3.391 ( -5.125 -2.420 1.266) 5.807 3.487 ( -8.260 -1.417 0.428) 8.391 3.699 ( 1.195 -5.519 -0.194) 5.650 4.015 ( 6.974 -10.745 -0.407) 12.816======================= Grid point 220 (78/231) =======================q-point: ( 0.62 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.133 ( -4.236 3.772 1.633) 5.903 1.261 ( 1.928 0.053 -3.158) 3.700 1.366 ( -4.773 7.581 1.230) 9.042 1.448 ( -2.569 2.298 1.467) 3.746 1.696 ( -2.054 3.485 -1.502) 4.316 1.813 ( -1.473 3.933 1.346) 4.411 2.164 ( 2.280 -1.367 -0.536) 2.711 2.232 ( -4.251 3.738 0.238) 5.666 2.542 ( -1.181 0.708 -1.442) 1.993 2.622 ( -7.142 6.339 0.726) 9.577 2.707 ( -2.537 2.671 -0.323) 3.698 2.872 ( 3.890 -1.677 0.148) 4.239 2.908 ( 1.528 -2.131 1.763) 3.160 2.977 ( 1.732 -1.950 0.952) 2.776 3.086 ( -0.005 0.622 -3.355) 3.412 3.145 ( 2.452 -2.188 1.231) 3.509 3.244 ( -1.341 0.043 -1.120) 1.748 3.297 ( -0.423 -1.861 0.581) 1.995 3.363 ( -4.049 -1.572 1.581) 4.622 3.681 ( 2.637 -5.123 -0.338) 5.772 4.021 ( 6.448 -10.995 -1.003) 12.786======================= Grid point 221 (79/231) =======================q-point: (-0.31 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( -2.632 5.411 0.569) 6.044 1.290 ( 1.930 -1.873 -1.758) 3.213 1.378 ( -4.029 9.169 2.333) 10.283 1.428 ( -2.141 2.607 0.256) 3.383 1.679 ( -3.166 4.077 -1.995) 5.534 1.838 ( -0.831 2.076 2.374) 3.261 2.169 ( 0.629 -3.211 -0.195) 3.278 2.231 ( -1.450 6.633 0.117) 6.791 2.541 ( 0.213 1.744 -1.707) 2.450 2.634 ( -1.140 9.787 1.666) 9.993 2.714 ( -0.502 4.257 0.227) 4.293 2.864 ( -1.146 -2.517 -1.476) 3.135 2.875 ( -0.908 -5.455 0.351) 5.541 2.981 ( 1.061 -3.041 1.334) 3.486 3.098 ( 0.829 0.089 -1.910) 2.084 3.168 ( 1.546 -1.259 2.610) 3.284 3.255 ( 2.112 0.392 -1.691) 2.734 3.298 ( -0.416 -1.958 0.771) 2.145 3.337 ( 3.009 4.015 0.827) 5.085 3.679 ( 2.937 -4.950 -0.561) 5.783 4.018 ( 6.236 -11.122 -1.215) 12.808======================= Grid point 222 (80/231) =======================q-point: (-0.23 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -0.416 5.193 0.597) 5.244 1.263 ( -1.783 -2.725 -0.571) 3.306 1.412 ( -4.607 9.553 1.759) 10.751 1.427 ( -1.575 3.092 -0.555) 3.514 1.670 ( -1.104 2.191 -0.205) 2.462 1.796 ( -2.784 -4.454 -0.248) 5.258 2.138 ( -1.264 -1.061 0.166) 1.659 2.309 ( 1.685 6.644 0.470) 6.871 2.571 ( 0.342 0.702 0.685) 1.039 2.698 ( 0.015 -0.585 -0.585) 0.827 2.737 ( -4.119 -4.428 -0.267) 6.053 2.795 ( 1.632 3.686 -0.038) 4.031 2.894 ( 3.864 3.236 0.830) 5.108 2.977 ( 2.362 -0.199 0.724) 2.479 3.101 ( 0.179 -0.240 -1.293) 1.327 3.180 ( 0.211 -1.181 1.457) 1.887 3.288 ( 2.195 0.654 3.285) 4.004 3.308 ( 3.160 1.502 -4.231) 5.490 3.499 ( 6.104 7.500 0.705) 9.695 3.689 ( 3.733 -3.826 -0.713) 5.392 4.008 ( 5.753 -11.417 -1.025) 12.826======================= Grid point 223 (81/231) =======================q-point: (-0.15 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( -4.567 -2.104 0.149) 5.030 1.194 ( 0.065 3.196 -0.028) 3.197 1.382 ( -5.691 3.061 -0.349) 6.471 1.414 ( -5.760 4.991 0.771) 7.661 1.669 ( -3.180 -2.817 1.045) 4.375 1.686 ( -0.732 -2.435 -0.961) 2.718 2.098 ( -3.239 0.236 0.101) 3.249 2.384 ( -1.500 3.648 -0.024) 3.944 2.481 ( -6.430 -4.680 1.033) 8.020 2.625 ( -4.351 -2.209 0.827) 4.949 2.688 ( 3.141 -2.773 -0.711) 4.250 2.886 ( 2.114 3.928 -0.885) 4.548 2.970 ( 3.321 3.387 -0.913) 4.831 3.039 ( 2.050 -2.180 1.755) 3.469 3.077 ( -0.073 -1.839 -1.220) 2.208 3.325 ( 12.637 5.006 -0.846) 13.619 3.365 ( 4.364 1.049 1.533) 4.743 3.381 ( 3.519 2.059 0.280) 4.086 3.684 ( 5.956 7.053 -0.584) 9.249 3.742 ( 4.716 -0.256 -0.455) 4.745 3.988 ( 5.209 -10.320 -0.334) 11.565======================= Grid point 224 (82/231) =======================q-point: (-0.08 0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.052 ( -8.309 -0.791 0.437) 8.358 1.216 ( -0.402 1.423 0.125) 1.484 1.274 ( -8.002 -0.322 0.518) 8.025 1.321 ( -7.023 -0.041 -0.118) 7.025 1.553 ( -6.495 -0.012 0.509) 6.515 1.645 ( -4.884 -0.337 -0.389) 4.911 2.017 ( -5.741 -0.104 -0.001) 5.742 2.233 ( -11.710 0.129 -0.164) 11.712 2.433 ( -0.158 -0.414 0.623) 0.765 2.507 ( -7.717 -0.094 1.977) 7.967 2.756 ( 5.433 0.090 -0.413) 5.449 2.924 ( 1.332 0.094 -0.186) 1.348 3.074 ( 5.226 0.294 -1.329) 5.400 3.084 ( 2.765 2.673 -1.422) 4.100 3.096 ( 4.995 -2.713 0.560) 5.712 3.391 ( 1.578 -2.493 -4.059) 5.018 3.446 ( 1.728 2.621 3.468) 4.678 3.652 ( 15.322 -1.636 -1.958) 15.533 3.814 ( 4.766 0.116 -1.116) 4.897 3.865 ( 8.258 1.143 2.009) 8.576 4.014 ( 4.707 0.135 0.549) 4.741======================= Grid point 229 (83/231) =======================q-point: ( 0.31 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.050 ( 0.000 7.948 7.411) 10.867 1.111 ( -0.000 3.127 -1.814) 3.615 1.155 ( -0.000 1.213 -2.459) 2.742 1.175 ( 0.000 8.680 1.671) 8.839 1.535 ( 0.000 10.558 -2.162) 10.777 1.631 ( 0.000 10.028 2.353) 10.300 1.948 ( 0.000 4.358 -0.216) 4.363 2.123 ( 0.000 11.593 0.160) 11.594 2.465 ( -0.000 0.682 -0.241) 0.724 2.517 ( 0.000 10.785 6.951) 12.831 2.858 ( -0.000 -2.598 0.137) 2.601 2.920 ( -0.000 -5.764 -1.518) 5.960 3.025 ( -0.000 -4.962 -4.212) 6.509 3.096 ( -0.000 -3.797 -0.601) 3.844 3.165 ( -0.000 -5.666 -0.074) 5.666 3.390 ( -0.000 -1.605 -4.699) 4.966 3.442 ( 0.000 1.563 1.859) 2.429 3.583 ( -0.000 -10.662 0.523) 10.675 3.890 ( -0.000 -15.167 -2.507) 15.373 3.952 ( -0.000 -8.228 -0.134) 8.229 4.195 ( 0.000 1.679 0.438) 1.736======================= Grid point 230 (84/231) =======================q-point: ( 0.38 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 2.773 1.228 1.984) 3.624 1.168 ( 1.216 3.683 1.495) 4.157 1.227 ( 5.550 3.186 0.482) 6.418 1.288 ( 4.320 4.473 0.543) 6.242 1.625 ( -0.434 8.101 -0.818) 8.154 1.691 ( -1.734 3.902 0.399) 4.289 2.017 ( 2.438 4.362 -0.139) 4.999 2.270 ( 2.088 11.026 0.015) 11.222 2.466 ( -0.853 1.668 0.233) 1.888 2.613 ( -1.208 7.165 4.059) 8.323 2.775 ( -4.383 -3.295 -0.701) 5.528 2.876 ( 1.209 -4.609 -1.036) 4.876 2.979 ( 1.175 -4.161 -1.525) 4.585 3.071 ( -0.277 -1.458 -0.270) 1.509 3.108 ( -1.432 -2.888 -0.682) 3.295 3.368 ( -0.003 -2.774 -3.935) 4.814 3.431 ( -0.296 -3.200 -0.394) 3.238 3.495 ( 4.221 -15.638 1.520) 16.269 3.730 ( -1.136 -9.700 -0.768) 9.796 3.853 ( -2.671 -6.332 -0.358) 6.882 4.148 ( -7.070 1.547 0.474) 7.253======================= Grid point 231 (85/231) =======================q-point: ( 0.46 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.185 ( 1.473 0.701 2.342) 2.854 1.214 ( 1.615 1.361 0.130) 2.116 1.379 ( 5.615 3.394 0.089) 6.562 1.424 ( 6.770 2.856 0.191) 7.350 1.664 ( -3.316 2.612 -1.136) 4.371 1.692 ( 0.830 3.457 1.299) 3.785 2.098 ( 1.605 2.635 -0.117) 3.087 2.381 ( 4.429 -0.010 -0.282) 4.438 2.493 ( -1.803 7.608 0.413) 7.830 2.652 ( -0.010 2.468 1.508) 2.893 2.678 ( -3.692 -0.967 -0.066) 3.817 2.864 ( 2.499 -3.949 -1.314) 4.854 2.958 ( -0.126 -1.954 -0.539) 2.031 3.037 ( -1.547 -2.073 -1.842) 3.176 3.071 ( -1.198 1.503 0.644) 2.027 3.279 ( -2.867 -6.363 -2.069) 7.279 3.341 ( -2.457 -10.565 -2.444) 11.119 3.443 ( 1.139 -2.879 2.636) 4.067 3.679 ( 4.355 -9.426 0.136) 10.385 3.738 ( -3.211 -3.625 -0.239) 4.849 3.990 ( -11.080 -0.085 0.564) 11.095======================= Grid point 232 (86/231) =======================q-point: ( 0.54 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( -0.819 1.333 0.987) 1.850 1.257 ( 1.559 -0.098 -0.214) 1.577 1.466 ( 1.238 0.910 0.340) 1.573 1.525 ( -0.744 3.268 -0.517) 3.391 1.670 ( 2.405 3.286 -0.853) 4.161 1.764 ( 2.991 3.382 1.877) 4.889 2.116 ( -0.192 -0.282 -0.332) 0.476 2.467 ( 0.825 2.426 0.825) 2.692 2.526 ( 0.996 4.532 -0.551) 4.673 2.607 ( -0.547 -2.505 -0.671) 2.651 2.699 ( 1.812 1.093 0.538) 2.183 2.848 ( -1.308 -2.004 -1.056) 2.615 2.948 ( 0.531 -0.153 0.280) 0.619 2.978 ( -2.987 -1.467 0.076) 3.329 3.088 ( 1.290 1.096 -0.441) 1.750 3.180 ( -3.066 -3.565 -0.303) 4.711 3.189 ( -2.473 -4.282 -2.849) 5.707 3.431 ( -0.494 -2.549 2.721) 3.761 3.589 ( -3.292 -5.596 -0.441) 6.508 3.710 ( -2.506 -1.833 -0.509) 3.146 3.791 ( -2.616 -8.484 0.562) 8.896======================= Grid point 233 (87/231) =======================q-point: ( 0.62 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( -0.202 2.131 0.960) 2.346 1.258 ( -1.030 -0.029 -1.148) 1.543 1.466 ( -1.260 1.613 0.150) 2.052 1.508 ( -2.344 0.488 0.616) 2.472 1.755 ( 0.860 5.188 -1.028) 5.358 1.854 ( 1.907 4.023 0.902) 4.542 2.109 ( 0.987 -1.836 -0.371) 2.117 2.429 ( -8.546 9.477 0.600) 12.776 2.573 ( -1.035 1.767 -0.667) 2.153 2.692 ( 8.688 -0.283 -0.272) 8.697 2.738 ( 4.220 -2.351 -0.251) 4.837 2.797 ( -3.230 1.953 -0.275) 3.784 2.906 ( -4.404 1.014 2.375) 5.105 2.948 ( -0.158 -2.058 0.838) 2.227 3.081 ( -0.189 -2.926 -2.388) 3.782 3.124 ( -0.792 1.646 -0.458) 1.883 3.186 ( 3.529 -2.273 -0.936) 4.300 3.369 ( -5.014 -0.390 1.111) 5.150 3.453 ( -7.313 -2.834 0.602) 7.866 3.592 ( -0.854 -4.418 0.193) 4.504 3.767 ( 7.260 -12.295 -0.859) 14.304======================= Grid point 234 (88/231) =======================q-point: (-0.31 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.215 ( -2.517 3.278 -0.159) 4.136 1.243 ( 0.938 -0.752 -0.649) 1.366 1.473 ( -1.802 0.478 0.619) 1.965 1.481 ( 0.115 3.003 0.795) 3.108 1.786 ( -3.017 5.257 -1.501) 6.245 1.901 ( -1.091 2.072 1.399) 2.728 2.110 ( 1.589 -2.383 -0.315) 2.882 2.400 ( -6.549 11.455 0.722) 13.215 2.569 ( -1.532 2.355 -1.429) 3.152 2.745 ( 0.887 0.421 0.263) 1.017 2.772 ( -1.848 3.478 -0.365) 3.956 2.840 ( -0.026 3.022 1.165) 3.239 2.863 ( -2.646 -5.660 0.194) 6.251 2.903 ( 3.222 -3.331 1.266) 4.804 3.075 ( 1.241 -0.138 -1.927) 2.296 3.141 ( 1.093 1.255 0.912) 1.898 3.209 ( 1.828 -3.053 -1.757) 3.969 3.297 ( -1.754 2.252 0.804) 2.966 3.357 ( -0.885 0.272 1.415) 1.691 3.571 ( 2.743 -4.982 -0.177) 5.690 3.765 ( 7.224 -12.613 -1.202) 14.585======================= Grid point 235 (89/231) =======================q-point: (-0.23 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.215 ( -1.262 3.308 1.022) 3.685 1.244 ( 0.348 -1.723 -1.325) 2.201 1.463 ( -0.432 1.093 0.198) 1.192 1.524 ( 0.418 3.235 0.835) 3.367 1.755 ( -4.785 2.880 -0.975) 5.669 1.849 ( -5.482 -0.796 0.649) 5.578 2.115 ( 1.287 -1.560 -0.191) 2.031 2.432 ( -3.950 11.782 0.717) 12.447 2.577 ( 0.333 1.995 -0.578) 2.103 2.676 ( -4.022 -9.101 -0.717) 9.975 2.745 ( -0.932 -4.211 -0.152) 4.316 2.804 ( 1.071 3.299 -0.078) 3.470 2.893 ( 1.186 5.165 1.855) 5.614 2.938 ( 1.797 -1.544 0.646) 2.456 3.102 ( 1.124 0.944 -1.243) 1.923 3.149 ( -0.072 -2.136 1.014) 2.365 3.214 ( 3.127 -1.431 -2.429) 4.210 3.315 ( 0.127 2.313 1.188) 2.603 3.467 ( 6.134 5.906 0.693) 8.544 3.590 ( 4.374 -0.879 0.212) 4.466 3.760 ( 6.831 -12.378 -1.213) 14.190======================= Grid point 236 (90/231) =======================q-point: (-0.15 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( -1.250 -1.581 -2.321) 3.074 1.237 ( -1.038 1.595 2.549) 3.181 1.462 ( -1.446 0.239 0.081) 1.468 1.533 ( -2.485 -0.990 -0.289) 2.690 1.690 ( -3.093 -0.039 -1.221) 3.326 1.730 ( -5.547 0.646 1.599) 5.809 2.121 ( 0.138 -0.052 -0.203) 0.251 2.455 ( -2.731 -0.328 0.356) 2.774 2.535 ( -3.544 -0.556 -0.329) 3.603 2.619 ( 2.325 0.265 -0.449) 2.382 2.687 ( -3.147 0.534 0.480) 3.228 2.865 ( 2.927 -0.005 -0.552) 2.979 2.945 ( 1.131 0.626 -0.009) 1.293 2.974 ( 3.912 -1.326 0.259) 4.138 3.087 ( -1.958 0.448 0.207) 2.019 3.182 ( 5.318 -0.339 -0.004) 5.329 3.266 ( 4.216 -0.820 -4.896) 6.513 3.362 ( 2.313 0.918 4.548) 5.184 3.592 ( 6.068 0.344 0.059) 6.078 3.726 ( 2.718 -1.713 -0.806) 3.312 3.780 ( 8.710 1.802 0.436) 8.906======================= Grid point 237 (91/231) =======================q-point: (-0.08 0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( -3.129 -0.345 -1.895) 3.674 1.228 ( -0.853 -0.533 3.114) 3.273 1.387 ( -5.749 -2.529 0.465) 6.297 1.405 ( -5.582 -5.660 -0.886) 7.998 1.658 ( -1.204 1.652 -0.820) 2.203 1.696 ( -3.244 3.288 0.915) 4.708 2.096 ( -3.246 -0.392 -0.175) 3.274 2.383 ( -1.314 -3.943 -0.159) 4.159 2.470 ( -5.872 3.970 -0.792) 7.132 2.628 ( -4.618 2.123 1.182) 5.218 2.692 ( 2.875 3.052 0.005) 4.192 2.890 ( 2.452 -3.684 -0.273) 4.433 2.981 ( 2.992 -4.041 0.953) 5.118 3.015 ( 2.184 2.459 -2.361) 4.049 3.085 ( 0.030 2.260 -0.051) 2.261 3.310 ( 4.546 -1.656 -4.162) 6.382 3.318 ( 11.549 -7.582 -1.825) 13.936 3.430 ( 3.438 0.834 4.877) 6.024 3.682 ( 5.678 -8.019 -1.056) 9.882 3.753 ( 5.712 1.603 1.436) 6.104 3.993 ( 5.034 10.557 0.459) 11.704======================= Grid point 243 (92/231) =======================q-point: ( 0.38 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 0.000 -0.906 0.491) 1.030 1.152 ( 0.000 1.045 0.688) 1.252 1.249 ( 0.000 3.610 3.275) 4.874 1.279 ( -0.000 1.835 -1.249) 2.220 1.686 ( 0.000 2.567 0.902) 2.721 1.755 ( -0.000 4.815 -1.499) 5.043 2.035 ( 0.000 3.950 -0.086) 3.951 2.345 ( 0.000 4.217 -0.843) 4.300 2.513 ( 0.000 6.658 1.159) 6.758 2.707 ( 0.000 5.151 1.925) 5.499 2.781 ( -0.000 -6.771 -1.373) 6.909 2.793 ( -0.000 -5.255 -1.203) 5.391 2.942 ( 0.000 -0.220 1.321) 1.339 3.067 ( 0.000 1.026 -0.251) 1.056 3.108 ( -0.000 0.787 -0.296) 0.841 3.217 ( -0.000 -18.692 -2.095) 18.809 3.332 ( -0.000 -4.570 -4.025) 6.090 3.435 ( 0.000 -3.329 3.402) 4.760 3.641 ( -0.000 -9.060 -0.699) 9.087 3.829 ( -0.000 -3.502 -0.245) 3.511 4.229 ( 0.000 1.072 0.397) 1.144======================= Grid point 244 (93/231) =======================q-point: ( 0.46 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( 3.339 -0.935 1.795) 3.905 1.219 ( 3.717 0.650 0.056) 3.774 1.291 ( 3.452 1.551 1.356) 4.020 1.328 ( 4.587 0.248 -1.515) 4.837 1.689 ( -0.168 -1.701 1.713) 2.420 1.776 ( -2.438 4.763 -2.243) 5.802 2.092 ( 1.912 3.037 -0.078) 3.590 2.331 ( -0.821 -3.546 -0.433) 3.665 2.582 ( -0.787 4.491 0.077) 4.561 2.695 ( -0.150 -3.809 -0.265) 3.822 2.725 ( -1.999 3.258 0.141) 3.825 2.768 ( 1.750 -3.808 -1.138) 4.342 2.957 ( -0.042 1.777 2.507) 3.073 3.029 ( -0.574 -5.635 -1.120) 5.773 3.081 ( -0.101 -4.602 -2.309) 5.150 3.175 ( 3.202 -0.561 0.818) 3.352 3.282 ( -0.171 -3.697 -3.510) 5.101 3.396 ( 0.201 -4.508 3.218) 5.543 3.551 ( 0.016 -7.599 -0.535) 7.618 3.774 ( -3.071 -1.899 0.185) 3.615 4.171 ( -7.235 0.545 0.358) 7.265======================= Grid point 245 (94/231) =======================q-point: ( 0.54 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( 4.087 -0.954 1.733) 4.540 1.230 ( -0.472 -0.174 -1.907) 1.972 1.410 ( 5.023 0.138 -0.691) 5.072 1.457 ( 8.580 0.519 1.163) 8.674 1.672 ( 0.441 -0.772 0.579) 1.062 1.788 ( -0.240 4.555 -0.320) 4.573 2.135 ( -0.711 1.400 -0.276) 1.595 2.309 ( 5.267 -4.609 -0.355) 7.008 2.570 ( -0.123 -2.168 -0.803) 2.316 2.681 ( -0.305 0.133 -0.223) 0.401 2.745 ( -2.582 6.971 0.761) 7.473 2.768 ( 2.954 -3.634 -1.255) 4.848 2.957 ( -0.117 -3.596 2.325) 4.284 2.986 ( -1.253 0.621 0.024) 1.399 3.051 ( 1.644 -1.847 -2.054) 3.214 3.186 ( -1.965 0.236 -2.184) 2.947 3.222 ( -2.685 -2.010 -0.295) 3.368 3.373 ( 1.490 -4.483 2.132) 5.183 3.500 ( 3.094 -7.483 -0.185) 8.100 3.686 ( -4.647 -1.462 0.321) 4.882 3.994 ( -12.650 0.109 0.359) 12.655======================= Grid point 246 (95/231) =======================q-point: ( 0.62 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 0.151 0.868 -0.347) 0.947 1.236 ( 2.584 -1.447 0.521) 3.007 1.468 ( 1.569 0.168 0.066) 1.579 1.528 ( 0.254 -1.681 -0.522) 1.779 1.739 ( 5.333 2.572 -0.028) 5.921 1.864 ( 1.849 4.804 0.282) 5.155 2.106 ( -1.958 -0.269 -0.260) 1.993 2.441 ( 12.876 -2.406 -0.156) 13.100 2.564 ( 2.144 -1.528 -0.152) 2.638 2.676 ( -4.525 6.811 0.688) 8.206 2.737 ( -3.604 3.407 -0.257) 4.966 2.801 ( 2.593 -1.495 -0.278) 3.006 2.939 ( 1.871 -2.119 0.840) 2.949 2.956 ( -2.305 -0.633 0.392) 2.422 3.059 ( -0.415 -2.880 -1.556) 3.300 3.130 ( -0.696 0.354 -1.617) 1.795 3.174 ( -2.533 1.242 0.315) 2.839 3.365 ( 2.348 -4.167 1.387) 4.980 3.469 ( 0.482 -6.671 -0.400) 6.701 3.596 ( -2.148 -3.712 0.008) 4.289 3.746 ( -14.181 -0.113 0.424) 14.188======================= Grid point 247 (96/231) =======================q-point: ( 0.69 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( 0.107 -0.439 0.610) 0.759 1.255 ( 0.406 0.946 -0.552) 1.168 1.486 ( 0.154 0.320 0.627) 0.721 1.498 ( -0.704 -0.448 -0.713) 1.098 1.852 ( 2.719 3.473 -0.157) 4.414 1.908 ( -0.174 0.648 -0.001) 0.671 2.081 ( -0.215 -0.620 -0.085) 0.661 2.606 ( 1.826 2.552 -0.102) 3.140 2.658 ( -1.412 6.420 0.219) 6.577 2.675 ( 3.735 1.347 1.197) 4.146 2.702 ( 2.152 0.321 -0.955) 2.376 2.819 ( 0.233 -0.001 0.472) 0.526 2.857 ( -4.277 -6.883 -0.295) 8.109 2.984 ( -2.927 3.635 2.236) 5.175 3.030 ( 4.933 0.223 -2.720) 5.638 3.148 ( 0.915 -0.841 0.031) 1.243 3.152 ( -1.176 0.072 -0.332) 1.224 3.364 ( 0.104 -1.586 1.021) 1.889 3.377 ( -3.926 -2.900 -0.488) 4.905 3.519 ( -2.057 -2.933 0.374) 3.602 3.572 ( -0.949 -4.137 -0.522) 4.277======================= Grid point 248 (97/231) =======================q-point: (-0.23 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( -0.023 0.054 0.039) 0.071 1.258 ( -0.998 0.119 0.065) 1.007 1.476 ( -0.612 -0.083 0.194) 0.648 1.512 ( 1.378 -0.212 -0.281) 1.422 1.856 ( -4.023 0.420 -0.079) 4.046 1.908 ( -0.684 -0.302 -0.017) 0.748 2.084 ( 0.965 0.058 -0.096) 0.971 2.609 ( -2.709 0.343 -0.100) 2.733 2.652 ( -5.582 -11.759 -0.285) 13.020 2.659 ( -5.142 11.315 0.666) 12.446 2.707 ( 1.467 0.138 0.131) 1.479 2.816 ( -0.323 0.260 -0.166) 0.447 2.858 ( 6.625 -0.245 0.174) 6.632 2.947 ( -3.050 -1.018 0.678) 3.286 3.081 ( -0.989 0.822 -1.005) 1.632 3.152 ( 1.904 0.276 -0.140) 1.929 3.161 ( 1.143 -0.103 -0.340) 1.197 3.334 ( -0.392 0.069 0.844) 0.933 3.388 ( 5.121 -0.875 -0.232) 5.201 3.511 ( 2.694 -0.027 0.109) 2.696 3.584 ( 4.608 0.734 -0.231) 4.672======================= Grid point 249 (98/231) =======================q-point: (-0.15 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.204 ( -1.746 -2.341 -0.815) 3.032 1.259 ( 0.603 0.994 1.084) 1.590 1.463 ( -0.269 -1.314 0.144) 1.349 1.513 ( 0.115 -3.839 -0.954) 3.957 1.763 ( -4.883 -2.013 0.322) 5.292 1.845 ( -5.020 0.031 -0.055) 5.021 2.115 ( 1.186 1.638 -0.202) 2.033 2.426 ( -3.811 -11.761 -0.296) 12.367 2.580 ( -0.388 -1.493 -0.047) 1.543 2.686 ( -4.199 9.183 0.878) 10.135 2.744 ( -0.326 4.036 -0.322) 4.062 2.804 ( 0.869 -3.332 -0.180) 3.448 2.882 ( 1.356 -5.847 0.035) 6.002 2.936 ( 1.741 1.186 0.320) 2.131 3.109 ( 2.282 -0.100 -0.164) 2.290 3.136 ( -1.160 0.468 -1.135) 1.689 3.213 ( 1.837 2.748 -1.884) 3.805 3.329 ( 1.164 -2.251 2.967) 3.902 3.457 ( 6.541 -6.687 -0.939) 9.401 3.589 ( 4.229 1.702 0.088) 4.560 3.771 ( 6.831 12.496 0.501) 14.249======================= Grid point 250 (99/231) =======================q-point: (-0.08 0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( -0.304 -3.854 0.321) 3.879 1.264 ( -1.753 1.079 -0.592) 2.142 1.394 ( -3.498 -9.442 -1.173) 10.138 1.436 ( -2.315 -2.938 1.019) 3.878 1.672 ( -2.115 -1.716 0.196) 2.731 1.798 ( -1.890 3.321 0.130) 3.823 2.135 ( -1.356 0.980 -0.250) 1.692 2.303 ( 1.670 -6.651 -0.462) 6.873 2.561 ( -0.791 0.198 -1.005) 1.294 2.699 ( 0.044 -0.932 -0.278) 0.973 2.742 ( -3.142 3.035 0.481) 4.395 2.786 ( 1.365 -3.186 -1.172) 3.659 2.902 ( 3.909 -1.563 1.706) 4.543 2.972 ( 2.004 0.447 -0.081) 2.054 3.106 ( -0.278 0.112 -0.466) 0.554 3.163 ( 1.342 0.318 -1.484) 2.026 3.249 ( 0.539 0.293 -2.644) 2.714 3.361 ( 4.142 -1.822 4.057) 6.077 3.489 ( 6.080 -7.503 -0.745) 9.686 3.697 ( 4.091 4.040 0.588) 5.780 4.016 ( 5.648 11.507 0.360) 12.824======================= Grid point 257 (100/231) =======================q-point: ( 0.46 0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 0.000 -0.451 3.873) 3.899 1.162 ( 0.000 -0.638 2.084) 2.180 1.272 ( -0.000 -0.795 -3.035) 3.138 1.283 ( -0.000 -0.134 -2.752) 2.755 1.664 ( 0.000 -3.684 2.437) 4.417 1.824 ( -0.000 1.407 -3.970) 4.213 2.105 ( 0.000 2.736 0.076) 2.737 2.307 ( -0.000 -3.900 0.220) 3.906 2.590 ( -0.000 -4.042 -0.480) 4.070 2.610 ( -0.000 -7.796 -0.994) 7.860 2.752 ( -0.000 -0.084 -0.086) 0.120 2.752 ( -0.000 -1.210 0.155) 1.220 2.913 ( 0.000 -3.632 1.147) 3.809 2.993 ( 0.000 3.408 0.376) 3.429 3.125 ( -0.000 2.979 -1.705) 3.433 3.174 ( 0.000 3.901 1.411) 4.148 3.247 ( -0.000 -1.506 -3.551) 3.857 3.349 ( 0.000 -5.498 2.957) 6.242 3.485 ( -0.000 -5.946 -0.241) 5.951 3.790 ( 0.000 -0.932 0.317) 0.984 4.241 ( 0.000 0.042 0.332) 0.335======================= Grid point 258 (101/231) =======================q-point: ( 0.54 0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( 2.507 -0.709 3.336) 4.233 1.204 ( 2.802 -1.280 -2.486) 3.958 1.302 ( 5.181 -0.370 -1.508) 5.408 1.319 ( 6.076 0.040 0.060) 6.077 1.635 ( 0.901 -3.515 2.145) 4.215 1.816 ( 0.039 0.569 -3.520) 3.566 2.141 ( 1.332 1.686 -0.255) 2.164 2.250 ( -1.932 -2.775 0.435) 3.409 2.536 ( 0.321 -4.851 0.557) 4.894 2.587 ( 4.588 -5.366 -1.805) 7.287 2.682 ( -0.056 -2.566 -0.466) 2.609 2.827 ( 4.425 -0.817 1.500) 4.744 2.910 ( -1.565 2.625 1.654) 3.475 3.024 ( -0.222 2.284 0.028) 2.295 3.087 ( -4.501 2.053 -2.059) 5.358 3.222 ( -1.526 -0.155 -2.137) 2.630 3.238 ( 0.038 2.246 -0.010) 2.246 3.314 ( 1.632 -3.183 1.832) 4.019 3.419 ( -0.837 -5.291 0.382) 5.371 3.754 ( -3.201 -0.503 0.393) 3.264 4.176 ( -7.121 -0.124 0.401) 7.134======================= Grid point 259 (102/231) =======================q-point: ( 0.62 0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.159 ( 3.652 -1.557 0.560) 4.009 1.216 ( 0.910 0.211 -0.681) 1.156 1.412 ( 5.690 0.831 -2.007) 6.091 1.453 ( 6.072 -1.251 1.526) 6.384 1.654 ( 4.284 -0.793 0.955) 4.460 1.858 ( 3.376 2.327 -1.427) 4.342 2.158 ( -2.848 0.891 -0.195) 2.990 2.234 ( 5.983 -2.116 0.094) 6.347 2.511 ( 1.183 -2.109 0.613) 2.494 2.654 ( 6.949 -1.340 -1.337) 7.202 2.703 ( 4.140 -1.463 -0.185) 4.395 2.873 ( -1.199 2.064 0.331) 2.410 2.904 ( -0.743 -0.221 2.326) 2.452 3.017 ( -4.648 0.654 -1.739) 5.005 3.031 ( -0.122 0.276 0.311) 0.433 3.179 ( -2.903 1.471 -1.975) 3.807 3.223 ( -1.810 -0.516 0.961) 2.113 3.313 ( -0.640 -1.280 -0.390) 1.483 3.375 ( 1.934 -4.190 0.571) 4.650 3.672 ( -5.398 -0.279 0.305) 5.414 3.995 ( -12.669 -0.091 0.536) 12.681======================= Grid point 260 (103/231) =======================q-point: (-0.31 -0.54 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.209 ( 2.611 -0.112 0.380) 2.641 1.239 ( 1.191 0.067 -0.100) 1.197 1.483 ( 1.064 -0.411 -0.291) 1.177 1.492 ( 1.207 0.540 -0.354) 1.369 1.766 ( 6.986 0.053 0.579) 7.010 1.920 ( 1.032 -0.006 -0.550) 1.169 2.105 ( -2.624 0.105 0.206) 2.634 2.413 ( 13.906 0.041 -0.442) 13.913 2.545 ( 3.578 -0.103 0.829) 3.675 2.749 ( 0.162 0.481 -0.119) 0.522 2.770 ( 3.252 0.094 -0.028) 3.253 2.855 ( -1.527 1.930 -0.312) 2.481 2.864 ( -2.938 -3.444 -0.125) 4.528 2.936 ( -1.044 0.032 -1.673) 1.972 3.034 ( -0.629 0.793 1.936) 2.184 3.161 ( -1.035 2.097 -1.335) 2.693 3.177 ( -2.011 -1.510 1.667) 3.017 3.313 ( 2.100 -0.075 -0.573) 2.178 3.375 ( 0.508 -0.224 -0.459) 0.721 3.569 ( -5.402 -0.089 0.069) 5.403 3.746 ( -14.339 -0.037 0.630) 14.353======================= Grid point 261 (104/231) =======================q-point: (-0.23 -0.54 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.229 ( 0.215 0.009 -0.271) 0.346 1.259 ( 0.499 -0.583 0.096) 0.773 1.480 ( 0.120 -0.514 -0.481) 0.714 1.506 ( -0.946 0.696 0.654) 1.344 1.854 ( 2.875 -3.155 0.197) 4.273 1.908 ( -0.287 -0.858 0.015) 0.905 2.082 ( -0.271 0.774 0.176) 0.839 2.608 ( 1.951 -2.254 0.193) 2.987 2.653 ( -6.894 -10.706 -0.481) 12.743 2.665 ( 10.036 2.175 -0.519) 10.282 2.708 ( 1.184 0.230 0.069) 1.208 2.815 ( 0.189 0.403 -0.132) 0.464 2.859 ( -3.862 5.862 0.004) 7.019 2.961 ( -1.223 -3.851 -1.719) 4.391 3.060 ( 2.954 0.172 2.487) 3.865 3.149 ( 0.175 1.712 0.258) 1.741 3.156 ( -0.767 -0.108 0.407) 0.875 3.349 ( 0.010 0.697 -1.567) 1.715 3.383 ( -4.139 3.138 0.555) 5.223 3.514 ( -1.705 2.549 -0.363) 3.088 3.579 ( -0.754 4.626 0.598) 4.725======================= Grid point 262 (105/231) =======================q-point: (-0.15 0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.216 ( -2.301 -3.759 0.034) 4.407 1.249 ( 1.033 1.619 0.203) 1.931 1.469 ( -1.139 -0.887 -0.124) 1.449 1.474 ( -1.159 -3.241 -0.252) 3.451 1.799 ( -2.698 -4.645 0.477) 5.393 1.889 ( -1.582 -2.824 -0.449) 3.268 2.112 ( 1.532 2.564 0.071) 2.987 2.395 ( -6.436 -11.173 -0.172) 12.896 2.580 ( -1.199 -2.013 0.341) 2.368 2.743 ( 0.221 -0.122 -0.064) 0.260 2.776 ( -1.809 -3.210 0.229) 3.692 2.829 ( -2.181 -4.138 -0.457) 4.700 2.861 ( 0.879 3.696 -0.086) 3.800 2.896 ( 3.157 4.926 -0.161) 5.853 3.089 ( 0.914 1.126 0.415) 1.509 3.134 ( -0.483 -1.543 -0.234) 1.634 3.222 ( 2.339 3.758 0.419) 4.446 3.293 ( -1.868 -2.968 -0.040) 3.507 3.344 ( -0.553 -0.542 -0.512) 0.929 3.573 ( 2.892 5.053 0.049) 5.822 3.774 ( 7.309 12.680 0.300) 14.639======================= Grid point 263 (106/231) =======================q-point: (-0.08 0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( -2.284 -5.656 0.796) 6.151 1.290 ( 0.571 2.128 -1.617) 2.733 1.362 ( -4.296 -8.711 -0.484) 9.725 1.432 ( -1.041 -3.109 1.084) 3.453 1.698 ( -3.347 -3.678 1.074) 5.088 1.814 ( -0.836 -2.968 -1.522) 3.438 2.169 ( 0.194 3.026 -0.257) 3.043 2.230 ( -1.319 -6.084 0.087) 6.226 2.552 ( -0.073 -1.253 0.015) 1.255 2.621 ( -1.515 -10.298 -0.581) 10.425 2.710 ( -0.940 -3.791 -0.301) 3.917 2.872 ( -0.340 5.025 -0.186) 5.040 2.886 ( -0.049 3.105 2.095) 3.746 2.972 ( 0.810 2.437 -0.145) 2.572 3.112 ( -0.367 -0.259 -0.192) 0.488 3.140 ( 1.554 2.273 -1.454) 3.114 3.258 ( 1.531 -2.218 -1.044) 2.890 3.293 ( 0.491 1.515 0.026) 1.592 3.343 ( 3.411 -2.535 1.644) 4.557 3.683 ( 3.094 4.973 0.122) 5.858 4.026 ( 6.227 11.147 0.142) 12.770======================= Grid point 271 (107/231) =======================q-point: ( 0.54 0.54 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 0.000 -0.964 1.495) 1.778 1.142 ( -0.000 -1.120 -1.269) 1.693 1.252 ( -0.000 -0.285 -1.934) 1.955 1.258 ( 0.000 0.213 0.576) 0.615 1.593 ( 0.000 -3.117 2.120) 3.770 1.805 ( -0.000 0.003 -3.492) 3.492 2.143 ( 0.000 0.940 -0.253) 0.973 2.256 ( 0.000 -1.257 0.773) 1.476 2.481 ( -0.000 -3.693 0.635) 3.747 2.487 ( -0.000 -3.081 -2.014) 3.681 2.690 ( 0.000 -2.192 0.601) 2.273 2.744 ( 0.000 -0.368 1.826) 1.863 2.961 ( 0.000 2.075 0.444) 2.122 3.051 ( 0.000 1.636 0.274) 1.659 3.154 ( -0.000 2.194 -3.825) 4.410 3.236 ( 0.000 1.445 -0.107) 1.449 3.256 ( 0.000 -4.030 2.184) 4.583 3.274 ( -0.000 3.384 -1.090) 3.556 3.387 ( -0.000 -3.797 0.706) 3.862 3.780 ( 0.000 -0.256 0.395) 0.471 4.239 ( 0.000 -0.181 0.551) 0.580======================= Grid point 272 (108/231) =======================q-point: (-0.38 -0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( 2.217 -1.413 -2.918) 3.928 1.197 ( 3.804 0.974 2.202) 4.501 1.281 ( 5.329 0.345 -3.684) 6.487 1.336 ( 5.874 0.312 3.599) 6.896 1.591 ( 1.901 -0.674 0.990) 2.247 1.821 ( 1.512 1.433 -1.259) 2.433 2.158 ( 1.473 0.112 -0.334) 1.515 2.224 ( -2.553 -0.379 0.358) 2.606 2.477 ( 1.350 -0.303 0.675) 1.539 2.519 ( 5.456 0.321 -2.081) 5.848 2.656 ( -0.067 0.092 0.719) 0.728 2.809 ( 4.680 -0.613 1.603) 4.985 2.956 ( -1.798 -0.264 0.203) 1.829 3.050 ( -1.042 0.111 0.239) 1.075 3.115 ( -4.769 1.099 -1.520) 5.125 3.212 ( -0.751 -0.473 0.037) 0.888 3.270 ( -1.896 1.226 -0.878) 2.423 3.299 ( 2.682 -0.498 -0.179) 2.734 3.342 ( -1.842 -0.858 0.361) 2.064 3.750 ( -3.204 -0.079 0.362) 3.225 4.175 ( -7.058 -0.035 0.722) 7.095======================= Grid point 273 (109/231) =======================q-point: (-0.31 -0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 4.573 0.535 -1.971) 5.009 1.240 ( -0.342 1.154 3.139) 3.362 1.426 ( 6.632 0.798 -2.237) 7.045 1.429 ( 5.493 -0.696 0.100) 5.538 1.653 ( 4.771 0.321 0.707) 4.833 1.865 ( 2.382 -1.547 -0.375) 2.865 2.162 ( -3.134 -0.764 0.504) 3.264 2.233 ( 6.512 2.215 -0.128) 6.880 2.513 ( 1.415 2.027 0.952) 2.649 2.658 ( 7.109 2.203 -0.603) 7.467 2.709 ( 4.139 1.890 0.792) 4.619 2.863 ( 1.077 -0.940 -1.231) 1.887 2.883 ( -3.639 -3.187 -0.971) 4.934 3.009 ( -3.808 -0.903 -1.618) 4.235 3.056 ( -0.964 0.975 2.933) 3.238 3.198 ( -1.599 0.592 0.128) 1.710 3.217 ( -2.970 -0.438 1.047) 3.180 3.312 ( -0.807 0.510 -0.592) 1.123 3.363 ( 2.416 4.260 -1.447) 5.107 3.671 ( -5.435 0.105 0.174) 5.438 3.997 ( -12.685 -0.019 0.812) 12.711======================= Grid point 274 (110/231) =======================q-point: (-0.23 -0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.224 ( 2.128 -0.527 -0.466) 2.241 1.233 ( 0.188 0.906 0.504) 1.054 1.466 ( 1.223 -0.119 -0.267) 1.258 1.530 ( 1.252 1.810 -0.181) 2.208 1.744 ( 5.379 -2.499 0.829) 5.989 1.858 ( 1.820 -5.270 -0.748) 5.625 2.111 ( -1.984 0.352 0.482) 2.072 2.439 ( 12.565 2.371 -0.512) 12.797 2.569 ( 1.878 1.849 0.673) 2.720 2.672 ( -5.270 -7.484 -0.025) 9.153 2.741 ( -3.340 -3.348 0.425) 4.748 2.803 ( 2.480 2.121 0.080) 3.264 2.918 ( 2.588 2.841 -2.454) 4.560 2.948 ( -2.414 0.648 -0.995) 2.690 3.083 ( 0.592 2.109 2.084) 3.024 3.152 ( -2.782 -0.599 1.117) 3.057 3.178 ( -1.555 0.208 2.107) 2.627 3.342 ( 1.967 2.804 -2.633) 4.320 3.471 ( 1.174 7.198 -0.020) 7.293 3.594 ( -2.237 3.868 -0.324) 4.481 3.748 ( -14.127 -0.129 0.795) 14.150======================= Grid point 275 (111/231) =======================q-point: (-0.15 -0.46 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( -0.678 -2.603 0.234) 2.700 1.263 ( 0.008 0.794 -0.374) 0.878 1.464 ( -1.106 -1.028 -0.238) 1.528 1.508 ( -3.231 -1.667 0.591) 3.684 1.763 ( 1.001 -5.138 0.213) 5.239 1.846 ( 2.092 -4.256 -0.370) 4.757 2.113 ( 0.906 1.837 0.318) 2.073 2.425 ( -8.361 -9.230 -0.037) 12.454 2.579 ( -0.902 -1.351 0.354) 1.662 2.690 ( 9.825 0.731 -0.623) 9.872 2.742 ( 3.630 2.034 0.411) 4.181 2.802 ( -3.329 -1.310 0.418) 3.602 2.885 ( -5.547 -1.497 -1.089) 5.847 2.939 ( 0.012 2.010 -0.688) 2.125 3.105 ( -0.902 2.847 1.348) 3.277 3.130 ( 0.187 -1.754 0.736) 1.912 3.202 ( 2.598 2.617 1.933) 4.164 3.346 ( -3.275 0.333 -2.883) 4.375 3.453 ( -8.886 2.416 0.578) 9.227 3.590 ( -0.539 4.571 -0.154) 4.606 3.772 ( 7.414 12.203 0.014) 14.279======================= Grid point 285 (112/231) =======================q-point: (-0.38 -0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( -0.000 -0.984 -5.160) 5.253 1.124 ( -0.000 0.499 -3.599) 3.634 1.280 ( 0.000 0.851 3.475) 3.578 1.295 ( 0.000 2.155 4.691) 5.162 1.580 ( 0.000 1.695 -0.143) 1.701 1.833 ( 0.000 2.722 1.240) 2.991 2.141 ( -0.000 -0.986 -0.629) 1.170 2.249 ( -0.000 0.795 -0.313) 0.855 2.481 ( -0.000 3.448 -2.945) 4.535 2.481 ( 0.000 3.487 0.587) 3.536 2.680 ( -0.000 1.512 -0.876) 1.747 2.756 ( 0.000 0.362 3.608) 3.626 2.959 ( -0.000 -2.432 0.110) 2.434 3.053 ( 0.000 -1.607 0.673) 1.742 3.185 ( 0.000 -0.632 0.557) 0.843 3.225 ( -0.000 2.733 -1.907) 3.333 3.225 ( -0.000 -2.078 -2.031) 2.905 3.290 ( 0.000 -2.291 1.220) 2.595 3.379 ( 0.000 3.752 -0.588) 3.798 3.780 ( 0.000 0.117 0.437) 0.453 4.241 ( 0.000 0.083 0.870) 0.874======================= Grid point 286 (113/231) =======================q-point: (-0.31 -0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 3.515 1.117 -3.510) 5.091 1.217 ( 8.007 0.550 -1.071) 8.097 1.303 ( 0.965 0.918 1.612) 2.091 1.344 ( 3.819 -0.514 2.053) 4.366 1.619 ( 1.383 2.824 -0.747) 3.232 1.849 ( -1.052 -0.064 1.998) 2.259 2.141 ( 1.754 -1.714 -0.193) 2.460 2.246 ( -1.748 3.203 -0.268) 3.659 2.531 ( 0.677 4.769 -0.272) 4.825 2.590 ( 5.126 6.338 -1.020) 8.215 2.692 ( 0.440 3.142 0.784) 3.268 2.816 ( 3.479 0.509 0.017) 3.516 2.899 ( -2.429 -3.892 -0.230) 4.594 3.024 ( -0.855 -2.692 0.057) 2.825 3.106 ( -3.749 -1.409 1.166) 4.171 3.229 ( 0.060 -0.594 -0.648) 0.881 3.255 ( -1.569 -0.462 2.631) 3.098 3.285 ( 2.519 2.187 -3.085) 4.544 3.413 ( -0.936 5.894 -0.677) 6.006 3.754 ( -3.272 0.373 0.401) 3.318 4.179 ( -7.136 -0.055 0.894) 7.192======================= Grid point 287 (114/231) =======================q-point: (-0.23 -0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.161 ( 4.738 1.612 -1.415) 5.201 1.251 ( -1.421 -1.571 1.555) 2.628 1.417 ( 5.008 -0.530 0.460) 5.057 1.438 ( 9.048 0.523 -1.960) 9.273 1.668 ( 1.614 0.890 -0.004) 1.843 1.792 ( -1.871 -5.170 0.371) 5.510 2.138 ( -0.542 -1.520 0.193) 1.625 2.312 ( 5.109 4.719 0.041) 6.955 2.575 ( 0.319 2.062 0.006) 2.087 2.688 ( -1.119 -0.630 0.920) 1.579 2.738 ( -1.934 -6.533 -0.427) 6.827 2.785 ( 2.352 3.293 1.446) 4.297 2.920 ( 1.227 4.206 -3.364) 5.524 2.984 ( -1.175 1.676 -0.459) 2.097 3.079 ( 0.163 0.587 2.426) 2.501 3.194 ( -1.162 -1.308 -0.739) 1.899 3.248 ( -2.688 3.413 4.256) 6.081 3.340 ( 1.350 3.577 -3.829) 5.411 3.502 ( 3.186 8.152 0.037) 8.752 3.684 ( -4.679 1.434 0.071) 4.895 3.996 ( -12.714 -0.414 0.736) 12.742======================= Grid point 288 (115/231) =======================q-point: (-0.15 -0.38 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.194 ( -0.741 -1.984 1.148) 2.409 1.249 ( 1.818 0.170 -1.679) 2.481 1.463 ( 1.121 -1.042 -0.176) 1.541 1.531 ( -0.353 -3.021 0.498) 3.082 1.683 ( 1.943 -3.034 1.392) 3.863 1.741 ( 3.322 -3.886 -2.104) 5.528 2.120 ( -0.158 0.126 0.342) 0.397 2.458 ( 0.860 -2.590 -0.651) 2.806 2.533 ( 1.013 -3.835 0.555) 4.005 2.616 ( -0.692 2.291 0.714) 2.497 2.691 ( 2.161 -1.922 -0.729) 2.983 2.860 ( -1.425 2.404 0.967) 2.957 2.946 ( 0.334 1.131 -0.104) 1.184 2.976 ( -3.578 2.065 -0.318) 4.144 3.089 ( 1.572 -1.260 -0.215) 2.026 3.182 ( -3.144 4.167 0.064) 5.220 3.237 ( -2.772 3.285 5.276) 6.805 3.389 ( -0.358 2.724 -4.712) 5.455 3.592 ( -2.745 5.647 0.025) 6.279 3.720 ( -3.390 1.199 1.114) 3.765 3.784 ( -2.053 8.782 -0.650) 9.043======================= Grid point 299 (116/231) =======================q-point: (-0.31 -0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( -0.000 2.176 -2.426) 3.259 1.134 ( -0.000 1.342 -2.503) 2.840 1.306 ( 0.000 0.197 2.558) 2.565 1.307 ( 0.000 -2.465 1.408) 2.839 1.641 ( -0.000 3.568 -1.481) 3.863 1.863 ( 0.000 -2.232 2.583) 3.413 2.100 ( -0.000 -2.585 -0.666) 2.670 2.309 ( 0.000 4.687 0.564) 4.721 2.591 ( 0.000 3.709 -0.314) 3.722 2.601 ( 0.000 8.687 -2.270) 8.978 2.743 ( -0.000 2.505 -1.251) 2.800 2.767 ( 0.000 -1.096 2.180) 2.440 2.904 ( 0.000 3.363 -0.285) 3.375 2.998 ( 0.000 -3.877 1.469) 4.146 3.146 ( 0.000 -3.516 1.793) 3.947 3.151 ( -0.000 -3.388 -2.430) 4.169 3.288 ( 0.000 2.286 3.220) 3.949 3.310 ( -0.000 5.497 -3.426) 6.477 3.485 ( 0.000 6.510 -0.431) 6.524 3.791 ( 0.000 0.912 0.670) 1.131 4.244 ( 0.000 -0.303 0.846) 0.899======================= Grid point 300 (117/231) =======================q-point: (-0.23 -0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.102 ( 3.461 2.419 -0.152) 4.226 1.215 ( 5.364 -0.952 -0.422) 5.464 1.274 ( 2.330 -2.985 -1.591) 4.108 1.343 ( 3.815 -1.009 0.947) 4.058 1.672 ( 0.225 1.962 -1.178) 2.300 1.796 ( -3.058 -5.476 1.083) 6.365 2.091 ( 2.077 -2.953 -0.297) 3.622 2.339 ( -1.073 3.881 0.711) 4.089 2.573 ( -0.516 -5.151 -1.263) 5.329 2.689 ( -0.298 1.679 -1.032) 1.993 2.731 ( -1.835 -1.923 0.944) 2.821 2.783 ( 2.288 4.440 1.056) 5.105 2.934 ( -1.024 -0.638 -1.249) 1.737 3.041 ( 0.525 8.541 0.454) 8.569 3.102 ( -0.641 1.031 1.636) 2.037 3.163 ( 3.823 1.373 -1.283) 4.260 3.325 ( -0.500 3.793 3.832) 5.415 3.356 ( 0.015 4.717 -3.618) 5.944 3.556 ( 0.178 7.942 0.088) 7.944 3.776 ( -3.263 1.945 0.683) 3.860 4.173 ( -7.279 -0.876 0.640) 7.359======================= Grid point 301 (118/231) =======================q-point: (-0.15 -0.31 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.173 ( 0.866 -2.941 0.911) 3.198 1.204 ( 2.446 -0.275 -2.018) 3.183 1.381 ( 5.558 -3.364 0.274) 6.503 1.418 ( 7.082 -2.637 -0.663) 7.586 1.673 ( -2.142 -5.935 -0.295) 6.316 1.681 ( -0.602 -0.001 0.239) 0.648 2.098 ( 1.727 -2.694 0.002) 3.200 2.384 ( 4.008 0.261 0.135) 4.019 2.487 ( -1.187 -7.967 -0.794) 8.094 2.632 ( 0.197 -4.367 -1.626) 4.664 2.684 ( -3.909 1.443 0.781) 4.239 2.880 ( 2.464 3.839 1.333) 4.753 2.965 ( 0.842 4.015 0.808) 4.181 3.047 ( -2.946 1.135 -0.824) 3.263 3.070 ( -0.922 -1.366 1.094) 1.978 3.313 ( -2.836 9.183 3.208) 10.133 3.359 ( -2.195 8.708 1.210) 9.061 3.402 ( 1.209 3.565 -4.503) 5.869 3.681 ( 3.417 8.753 0.587) 9.415 3.740 ( -2.458 3.941 0.213) 4.650 3.987 ( -11.393 -0.369 0.101) 11.399======================= Grid point 313 (119/231) =======================q-point: (-0.23 -0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( 0.000 2.199 2.982) 3.705 1.148 ( 0.000 0.229 0.093) 0.247 1.213 ( -0.000 -5.759 -3.456) 6.716 1.285 ( -0.000 -3.226 -0.309) 3.240 1.679 ( -0.000 -0.663 -0.477) 0.817 1.760 ( -0.000 -7.054 -0.600) 7.080 2.034 ( -0.000 -3.686 -0.265) 3.696 2.356 ( -0.000 -5.191 0.782) 5.250 2.501 ( -0.000 -5.662 -0.950) 5.741 2.684 ( -0.000 -7.040 -1.877) 7.286 2.791 ( 0.000 7.234 0.141) 7.235 2.808 ( 0.000 5.602 1.117) 5.712 2.932 ( -0.000 -0.131 -0.462) 0.480 3.082 ( 0.000 -1.230 2.131) 2.461 3.115 ( 0.000 0.572 0.863) 1.036 3.215 ( 0.000 19.595 -2.322) 19.732 3.364 ( 0.000 3.524 -0.694) 3.592 3.413 ( 0.000 4.371 1.950) 4.786 3.646 ( 0.000 9.414 -0.367) 9.421 3.836 ( 0.000 3.580 1.334) 3.820 4.229 ( 0.000 -1.399 0.436) 1.466======================= Grid point 314 (120/231) =======================q-point: (-0.15 -0.23 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 0.826 -7.402 -0.828) 7.494 1.164 ( 2.001 1.076 0.702) 2.378 1.231 ( 6.433 -1.399 0.802) 6.632 1.278 ( 4.298 -5.540 -1.279) 7.128 1.631 ( -1.168 -7.677 0.191) 7.767 1.680 ( -0.601 -4.394 -1.283) 4.617 2.016 ( 2.409 -4.290 -0.182) 4.923 2.271 ( 2.142 -11.451 0.193) 11.651 2.460 ( -1.103 -1.266 -0.889) 1.900 2.573 ( -0.885 -9.049 -2.560) 9.446 2.782 ( -4.295 3.092 0.536) 5.319 2.889 ( 1.079 4.067 0.904) 4.304 2.992 ( 1.915 6.798 0.703) 7.097 3.081 ( -0.960 0.939 1.314) 1.879 3.117 ( -1.590 2.711 0.799) 3.243 3.401 ( 0.985 2.613 -2.609) 3.821 3.422 ( -0.917 2.265 2.611) 3.576 3.485 ( 4.197 17.990 -0.505) 18.480 3.740 ( -1.020 10.374 0.241) 10.427 3.856 ( -3.184 5.740 1.035) 6.645 4.146 ( -7.167 -1.833 0.086) 7.398======================= Grid point 327 (121/231) =======================q-point: (-0.15 -0.15 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.995 ( -0.000 -11.373 -2.664) 11.681 1.133 ( 0.000 -2.243 1.968) 2.984 1.151 ( -0.000 -9.543 -2.345) 9.827 1.189 ( 0.000 1.923 3.594) 4.076 1.550 ( -0.000 -10.218 -0.326) 10.223 1.603 ( -0.000 -10.578 -1.571) 10.694 1.948 ( -0.000 -4.451 -0.260) 4.458 2.125 ( -0.000 -11.251 0.482) 11.262 2.457 ( -0.000 -12.651 -3.104) 13.026 2.459 ( -0.000 -1.263 -1.330) 1.834 2.859 ( 0.000 2.557 0.200) 2.565 2.933 ( 0.000 5.556 0.653) 5.594 3.062 ( 0.000 8.240 1.990) 8.477 3.118 ( 0.000 4.153 2.483) 4.839 3.163 ( 0.000 3.735 -0.403) 3.757 3.399 ( -0.000 0.293 -4.103) 4.114 3.451 ( 0.000 1.340 4.496) 4.691 3.588 ( 0.000 11.127 0.639) 11.145 3.896 ( 0.000 15.793 -3.165) 16.107 3.956 ( 0.000 6.890 2.806) 7.439 4.192 ( -0.000 -1.818 0.114) 1.822======================= Grid point 370 (122/231) =======================q-point: ( 0.15 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.178 ( 0.000 0.000 14.526) 14.526 0.178 ( 0.000 0.000 14.526) 14.526 0.192 ( 0.000 0.000 27.448) 27.448 0.934 ( -0.000 -0.000 -4.199) 4.199 0.934 ( -0.000 -0.000 -4.199) 4.199 1.329 ( -0.000 -0.000 -2.600) 2.600 1.729 ( 0.000 0.000 6.913) 6.913 1.729 ( 0.000 0.000 6.913) 6.913 2.025 ( 0.000 0.000 7.289) 7.289 2.025 ( 0.000 0.000 7.289) 7.289 2.596 ( 0.000 0.000 1.615) 1.615 3.056 ( -0.000 -0.000 -2.136) 2.136 3.056 ( -0.000 -0.000 -2.136) 2.136 3.205 ( -0.000 -0.000 -4.795) 4.795 3.205 ( -0.000 -0.000 -4.795) 4.795 3.425 ( 0.000 0.000 0.734) 0.734 3.429 ( 0.000 0.000 0.137) 0.137 3.429 ( 0.000 0.000 0.137) 0.137 4.162 ( -0.000 -0.000 -7.054) 7.054 4.375 ( 0.000 0.000 0.174) 0.174 4.683 ( 0.000 0.000 0.602) 0.602======================= Grid point 371 (123/231) =======================q-point: ( 0.23 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.412 ( 12.384 7.150 14.828) 20.600 0.485 ( 16.639 9.607 4.196) 19.666 0.676 ( 22.983 13.269 5.980) 27.204 0.977 ( 3.652 2.109 -3.423) 5.431 1.036 ( 8.151 4.706 -5.038) 10.676 1.310 ( 1.014 0.586 -3.589) 3.775 1.785 ( 2.924 1.688 4.209) 5.396 1.883 ( 2.703 1.561 -1.046) 3.292 2.090 ( 4.470 2.581 10.106) 11.348 2.470 ( -0.475 -0.274 3.272) 3.317 3.013 ( -2.919 -1.685 -2.486) 4.188 3.058 ( -0.553 -0.319 -1.305) 1.453 3.192 ( -0.671 -0.388 -5.034) 5.093 3.221 ( 13.747 7.937 -23.350) 28.235 3.239 ( 3.521 2.033 -4.628) 6.160 3.384 ( -3.552 -2.051 0.105) 4.103 3.402 ( 0.691 0.399 -0.244) 0.834 3.596 ( 13.743 7.934 -9.335) 18.411 3.999 ( -8.171 -4.718 2.944) 9.884 4.312 ( -5.130 -2.962 -0.027) 5.924 4.566 ( -7.744 -4.471 1.256) 9.030======================= Grid point 372 (124/231) =======================q-point: ( 0.31 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.730 ( 11.585 6.689 8.592) 15.899 0.854 ( 13.211 7.628 0.807) 15.277 1.079 ( 4.826 2.786 -1.261) 5.713 1.156 ( 12.805 7.393 -0.251) 14.788 1.231 ( 9.788 5.651 -3.163) 11.736 1.406 ( 8.556 4.940 1.135) 9.945 1.860 ( 3.044 1.758 0.690) 3.582 1.966 ( 4.719 2.724 -0.779) 5.504 2.274 ( 8.823 5.094 10.634) 14.726 2.445 ( -1.095 -0.632 1.850) 2.241 2.924 ( -3.718 -2.146 -1.963) 4.721 3.015 ( -2.772 -1.600 -1.243) 3.434 3.157 ( -1.467 -0.847 -5.840) 6.081 3.230 ( -3.749 -2.164 -1.338) 4.531 3.264 ( -6.380 -3.683 1.090) 7.447 3.306 ( 1.647 0.951 -3.264) 3.778 3.474 ( 3.771 2.177 -2.059) 4.817 3.799 ( -6.596 -3.808 1.998) 7.875 3.885 ( 6.394 3.692 -6.601) 9.904 4.127 ( -10.061 -5.809 -1.061) 11.666 4.360 ( -8.634 -4.985 1.204) 10.042======================= Grid point 373 (125/231) =======================q-point: ( 0.38 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( 7.719 4.456 2.945) 9.387 1.099 ( 7.397 4.271 -1.693) 8.707 1.175 ( 2.765 1.596 1.431) 3.499 1.264 ( 1.213 0.700 1.364) 1.955 1.505 ( 10.401 6.005 -1.648) 12.122 1.628 ( 6.389 3.689 1.701) 7.571 1.941 ( 3.703 2.138 -0.198) 4.281 2.133 ( 9.812 5.665 -0.082) 11.330 2.447 ( 1.114 0.643 0.762) 1.495 2.511 ( 8.834 5.100 6.842) 12.283 2.852 ( -1.873 -1.082 -1.018) 2.391 2.925 ( -4.548 -2.626 -1.245) 5.397 3.052 ( -7.240 -4.180 -2.655) 8.771 3.131 ( -3.627 -2.094 0.037) 4.188 3.149 ( -1.939 -1.120 -0.476) 2.289 3.303 ( -1.245 -0.719 -3.526) 3.808 3.534 ( -3.312 -1.912 2.537) 4.589 3.551 ( -9.414 -5.435 -3.067) 11.295 3.835 ( -9.994 -5.770 0.097) 11.541 3.970 ( -3.076 -1.776 -3.267) 4.826 4.232 ( -1.284 -0.742 1.476) 2.093======================= Grid point 374 (126/231) =======================q-point: ( 0.46 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 5.059 2.921 -1.329) 5.991 1.177 ( -0.977 -0.564 1.212) 1.656 1.238 ( 3.202 1.848 -1.601) 4.029 1.243 ( -3.378 -1.950 3.633) 5.331 1.683 ( 0.245 0.142 0.986) 1.026 1.725 ( 6.992 4.037 -0.829) 8.116 2.026 ( 3.260 1.882 0.050) 3.765 2.355 ( 4.926 2.844 -0.648) 5.725 2.499 ( 4.050 2.338 1.338) 4.864 2.689 ( 4.817 2.781 2.139) 5.959 2.758 ( -7.348 -4.242 -1.223) 8.572 2.803 ( -5.033 -2.906 -0.888) 5.879 2.954 ( 1.504 0.868 1.158) 2.087 3.081 ( -1.862 -1.075 -1.738) 2.765 3.129 ( 0.080 0.046 -0.454) 0.464 3.179 ( -12.691 -7.327 1.255) 14.708 3.242 ( -3.117 -1.799 -3.177) 4.801 3.526 ( -2.973 -1.716 0.418) 3.458 3.614 ( -8.214 -4.743 0.334) 9.491 3.869 ( -3.541 -2.044 -1.566) 4.378 4.247 ( 1.082 0.625 0.439) 1.324======================= Grid point 375 (127/231) =======================q-point: ( 0.54 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.121 ( -3.222 -1.860 2.393) 4.424 1.132 ( -5.576 -3.220 5.926) 8.751 1.227 ( 4.096 2.365 -5.101) 6.956 1.293 ( 1.821 1.051 -2.715) 3.433 1.655 ( -1.719 -0.992 2.560) 3.239 1.829 ( 0.441 0.255 -3.598) 3.634 2.091 ( 2.062 1.190 0.574) 2.449 2.319 ( -4.207 -2.429 -0.159) 4.860 2.545 ( -8.063 -4.655 0.939) 9.358 2.575 ( -1.284 -0.742 0.088) 1.486 2.717 ( -1.917 -1.107 1.010) 2.434 2.792 ( 2.825 1.631 -1.045) 3.425 2.935 ( -1.407 -0.813 0.639) 1.746 3.028 ( 3.204 1.850 -1.638) 4.046 3.138 ( -1.454 -0.840 -2.547) 3.050 3.152 ( 1.465 0.846 2.789) 3.262 3.177 ( 0.964 0.556 0.239) 1.138 3.397 ( -6.009 -3.469 0.053) 6.939 3.476 ( -4.142 -2.391 0.598) 4.820 3.813 ( -1.207 -0.697 -0.795) 1.604 4.265 ( 0.363 0.209 -0.452) 0.616======================= Grid point 376 (128/231) =======================q-point: ( 0.62 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.016 ( -4.293 -2.478 4.779) 6.885 1.062 ( -1.677 -0.968 2.913) 3.498 1.309 ( 3.363 1.942 -4.394) 5.864 1.321 ( 0.986 0.569 -2.593) 2.832 1.631 ( -1.204 -0.695 1.153) 1.806 1.758 ( -2.282 -1.317 -1.745) 3.160 2.125 ( 0.673 0.388 0.897) 1.187 2.264 ( -0.806 -0.466 0.354) 0.996 2.409 ( -3.138 -1.811 2.435) 4.365 2.507 ( -2.273 -1.312 -0.958) 2.793 2.687 ( -1.083 -0.625 0.562) 1.371 2.831 ( 0.855 0.494 -3.016) 3.173 2.970 ( 1.347 0.778 0.225) 1.571 3.081 ( 1.513 0.874 -2.796) 3.298 3.093 ( -0.035 -0.020 0.272) 0.275 3.185 ( 0.306 0.177 4.120) 4.135 3.221 ( 0.554 0.320 1.540) 1.668 3.308 ( -0.923 -0.533 -0.881) 1.382 3.396 ( -2.580 -1.490 0.133) 2.983 3.796 ( -0.270 -0.156 -0.641) 0.713 4.266 ( -0.013 -0.007 -1.060) 1.060======================= Grid point 377 (129/231) =======================q-point: (-0.31 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( 0.585 0.338 2.088) 2.195 1.061 ( 1.120 0.647 2.797) 3.082 1.331 ( 0.251 0.145 -1.885) 1.907 1.355 ( 0.370 0.214 -1.494) 1.553 1.592 ( -0.286 -0.165 -1.217) 1.261 1.822 ( 5.378 3.105 2.264) 6.610 2.125 ( -0.803 -0.463 0.924) 1.309 2.251 ( 0.102 0.059 -0.432) 0.448 2.418 ( 3.493 2.017 3.090) 5.080 2.502 ( 2.216 1.279 -1.365) 2.900 2.674 ( 0.480 0.277 -0.252) 0.609 2.828 ( -0.557 -0.321 -3.264) 3.327 2.963 ( -2.109 -1.217 -0.210) 2.444 3.086 ( -0.681 -0.393 -3.475) 3.563 3.138 ( 2.934 1.694 3.516) 4.883 3.170 ( -2.165 -1.250 4.181) 4.871 3.219 ( -0.289 -0.167 0.679) 0.756 3.305 ( -0.326 -0.188 -0.698) 0.793 3.380 ( 2.120 1.224 -0.783) 2.570 3.794 ( 0.182 0.105 -0.852) 0.878 4.263 ( -0.050 -0.029 -1.267) 1.268======================= Grid point 378 (130/231) =======================q-point: (-0.23 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( 3.891 2.246 -1.167) 4.642 1.110 ( 2.203 1.272 1.452) 2.929 1.310 ( -3.825 -2.208 1.063) 4.543 1.324 ( -0.772 -0.446 -0.555) 1.050 1.630 ( 2.735 1.579 0.374) 3.181 1.877 ( -2.329 -1.344 0.093) 2.690 2.092 ( -2.034 -1.174 0.683) 2.446 2.316 ( 4.835 2.792 -0.549) 5.610 2.571 ( 8.252 4.764 2.689) 9.900 2.584 ( 2.193 1.266 0.728) 2.635 2.727 ( 3.076 1.776 1.429) 3.829 2.789 ( -2.498 -1.442 -1.406) 3.209 2.907 ( 1.964 1.134 -0.896) 2.438 3.024 ( -4.171 -2.408 -2.702) 5.523 3.124 ( -1.379 -0.796 1.904) 2.482 3.161 ( -2.724 -1.573 -0.669) 3.215 3.252 ( 3.722 2.149 5.152) 6.709 3.340 ( 3.941 2.275 -4.380) 6.316 3.476 ( 5.511 3.181 0.951) 6.434 3.804 ( 0.963 0.556 -1.386) 1.777 4.256 ( -0.492 -0.284 -1.102) 1.240======================= Grid point 379 (131/231) =======================q-point: (-0.15 0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( 2.954 1.706 -5.021) 6.070 1.150 ( 0.709 0.409 -0.519) 0.969 1.192 ( -5.951 -3.436 3.795) 7.850 1.281 ( -3.284 -1.896 1.097) 3.948 1.677 ( -0.027 -0.016 0.262) 0.264 1.755 ( -6.878 -3.971 1.345) 8.055 2.032 ( -3.116 -1.799 0.377) 3.617 2.359 ( -4.942 -2.853 -0.414) 5.721 2.496 ( -4.518 -2.608 0.746) 5.270 2.675 ( -6.533 -3.772 1.185) 7.636 2.789 ( 6.789 3.919 0.658) 7.866 2.812 ( 4.951 2.858 -0.535) 5.742 2.931 ( -0.644 -0.372 -0.227) 0.778 3.094 ( -1.133 -0.654 -2.084) 2.461 3.120 ( 0.860 0.497 -0.907) 1.345 3.198 ( 16.886 9.749 3.314) 19.778 3.348 ( 3.160 1.824 4.163) 5.535 3.436 ( 4.028 2.326 -5.342) 7.083 3.641 ( 8.183 4.724 1.400) 9.552 3.846 ( 3.240 1.870 -2.189) 4.334 4.232 ( -1.374 -0.794 -0.608) 1.700======================= Grid point 384 (132/231) =======================q-point: ( 0.23 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.468 ( 0.000 14.495 18.775) 23.719 0.538 ( 0.000 19.418 5.953) 20.310 0.647 ( 0.000 26.201 4.337) 26.557 0.949 ( -0.000 3.332 -4.753) 5.805 1.042 ( -0.000 10.082 -4.414) 11.006 1.292 ( -0.000 0.315 -4.887) 4.897 1.789 ( 0.000 3.078 3.893) 4.963 1.877 ( -0.000 2.974 -1.033) 3.148 2.110 ( 0.000 5.192 11.396) 12.523 2.479 ( 0.000 -0.163 3.400) 3.404 3.015 ( -0.000 -3.068 -1.971) 3.647 3.058 ( -0.000 0.519 -1.659) 1.738 3.128 ( -0.000 17.685 -23.603) 29.493 3.161 ( -0.000 -1.794 -6.431) 6.676 3.254 ( -0.000 5.504 -4.857) 7.341 3.389 ( 0.000 -1.191 0.359) 1.244 3.400 ( -0.000 -3.231 0.363) 3.251 3.562 ( -0.000 10.804 -5.000) 11.905 4.047 ( -0.000 -3.631 0.069) 3.632 4.321 ( -0.000 -4.941 0.797) 5.005 4.560 ( -0.000 -10.196 -0.616) 10.215======================= Grid point 385 (133/231) =======================q-point: ( 0.31 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( 5.138 13.018 13.536) 19.470 0.819 ( 6.580 16.944 3.578) 18.526 1.026 ( 10.595 13.244 -1.022) 16.992 1.038 ( 5.887 7.191 -2.416) 9.602 1.174 ( 3.871 9.603 -3.509) 10.932 1.334 ( 4.173 4.347 -1.429) 6.193 1.844 ( 1.678 2.964 1.249) 3.628 1.935 ( 2.557 3.897 -0.844) 4.737 2.240 ( 4.358 7.426 12.009) 14.777 2.462 ( -1.204 -1.186 2.038) 2.647 2.945 ( -2.865 -3.922 -2.127) 5.302 3.029 ( -1.621 -2.182 -1.098) 2.932 3.131 ( 0.606 -2.530 -6.044) 6.580 3.232 ( 0.687 -2.154 -4.651) 5.172 3.290 ( -1.350 0.660 -1.680) 2.254 3.338 ( -2.063 0.200 -0.334) 2.100 3.418 ( 3.310 0.975 -2.499) 4.260 3.734 ( 8.311 4.301 -3.507) 9.993 3.961 ( -6.850 1.524 -0.508) 7.036 4.205 ( -6.253 -7.309 0.178) 9.620 4.389 ( -4.530 -12.138 -1.530) 13.046======================= Grid point 386 (134/231) =======================q-point: ( 0.38 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.925 ( 5.283 8.706 7.915) 12.897 1.070 ( 4.823 10.713 -0.239) 11.751 1.176 ( 3.310 6.640 -0.252) 7.423 1.226 ( 4.168 1.664 -1.505) 4.734 1.401 ( 8.441 8.976 -1.320) 12.392 1.532 ( 8.658 6.122 1.441) 10.701 1.918 ( 2.638 3.927 0.067) 4.731 2.057 ( 5.880 6.562 -0.394) 8.820 2.436 ( 6.118 5.449 7.193) 10.902 2.441 ( 0.387 0.540 2.483) 2.570 2.846 ( -2.254 -4.640 -1.621) 5.408 2.963 ( -2.636 -2.583 -0.774) 3.770 3.099 ( -0.705 -2.268 -6.145) 6.588 3.157 ( -3.218 -4.324 0.672) 5.432 3.182 ( -5.197 -4.327 0.725) 6.801 3.332 ( -2.042 1.912 -2.167) 3.539 3.489 ( 3.821 -0.144 -2.052) 4.340 3.744 ( -10.410 -2.319 1.421) 10.760 3.916 ( -2.856 -1.419 -1.655) 3.592 3.976 ( -5.312 -6.818 -2.071) 8.887 4.203 ( -1.749 -9.654 -0.051) 9.812======================= Grid point 387 (135/231) =======================q-point: ( 0.46 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.077 ( 3.287 4.761 2.109) 6.157 1.215 ( 1.008 5.759 -1.757) 6.105 1.258 ( -0.547 5.292 1.717) 5.590 1.278 ( 0.068 1.613 1.570) 2.252 1.621 ( 7.907 5.371 -0.952) 9.606 1.667 ( 3.081 -0.150 0.995) 3.241 2.010 ( 2.373 4.410 0.007) 5.008 2.272 ( 8.237 6.873 -0.195) 10.729 2.458 ( 1.880 -0.010 1.220) 2.241 2.609 ( 5.972 2.113 4.039) 7.513 2.770 ( -0.848 -4.757 -1.184) 4.975 2.892 ( -3.870 -0.555 -0.703) 3.972 2.989 ( -5.757 -1.305 -0.980) 5.984 3.074 ( -1.653 -3.699 -0.476) 4.079 3.106 ( 0.803 -1.950 -1.018) 2.341 3.290 ( -3.206 0.125 -1.889) 3.723 3.423 ( -18.275 -4.847 -0.361) 18.910 3.524 ( 0.800 -1.967 -0.254) 2.138 3.719 ( -8.802 -4.707 0.605) 10.000 3.884 ( -2.947 -5.123 -2.450) 6.398 4.166 ( 4.709 -5.986 0.647) 7.644======================= Grid point 388 (136/231) =======================q-point: ( 0.54 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.159 ( 1.042 0.727 1.819) 2.219 1.197 ( -2.706 1.496 -1.691) 3.524 1.264 ( -5.353 4.186 2.651) 7.294 1.323 ( -0.319 6.389 -1.443) 6.557 1.672 ( -0.370 -1.089 1.733) 2.080 1.783 ( 4.715 1.652 -1.547) 5.230 2.084 ( 1.425 3.257 0.268) 3.565 2.337 ( -2.526 -3.532 -0.423) 4.363 2.546 ( 4.548 1.052 1.010) 4.776 2.674 ( -3.924 -0.339 0.474) 3.967 2.731 ( -0.628 -0.185 -0.424) 0.780 2.776 ( -1.993 -0.063 -0.563) 2.072 2.966 ( 1.178 -0.685 1.193) 1.811 3.023 ( -3.693 -2.538 0.361) 4.495 3.091 ( -1.664 -1.869 -3.227) 4.083 3.160 ( -1.365 0.925 1.436) 2.187 3.227 ( -3.257 0.651 -0.561) 3.368 3.462 ( -4.733 -3.882 -0.218) 6.125 3.533 ( -6.435 -3.146 0.474) 7.178 3.800 ( -0.469 -4.068 -1.142) 4.252 4.191 ( 4.454 -5.963 -0.198) 7.445======================= Grid point 389 (137/231) =======================q-point: ( 0.62 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.094 ( -5.287 0.102 3.691) 6.449 1.206 ( -7.168 6.577 3.499) 10.338 1.239 ( 3.262 1.121 -4.659) 5.797 1.364 ( -1.440 5.344 -1.460) 5.724 1.656 ( -1.226 0.466 1.733) 2.173 1.790 ( -2.596 -1.396 -2.579) 3.916 2.130 ( 0.467 2.321 0.386) 2.399 2.253 ( -0.815 -3.045 0.393) 3.176 2.532 ( -8.712 1.652 1.157) 8.942 2.550 ( -2.995 -0.676 -0.366) 3.092 2.684 ( -1.070 -0.816 0.109) 1.350 2.849 ( 1.380 2.940 -0.485) 3.284 2.940 ( 1.104 -0.027 0.205) 1.123 3.024 ( 3.057 -2.012 0.363) 3.678 3.076 ( 0.613 -1.076 -2.450) 2.745 3.179 ( 1.605 -0.629 1.415) 2.230 3.227 ( -0.151 2.224 0.848) 2.385 3.333 ( -3.577 -2.293 -0.068) 4.250 3.421 ( -3.410 -3.150 0.519) 4.671 3.769 ( 1.091 -3.267 -0.667) 3.509 4.199 ( 3.700 -6.143 -0.985) 7.239======================= Grid point 390 (138/231) =======================q-point: (-0.31 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( -3.651 2.627 2.837) 5.318 1.175 ( -5.897 9.140 3.484) 11.421 1.299 ( 3.357 0.267 -4.224) 5.402 1.376 ( -2.006 3.040 -0.677) 3.705 1.621 ( -2.734 0.690 -1.987) 3.449 1.781 ( 2.146 2.985 2.615) 4.511 2.149 ( -0.829 1.859 0.546) 2.107 2.232 ( 0.638 -2.463 -0.348) 2.568 2.461 ( -2.861 5.466 2.685) 6.729 2.507 ( -1.133 1.622 -1.469) 2.464 2.667 ( -0.200 -0.010 -0.514) 0.552 2.857 ( -2.054 2.052 -2.913) 4.112 2.960 ( 0.548 -2.143 -0.114) 2.215 3.044 ( 2.025 -2.701 1.699) 3.780 3.097 ( 2.108 -0.087 -1.242) 2.448 3.199 ( -0.611 -0.916 1.748) 2.066 3.237 ( 1.682 1.135 2.460) 3.189 3.300 ( -0.895 -0.096 -0.242) 0.932 3.352 ( -0.139 -2.440 -0.613) 2.520 3.761 ( 1.612 -2.931 -0.727) 3.424 4.197 ( 3.508 -6.158 -1.378) 7.220======================= Grid point 391 (139/231) =======================q-point: (-0.23 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( -0.089 4.776 1.343) 4.962 1.193 ( -3.965 9.574 2.246) 10.604 1.326 ( -0.093 -1.873 -1.222) 2.238 1.359 ( -1.948 2.638 -0.922) 3.407 1.617 ( 0.654 2.471 -0.344) 2.579 1.858 ( 1.922 -0.917 0.529) 2.194 2.137 ( -2.607 1.107 0.542) 2.884 2.244 ( 3.717 0.124 0.076) 3.720 2.531 ( 2.722 4.149 -0.263) 4.969 2.571 ( 3.529 7.777 1.946) 8.759 2.692 ( 2.049 2.246 0.646) 3.108 2.829 ( -2.243 0.479 -1.841) 2.941 2.905 ( -1.754 -3.782 -1.107) 4.313 3.025 ( -0.837 -3.769 0.001) 3.861 3.113 ( 0.552 -1.738 -0.278) 1.845 3.214 ( 1.201 -0.592 2.377) 2.728 3.247 ( -2.689 3.176 2.622) 4.919 3.290 ( 2.227 -0.091 -2.889) 3.649 3.405 ( 5.598 1.933 0.532) 5.946 3.762 ( 2.072 -2.764 -1.011) 3.599 4.192 ( 3.362 -6.328 -1.313) 7.285======================= Grid point 392 (140/231) =======================q-point: (-0.15 0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 1.293 4.448 -1.084) 4.757 1.214 ( -3.509 4.433 0.031) 5.654 1.264 ( -4.155 0.271 1.985) 4.613 1.347 ( -3.171 2.457 -0.465) 4.038 1.666 ( 1.576 1.247 0.893) 2.199 1.800 ( -3.537 -5.512 -0.378) 6.560 2.089 ( -3.587 0.425 0.431) 3.637 2.342 ( 4.138 0.835 -0.432) 4.244 2.565 ( -4.327 -3.082 1.464) 5.510 2.683 ( 1.065 0.553 1.054) 1.597 2.736 ( -0.667 -2.200 -0.802) 2.435 2.787 ( 2.935 4.661 -0.326) 5.518 2.930 ( 0.395 -1.527 0.028) 1.578 3.041 ( 7.754 5.180 0.530) 9.340 3.111 ( 0.481 -0.399 -1.480) 1.606 3.156 ( -0.997 3.702 1.096) 3.987 3.324 ( 3.050 2.833 4.289) 5.977 3.359 ( 4.896 1.019 -4.617) 6.806 3.554 ( 6.839 4.477 0.617) 8.197 3.782 ( 3.449 -1.979 -1.336) 4.195 4.177 ( 2.736 -6.854 -0.853) 7.429======================= Grid point 398 (141/231) =======================q-point: ( 0.31 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( 0.000 13.814 15.159) 20.509 0.925 ( 0.000 15.597 2.932) 15.871 1.022 ( -0.000 4.847 -3.317) 5.873 1.084 ( -0.000 9.788 -5.044) 11.011 1.263 ( 0.000 14.212 -2.296) 14.397 1.371 ( 0.000 10.915 0.438) 10.923 1.865 ( 0.000 3.562 0.484) 3.595 1.956 ( 0.000 5.282 -0.463) 5.303 2.316 ( 0.000 9.712 11.833) 15.308 2.465 ( 0.000 -0.913 0.815) 1.224 2.931 ( -0.000 -4.108 -0.869) 4.199 3.016 ( -0.000 -3.566 -1.428) 3.841 3.088 ( -0.000 -2.735 -6.992) 7.508 3.183 ( -0.000 -2.954 -2.600) 3.936 3.302 ( -0.000 -6.280 0.322) 6.288 3.366 ( 0.000 5.824 0.082) 5.824 3.387 ( -0.000 0.697 -3.627) 3.694 3.681 ( -0.000 0.660 -0.255) 0.707 4.033 ( -0.000 0.236 -1.172) 1.195 4.192 ( -0.000 -7.604 -0.471) 7.618 4.278 ( -0.000 -14.475 -2.649) 14.716======================= Grid point 399 (142/231) =======================q-point: ( 0.38 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.994 ( 1.128 10.818 11.045) 15.501 1.101 ( 2.739 6.107 -1.578) 6.876 1.145 ( 7.047 8.710 1.148) 11.262 1.166 ( 4.262 2.425 -3.879) 6.252 1.418 ( 1.780 11.659 -1.999) 11.962 1.528 ( 2.067 11.750 1.717) 12.053 1.921 ( 1.854 4.402 -0.059) 4.777 2.051 ( 3.149 8.220 -0.042) 8.803 2.446 ( -0.094 3.302 2.144) 3.938 2.459 ( 1.078 5.448 6.744) 8.737 2.851 ( -3.593 -4.175 -1.075) 5.612 2.962 ( -0.932 -3.845 -0.751) 4.027 3.049 ( 0.735 -3.201 -5.414) 6.332 3.143 ( -0.515 -4.770 0.601) 4.836 3.208 ( -2.648 -5.595 -0.395) 6.203 3.389 ( -1.003 0.861 -1.863) 2.284 3.422 ( 1.864 1.413 -1.835) 2.973 3.722 ( 5.113 -4.693 1.844) 7.181 3.969 ( -4.324 -7.961 0.040) 9.060 4.014 ( -5.337 -9.114 -4.553) 11.501 4.145 ( -4.075 -5.169 0.145) 6.584======================= Grid point 400 (143/231) =======================q-point: ( 0.46 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.115 ( 0.266 6.371 6.011) 8.763 1.201 ( 4.233 1.395 -1.433) 4.681 1.281 ( 3.799 5.299 -0.226) 6.524 1.324 ( 3.276 6.574 0.529) 7.364 1.562 ( 4.297 6.832 0.376) 8.080 1.633 ( 0.804 3.229 -0.759) 3.413 2.017 ( 2.718 5.015 0.004) 5.704 2.233 ( 5.810 9.958 0.294) 11.533 2.443 ( -0.092 0.313 0.200) 0.382 2.576 ( 2.229 4.625 5.047) 7.199 2.743 ( -2.566 -4.400 -0.883) 5.170 2.916 ( -0.451 -1.804 -0.474) 1.919 3.018 ( -0.319 -3.433 -4.542) 5.702 3.079 ( -1.053 -2.858 1.208) 3.277 3.098 ( -4.072 -3.745 -0.140) 5.534 3.344 ( -3.285 -0.962 -0.974) 3.558 3.464 ( 2.503 -1.184 -1.793) 3.299 3.619 ( -9.643 -11.649 -0.513) 15.131 3.804 ( -2.035 -4.315 0.808) 4.839 3.877 ( -3.245 -6.734 -1.949) 7.725 4.028 ( -1.806 -5.018 0.622) 5.369======================= Grid point 401 (144/231) =======================q-point: ( 0.54 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.166 ( -0.200 2.551 2.539) 3.605 1.245 ( -0.036 0.366 -0.780) 0.863 1.388 ( 0.261 6.523 -0.301) 6.535 1.405 ( -1.469 7.017 0.935) 7.230 1.648 ( 1.503 -0.975 -0.219) 1.805 1.711 ( 5.165 3.162 0.616) 6.087 2.095 ( 1.277 2.866 0.032) 3.138 2.378 ( -2.422 3.927 -0.292) 4.624 2.476 ( 5.172 1.694 1.392) 5.618 2.656 ( 2.825 1.559 1.445) 3.535 2.685 ( 1.300 -3.128 -0.519) 3.427 2.872 ( -4.733 -0.980 -1.526) 5.069 2.975 ( 1.048 -1.152 -1.838) 2.409 3.000 ( -3.260 -1.881 0.894) 3.868 3.074 ( 1.503 -0.626 -0.456) 1.691 3.266 ( -2.839 -2.690 -0.710) 3.975 3.299 ( -11.071 -6.853 -0.673) 13.038 3.477 ( -0.829 -2.032 0.592) 2.273 3.666 ( -9.471 -1.407 -0.144) 9.576 3.762 ( -2.173 -5.232 -0.821) 5.725 4.000 ( 6.147 -9.846 0.264) 11.611======================= Grid point 402 (145/231) =======================q-point: ( 0.62 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( -1.252 0.708 2.704) 3.063 1.230 ( -1.727 2.191 -2.785) 3.942 1.391 ( -4.883 5.820 0.691) 7.629 1.454 ( -1.628 5.363 0.954) 5.685 1.677 ( 0.822 1.660 0.297) 1.876 1.795 ( 1.585 1.102 -0.541) 2.005 2.133 ( 1.501 0.429 -0.058) 1.562 2.301 ( -6.528 2.062 0.208) 6.849 2.551 ( 0.365 0.112 0.170) 0.418 2.690 ( -1.536 0.643 -0.684) 1.800 2.749 ( -0.683 2.010 0.380) 2.156 2.768 ( 2.071 -0.565 -0.949) 2.348 2.936 ( -1.714 -2.497 2.088) 3.678 2.980 ( 0.393 -1.643 0.877) 1.903 3.075 ( -1.148 1.248 -2.729) 3.213 3.152 ( -0.641 -2.074 0.314) 2.193 3.226 ( 1.308 -1.347 -0.424) 1.924 3.395 ( -5.542 -2.152 0.201) 5.949 3.490 ( -7.757 -1.320 0.692) 7.899 3.697 ( 1.134 -5.339 -0.484) 5.480 4.012 ( 6.791 -10.822 -0.703) 12.796======================= Grid point 403 (146/231) =======================q-point: ( 0.69 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( -4.408 3.142 1.688) 5.670 1.243 ( 1.844 0.640 -3.037) 3.610 1.375 ( -4.271 7.175 1.887) 8.561 1.456 ( -2.790 2.636 1.039) 3.976 1.685 ( -2.445 3.022 -2.138) 4.437 1.823 ( -0.855 4.555 2.166) 5.115 2.161 ( 2.186 -1.406 -0.494) 2.646 2.234 ( -4.243 3.664 0.189) 5.609 2.534 ( -1.446 0.540 -1.654) 2.263 2.627 ( -6.437 6.176 1.226) 9.005 2.705 ( -2.563 2.664 -0.286) 3.708 2.873 ( 3.565 -1.291 0.177) 3.796 2.916 ( 0.701 -2.014 1.132) 2.414 2.984 ( 1.950 -2.229 1.355) 3.257 3.067 ( 0.200 0.599 -3.219) 3.280 3.152 ( 2.868 -2.061 1.349) 3.781 3.238 ( -0.677 -0.375 -0.925) 1.206 3.301 ( -0.799 -1.785 0.761) 2.099 3.371 ( -4.234 -1.318 1.081) 4.564 3.679 ( 2.561 -5.054 -0.453) 5.684 4.014 ( 6.368 -11.016 -1.313) 12.792======================= Grid point 404 (147/231) =======================q-point: (-0.23 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.123 ( -2.518 5.091 1.257) 5.817 1.276 ( 1.991 -1.167 -2.872) 3.684 1.393 ( -3.683 8.851 2.907) 10.018 1.430 ( -2.564 2.453 0.309) 3.561 1.668 ( -2.821 4.214 -1.809) 5.384 1.851 ( -1.276 1.659 1.985) 2.885 2.168 ( 0.816 -3.189 -0.372) 3.313 2.231 ( -1.448 6.778 0.141) 6.933 2.531 ( 0.454 2.007 -1.915) 2.811 2.644 ( -1.120 9.059 1.697) 9.285 2.714 ( -0.315 4.429 -0.012) 4.440 2.858 ( -1.513 -1.550 -0.610) 2.250 2.877 ( -1.133 -5.547 0.353) 5.673 2.989 ( 1.161 -3.367 1.678) 3.937 3.086 ( 1.153 0.126 -2.286) 2.564 3.182 ( 1.705 -1.087 2.239) 3.017 3.243 ( 1.621 -1.024 -2.497) 3.148 3.303 ( 0.048 -1.521 0.879) 1.757 3.345 ( 2.691 4.424 1.640) 5.432 3.675 ( 2.847 -4.875 -0.578) 5.675 4.011 ( 6.257 -11.086 -1.411) 12.808======================= Grid point 405 (148/231) =======================q-point: (-0.15 0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.154 ( -0.697 5.214 0.904) 5.338 1.258 ( -1.290 -2.617 -1.017) 3.090 1.418 ( -4.106 6.108 0.208) 7.363 1.428 ( -2.505 6.372 1.271) 6.964 1.669 ( -0.532 2.123 -0.175) 2.195 1.794 ( -3.202 -4.530 -0.283) 5.554 2.139 ( -1.163 -1.144 -0.013) 1.631 2.311 ( 1.628 6.701 0.235) 6.900 2.574 ( 1.049 1.116 0.356) 1.572 2.694 ( 0.026 -1.176 -0.905) 1.484 2.737 ( -4.466 -4.623 0.092) 6.429 2.792 ( 1.658 3.518 -0.970) 4.008 2.904 ( 3.471 3.531 2.441) 5.521 2.981 ( 2.339 -0.124 0.725) 2.452 3.091 ( 0.302 -0.028 -1.944) 1.967 3.188 ( -0.192 -1.450 1.233) 1.913 3.275 ( 4.021 -0.356 -4.919) 6.364 3.317 ( 1.946 2.665 4.222) 5.358 3.501 ( 5.824 7.168 0.283) 9.240 3.686 ( 3.620 -3.557 -0.411) 5.092 4.002 ( 5.867 -11.329 -1.040) 12.800======================= Grid point 412 (149/231) =======================q-point: ( 0.38 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( 0.000 2.984 3.222) 4.392 1.102 ( -0.000 3.783 -1.569) 4.095 1.152 ( 0.000 5.671 3.002) 6.417 1.183 ( 0.000 8.027 1.188) 8.114 1.522 ( 0.000 10.947 -2.245) 11.175 1.641 ( 0.000 9.505 1.478) 9.619 1.946 ( 0.000 4.329 -0.392) 4.346 2.125 ( 0.000 11.686 0.364) 11.692 2.463 ( -0.000 0.728 -0.716) 1.021 2.558 ( 0.000 9.274 7.037) 11.642 2.860 ( -0.000 -2.601 0.180) 2.607 2.912 ( -0.000 -5.780 -1.393) 5.946 3.001 ( -0.000 -3.428 -4.224) 5.440 3.098 ( 0.000 -3.815 1.462) 4.086 3.164 ( -0.000 -6.087 -0.384) 6.099 3.363 ( -0.000 -1.642 -4.978) 5.241 3.450 ( 0.000 1.569 1.231) 1.994 3.589 ( -0.000 -10.977 1.573) 11.089 3.876 ( -0.000 -14.889 -2.425) 15.085 3.946 ( -0.000 -7.493 -1.989) 7.752 4.198 ( 0.000 1.639 0.731) 1.794======================= Grid point 413 (150/231) =======================q-point: ( 0.46 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 3.498 0.041 -0.645) 3.557 1.181 ( 2.320 3.685 2.243) 4.898 1.236 ( 3.512 4.308 2.764) 6.208 1.290 ( 4.487 3.809 0.060) 5.886 1.621 ( -0.094 8.566 -0.776) 8.601 1.691 ( -2.029 3.534 -0.139) 4.077 2.015 ( 2.497 4.395 -0.235) 5.060 2.270 ( 2.080 10.623 0.058) 10.825 2.467 ( -0.775 2.187 0.218) 2.331 2.635 ( -1.382 5.816 3.528) 6.941 2.771 ( -4.310 -3.421 -0.776) 5.557 2.872 ( 1.284 -4.782 -0.424) 4.969 2.970 ( 0.767 -2.565 -1.384) 3.014 3.071 ( -0.432 -2.614 0.220) 2.658 3.105 ( -1.292 -2.363 -0.224) 2.702 3.346 ( 0.789 -2.815 -4.016) 4.967 3.426 ( 0.128 -6.082 -1.128) 6.187 3.503 ( 2.864 -12.655 1.291) 13.039 3.728 ( -0.598 -9.409 0.100) 9.429 3.849 ( -2.677 -5.938 -1.059) 6.599 4.151 ( -7.060 1.503 0.775) 7.260======================= Grid point 414 (151/231) =======================q-point: ( 0.54 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( 2.988 -0.499 0.888) 3.156 1.217 ( -0.062 1.819 1.035) 2.094 1.380 ( 5.617 3.392 0.319) 6.570 1.424 ( 6.555 2.927 -0.262) 7.184 1.658 ( -3.136 2.018 -0.972) 3.854 1.699 ( 1.017 4.233 1.357) 4.560 2.097 ( 1.600 2.593 -0.118) 3.049 2.379 ( 4.628 -0.027 -0.268) 4.636 2.495 ( -1.956 7.225 0.136) 7.486 2.659 ( -0.593 1.068 0.762) 1.440 2.679 ( -3.081 -0.098 0.485) 3.120 2.858 ( 2.373 -4.048 -0.773) 4.756 2.955 ( -0.645 -0.715 -0.258) 0.997 3.027 ( -0.947 -2.397 -1.789) 3.138 3.074 ( -1.353 1.044 0.417) 1.759 3.271 ( -2.639 -6.228 -1.015) 6.840 3.325 ( -2.097 -10.208 -2.858) 10.806 3.455 ( 0.907 -2.555 1.970) 3.351 3.679 ( 4.072 -9.710 -0.102) 10.530 3.737 ( -3.126 -3.387 0.151) 4.612 3.993 ( -11.054 -0.152 0.695) 11.077======================= Grid point 415 (152/231) =======================q-point: ( 0.62 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( -0.667 0.778 1.107) 1.508 1.254 ( 1.244 0.204 -0.583) 1.389 1.468 ( 1.069 0.894 0.299) 1.425 1.522 ( -0.181 3.057 -0.354) 3.082 1.666 ( 2.360 3.388 -0.503) 4.160 1.773 ( 2.652 3.339 1.319) 4.463 2.114 ( -0.202 -0.350 -0.219) 0.460 2.471 ( 0.964 2.273 0.617) 2.545 2.523 ( 1.356 4.510 -0.369) 4.724 2.604 ( -0.755 -2.477 -0.454) 2.629 2.701 ( 1.425 0.980 0.303) 1.756 2.843 ( -1.214 -1.849 -0.728) 2.329 2.949 ( 0.546 0.325 0.220) 0.672 2.979 ( -2.283 -1.490 -0.021) 2.726 3.085 ( 0.897 0.952 -0.581) 1.432 3.177 ( -1.317 -4.644 -1.347) 5.012 3.178 ( -3.828 -3.360 -0.370) 5.107 3.443 ( -0.663 -2.312 1.596) 2.887 3.586 ( -3.399 -5.489 -0.419) 6.470 3.708 ( -1.997 -2.261 -0.194) 3.022 3.794 ( -3.292 -8.150 0.371) 8.798======================= Grid point 416 (153/231) =======================q-point: ( 0.69 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.211 ( -0.082 1.809 1.106) 2.122 1.251 ( -1.465 0.374 -1.381) 2.048 1.467 ( -1.193 1.761 0.130) 2.131 1.513 ( -1.913 -0.115 0.954) 2.141 1.749 ( 0.509 5.337 -1.086) 5.470 1.859 ( 2.148 3.925 0.828) 4.550 2.107 ( 0.955 -1.824 -0.312) 2.083 2.432 ( -8.607 9.639 0.711) 12.942 2.569 ( -1.317 1.790 -0.621) 2.307 2.690 ( 8.122 -0.230 -0.638) 8.150 2.737 ( 4.537 -2.193 -0.158) 5.042 2.796 ( -2.965 1.977 0.037) 3.564 2.919 ( -3.745 0.947 2.455) 4.577 2.952 ( -0.136 -2.191 0.688) 2.301 3.068 ( -0.231 -2.829 -2.136) 3.552 3.122 ( -0.740 1.330 -0.306) 1.552 3.181 ( 3.403 -2.124 -0.601) 4.056 3.373 ( -5.524 -0.288 0.352) 5.542 3.457 ( -6.528 -2.995 0.854) 7.233 3.593 ( -1.158 -4.224 0.195) 4.384 3.761 ( 7.125 -12.343 -1.072) 14.292======================= Grid point 417 (154/231) =======================q-point: (-0.23 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.214 ( -2.291 2.879 -0.347) 3.695 1.240 ( 0.542 -0.062 -0.410) 0.683 1.477 ( -1.611 0.476 0.664) 1.806 1.485 ( 0.245 2.465 0.790) 2.600 1.778 ( -3.180 5.625 -1.421) 6.616 1.908 ( -0.850 1.574 1.326) 2.226 2.108 ( 1.561 -2.292 -0.371) 2.797 2.405 ( -6.664 11.676 0.819) 13.469 2.560 ( -1.724 2.626 -1.603) 3.527 2.747 ( 0.915 0.490 0.280) 1.075 2.770 ( -1.752 3.354 -0.169) 3.788 2.847 ( 1.414 2.247 1.050) 2.856 2.864 ( -3.351 -6.222 0.059) 7.067 2.912 ( 2.367 -2.271 1.942) 3.812 3.063 ( 1.312 0.147 -2.491) 2.819 3.147 ( 1.706 0.947 1.092) 2.237 3.198 ( 1.123 -2.812 -1.944) 3.599 3.302 ( -1.498 1.982 1.061) 2.701 3.365 ( -0.810 0.243 1.249) 1.509 3.570 ( 2.662 -4.906 -0.174) 5.584 3.757 ( 7.175 -12.554 -1.301) 14.518======================= Grid point 418 (155/231) =======================q-point: (-0.15 0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.220 ( -1.283 3.174 0.828) 3.522 1.237 ( 0.431 -1.297 -1.018) 1.704 1.464 ( -0.573 1.011 0.280) 1.196 1.528 ( 0.673 2.635 0.532) 2.771 1.749 ( -4.808 3.211 -0.999) 5.867 1.853 ( -5.539 -1.003 0.762) 5.680 2.113 ( 1.307 -1.548 -0.384) 2.062 2.436 ( -4.084 11.903 0.699) 12.603 2.573 ( 0.578 2.316 -0.721) 2.493 2.673 ( -3.944 -8.770 -0.375) 9.624 2.744 ( -1.129 -4.389 -0.346) 4.545 2.803 ( 0.889 3.291 -0.063) 3.409 2.905 ( 1.187 4.431 2.368) 5.163 2.942 ( 1.799 -1.675 0.945) 2.633 3.093 ( 1.146 1.268 -1.687) 2.402 3.153 ( 0.306 -2.622 0.507) 2.688 3.196 ( 2.328 -1.131 -3.615) 4.446 3.327 ( 0.748 2.644 2.584) 3.772 3.470 ( 5.855 5.247 0.333) 7.869 3.592 ( 4.459 -0.371 0.336) 4.487 3.754 ( 6.868 -12.332 -1.171) 14.164======================= Grid point 426 (156/231) =======================q-point: ( 0.46 0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( 0.000 -0.017 0.415) 0.415 1.157 ( 0.000 1.620 1.027) 1.918 1.267 ( 0.000 1.977 3.001) 3.593 1.271 ( -0.000 1.149 -1.825) 2.157 1.692 ( 0.000 3.948 1.091) 4.096 1.745 ( -0.000 3.467 -2.142) 4.075 2.034 ( 0.000 4.058 -0.231) 4.064 2.342 ( 0.000 4.137 -0.374) 4.154 2.519 ( 0.000 6.699 0.861) 6.754 2.716 ( 0.000 4.192 1.301) 4.389 2.773 ( -0.000 -6.940 -1.649) 7.134 2.788 ( -0.000 -5.024 -0.610) 5.061 2.950 ( 0.000 0.049 1.334) 1.334 3.069 ( 0.000 0.754 0.875) 1.155 3.108 ( 0.000 1.424 0.143) 1.431 3.200 ( -0.000 -17.724 -3.621) 18.090 3.309 ( -0.000 -5.044 -3.910) 6.382 3.454 ( 0.000 -3.339 3.453) 4.804 3.638 ( -0.000 -9.114 -0.507) 9.128 3.828 ( -0.000 -3.208 -0.151) 3.212 4.232 ( 0.000 0.985 0.803) 1.271======================= Grid point 427 (157/231) =======================q-point: ( 0.54 0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( 3.073 -0.159 1.722) 3.526 1.218 ( 2.766 -0.064 -0.350) 2.789 1.297 ( 4.099 0.961 0.941) 4.314 1.320 ( 5.156 0.042 -1.536) 5.380 1.698 ( -0.591 -1.506 1.353) 2.109 1.764 ( -1.734 4.513 -1.800) 5.159 2.091 ( 1.880 3.046 -0.237) 3.587 2.330 ( -0.913 -3.425 -0.064) 3.545 2.580 ( -0.972 4.051 -0.786) 4.239 2.691 ( 0.205 -4.288 -0.788) 4.364 2.727 ( -1.683 2.927 0.456) 3.407 2.764 ( 1.365 -3.210 -0.461) 3.519 2.970 ( 0.348 2.218 1.835) 2.900 3.026 ( -1.581 -4.395 0.198) 4.675 3.066 ( 0.450 -5.837 -2.707) 6.450 3.179 ( 2.638 -0.093 0.409) 2.671 3.263 ( 0.336 -3.440 -3.192) 4.705 3.414 ( 0.015 -4.673 2.961) 5.532 3.548 ( 0.110 -7.613 -0.501) 7.630 3.776 ( -3.050 -1.778 0.422) 3.555 4.175 ( -7.238 0.458 0.771) 7.294======================= Grid point 428 (158/231) =======================q-point: ( 0.62 0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( 3.579 -0.477 1.580) 3.941 1.220 ( 0.211 -0.983 -1.803) 2.065 1.406 ( 5.448 -0.214 -0.851) 5.518 1.461 ( 7.872 0.892 0.435) 7.934 1.675 ( 0.011 -0.267 0.568) 0.628 1.787 ( 0.571 3.788 0.038) 3.831 2.134 ( -0.702 1.373 -0.184) 1.553 2.307 ( 5.246 -4.567 -0.391) 6.966 2.565 ( -0.253 -1.727 -1.065) 2.045 2.681 ( 0.245 -0.243 0.168) 0.384 2.750 ( -2.463 6.611 0.718) 7.091 2.762 ( 2.789 -3.462 -0.840) 4.525 2.963 ( -0.743 -3.576 -0.161) 3.656 2.988 ( -1.957 1.841 0.499) 2.733 3.044 ( 2.754 -2.364 -0.472) 3.660 3.173 ( -2.294 -0.732 -2.120) 3.208 3.222 ( -2.403 -0.864 0.178) 2.560 3.383 ( 1.483 -4.948 1.469) 5.370 3.499 ( 3.010 -7.299 -0.267) 7.900 3.688 ( -4.742 -1.448 0.448) 4.978 3.997 ( -12.650 0.061 0.766) 12.673======================= Grid point 429 (159/231) =======================q-point: ( 0.69 0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.220 ( 0.749 0.750 -0.423) 1.141 1.239 ( 2.071 -1.306 0.658) 2.535 1.468 ( 1.807 0.095 -0.044) 1.810 1.524 ( 0.153 -1.662 -0.818) 1.859 1.740 ( 5.084 2.694 0.469) 5.773 1.864 ( 1.952 4.456 -0.128) 4.867 2.105 ( -1.971 -0.204 -0.027) 1.982 2.440 ( 12.884 -2.484 -0.467) 13.129 2.565 ( 2.240 -1.099 0.170) 2.500 2.681 ( -4.267 6.625 0.841) 7.925 2.736 ( -3.784 3.302 -0.093) 5.023 2.799 ( 2.723 -1.351 -0.347) 3.059 2.940 ( 2.046 -1.993 -0.697) 2.940 2.957 ( -2.166 -0.922 -0.111) 2.356 3.054 ( -1.304 -2.542 -0.066) 2.858 3.123 ( 0.297 0.278 -0.723) 0.829 3.176 ( -2.933 1.479 0.366) 3.305 3.371 ( 2.538 -4.653 0.757) 5.354 3.466 ( 0.337 -6.641 -0.610) 6.677 3.595 ( -2.380 -3.503 -0.117) 4.237 3.749 ( -14.200 -0.163 0.877) 14.228======================= Grid point 430 (160/231) =======================q-point: ( 0.77 0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.238 ( -0.262 -0.806 0.379) 0.929 1.252 ( 0.649 1.344 -0.365) 1.537 1.490 ( 0.347 0.446 0.571) 0.804 1.495 ( -0.647 -0.670 -0.598) 1.107 1.851 ( 2.405 3.718 -0.059) 4.428 1.908 ( 0.069 0.467 -0.000) 0.472 2.080 ( -0.263 -0.549 -0.027) 0.609 2.605 ( 1.675 2.689 -0.034) 3.168 2.659 ( 1.108 4.367 0.050) 4.506 2.681 ( 2.164 3.421 0.909) 4.149 2.697 ( 1.263 0.179 -0.808) 1.510 2.821 ( 0.314 0.390 0.215) 0.545 2.856 ( -4.378 -7.388 -0.144) 8.589 2.996 ( -3.182 1.732 1.868) 4.076 3.016 ( 5.347 2.152 -2.037) 6.113 3.148 ( 0.750 -0.181 0.075) 0.775 3.151 ( -1.023 -0.401 -0.175) 1.112 3.368 ( 0.019 -1.437 0.459) 1.509 3.375 ( -3.283 -3.454 -0.277) 4.773 3.520 ( -1.985 -3.161 0.152) 3.736 3.570 ( -1.566 -3.654 -0.205) 3.981======================= Grid point 431 (161/231) =======================q-point: (-0.15 0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.228 ( -0.092 0.114 0.123) 0.191 1.259 ( -0.856 0.179 0.048) 0.876 1.478 ( -0.573 -0.139 0.357) 0.690 1.510 ( 1.254 -0.380 -0.510) 1.406 1.855 ( -4.081 0.749 -0.149) 4.152 1.908 ( -0.653 -0.546 -0.022) 0.852 2.083 ( 0.897 0.113 -0.162) 0.919 2.609 ( -2.804 0.540 -0.173) 2.861 2.651 ( -5.777 -11.988 0.133) 13.308 2.662 ( -4.153 11.002 0.574) 11.774 2.708 ( 0.617 0.540 0.152) 0.834 2.815 ( 0.014 0.380 -0.119) 0.398 2.859 ( 6.714 -0.383 0.169) 6.727 2.952 ( -2.935 -2.025 1.265) 3.783 3.073 ( -1.071 1.708 -1.881) 2.757 3.151 ( 1.831 0.651 -0.265) 1.961 3.159 ( 0.562 -0.377 -0.438) 0.806 3.340 ( 0.072 0.180 1.399) 1.412 3.386 ( 4.978 -1.584 -0.431) 5.241 3.512 ( 2.840 -0.092 0.236) 2.851 3.582 ( 4.518 1.326 -0.442) 4.730======================= Grid point 440 (162/231) =======================q-point: ( 0.54 0.54 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( 0.000 0.133 3.889) 3.891 1.170 ( 0.000 -1.048 0.600) 1.208 1.258 ( -0.000 -0.371 -1.726) 1.766 1.265 ( -0.000 -1.272 -3.451) 3.678 1.677 ( 0.000 -3.470 2.281) 4.153 1.803 ( -0.000 0.923 -3.304) 3.431 2.104 ( 0.000 2.737 -0.269) 2.750 2.309 ( -0.000 -3.770 0.520) 3.805 2.587 ( -0.000 -3.791 -0.661) 3.848 2.600 ( -0.000 -7.730 -2.519) 8.130 2.750 ( -0.000 -1.044 -0.693) 1.253 2.755 ( 0.000 0.081 1.255) 1.258 2.920 ( 0.000 -3.172 1.325) 3.438 2.996 ( 0.000 3.161 0.924) 3.294 3.117 ( -0.000 2.245 -0.981) 2.450 3.179 ( 0.000 3.800 0.593) 3.846 3.227 ( -0.000 -0.908 -3.386) 3.506 3.364 ( 0.000 -5.791 2.515) 6.314 3.484 ( -0.000 -5.630 -0.299) 5.638 3.792 ( 0.000 -0.919 0.611) 1.104 4.244 ( 0.000 -0.021 0.838) 0.839======================= Grid point 441 (163/231) =======================q-point: ( 0.62 0.54 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.125 ( 2.165 -1.570 1.694) 3.165 1.192 ( 1.991 -0.572 -1.205) 2.397 1.283 ( 5.630 -1.188 -4.222) 7.137 1.329 ( 6.899 0.864 2.398) 7.355 1.648 ( 0.634 -3.479 2.352) 4.247 1.797 ( 0.541 0.308 -3.189) 3.249 2.139 ( 1.282 1.653 -0.442) 2.138 2.253 ( -2.052 -2.566 0.388) 3.308 2.539 ( 0.259 -4.475 0.514) 4.512 2.573 ( 4.815 -5.435 -2.727) 7.756 2.681 ( -0.272 -2.212 0.197) 2.237 2.835 ( 4.019 0.097 1.271) 4.216 2.921 ( -0.896 1.707 1.991) 2.772 3.025 ( -0.395 2.098 0.144) 2.139 3.076 ( -4.341 1.731 -1.852) 5.027 3.210 ( -1.851 0.823 -2.116) 2.929 3.238 ( 0.549 1.570 -0.178) 1.673 3.322 ( 1.137 -3.540 1.237) 3.918 3.421 ( -0.797 -4.999 0.299) 5.071 3.757 ( -3.213 -0.545 0.620) 3.318 4.179 ( -7.126 -0.149 0.942) 7.189======================= Grid point 442 (164/231) =======================q-point: ( 0.69 0.54 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 3.867 -2.267 -0.741) 4.543 1.217 ( 0.752 1.233 1.192) 1.872 1.400 ( 6.629 0.522 -2.303) 7.037 1.459 ( 5.136 -1.185 0.574) 5.302 1.662 ( 4.029 -0.917 1.691) 4.465 1.848 ( 3.900 2.357 -2.054) 4.999 2.158 ( -2.636 0.984 0.073) 2.814 2.235 ( 5.661 -2.018 0.023) 6.010 2.517 ( 1.135 -1.828 1.201) 2.464 2.645 ( 7.429 -1.533 -1.704) 7.775 2.703 ( 3.914 -1.180 0.108) 4.089 2.874 ( -1.903 2.272 0.060) 2.964 2.916 ( -0.684 -0.943 1.465) 1.872 3.004 ( -3.778 0.531 -2.291) 4.450 3.038 ( -0.396 0.753 1.738) 1.935 3.169 ( -3.158 1.710 -1.704) 3.975 3.228 ( -1.300 -0.542 0.903) 1.673 3.310 ( -0.713 -1.506 -0.733) 1.821 3.377 ( 1.635 -4.240 0.051) 4.545 3.674 ( -5.458 -0.323 0.436) 5.485 4.000 ( -12.680 -0.101 1.072) 12.725======================= Grid point 443 (165/231) =======================q-point: (-0.23 -0.46 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.211 ( 3.030 -0.325 0.513) 3.090 1.239 ( 0.576 0.242 0.038) 0.626 1.480 ( 1.130 -0.818 -0.534) 1.494 1.489 ( 1.533 1.051 -0.635) 1.963 1.771 ( 6.781 0.076 1.081) 6.867 1.915 ( 1.330 0.010 -1.016) 1.674 2.106 ( -2.681 0.179 0.339) 2.708 2.409 ( 13.701 0.064 -0.733) 13.721 2.552 ( 3.413 -0.168 1.405) 3.695 2.748 ( 0.068 0.857 -0.224) 0.888 2.770 ( 3.498 0.149 0.020) 3.501 2.852 ( -0.131 2.832 -0.756) 2.934 2.864 ( -3.592 -5.659 -0.044) 6.702 2.924 ( -1.909 0.406 -2.217) 2.953 3.048 ( -0.508 1.179 2.653) 2.947 3.153 ( -0.551 2.125 -1.219) 2.511 3.187 ( -2.485 -1.004 1.860) 3.262 3.308 ( 2.225 -0.180 -0.970) 2.434 3.371 ( 0.555 -0.428 -0.895) 1.136 3.569 ( -5.477 -0.143 0.132) 5.481 3.751 ( -14.389 -0.060 1.100) 14.431======================= Grid point 454 (166/231) =======================q-point: ( 0.62 0.62 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.088 ( -0.000 -3.158 -1.889) 3.680 1.127 ( -0.000 -1.586 -3.593) 3.928 1.250 ( 0.000 1.902 1.105) 2.199 1.268 ( 0.000 0.850 2.681) 2.812 1.607 ( 0.000 -3.588 2.771) 4.533 1.785 ( -0.000 0.708 -3.728) 3.795 2.141 ( -0.000 0.905 -0.652) 1.115 2.260 ( 0.000 -1.305 0.730) 1.495 2.470 ( -0.000 -3.102 -3.737) 4.857 2.486 ( 0.000 -3.517 1.073) 3.677 2.692 ( -0.000 -2.315 0.204) 2.324 2.761 ( 0.000 -0.085 3.871) 3.872 2.964 ( 0.000 1.901 0.633) 2.004 3.054 ( 0.000 1.589 0.677) 1.727 3.132 ( -0.000 1.939 -3.780) 4.248 3.232 ( -0.000 1.106 -1.235) 1.658 3.256 ( -0.000 -0.230 -1.804) 1.819 3.279 ( 0.000 -0.106 2.189) 2.191 3.391 ( -0.000 -3.643 0.629) 3.697 3.783 ( 0.000 -0.300 0.672) 0.736 4.244 ( 0.000 -0.189 1.126) 1.141======================= Grid point 455 (167/231) =======================q-point: (-0.31 -0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 2.796 -1.995 -3.819) 5.136 1.206 ( 7.310 0.263 0.113) 7.315 1.267 ( 1.851 1.833 -0.637) 2.682 1.354 ( 5.271 0.286 2.970) 6.057 1.599 ( 1.848 -1.311 1.733) 2.853 1.811 ( 1.573 2.605 -2.223) 3.768 2.156 ( 1.572 0.188 -0.556) 1.678 2.227 ( -2.519 -0.642 0.531) 2.653 2.482 ( 1.778 -0.512 0.616) 1.950 2.505 ( 5.413 0.549 -2.521) 5.996 2.660 ( -0.006 0.060 0.818) 0.820 2.821 ( 4.134 -0.948 2.799) 5.081 2.958 ( -1.886 -0.490 0.291) 1.970 3.052 ( -1.330 0.139 0.224) 1.356 3.104 ( -3.934 1.884 -2.008) 4.802 3.212 ( -0.878 -0.770 -0.387) 1.230 3.263 ( -1.187 2.054 -1.784) 2.969 3.298 ( 1.878 -0.867 -0.057) 2.070 3.345 ( -1.864 -1.398 0.598) 2.405 3.753 ( -3.241 -0.120 0.641) 3.306 4.181 ( -7.066 -0.055 1.260) 7.178======================= Grid point 456 (168/231) =======================q-point: (-0.23 -0.38 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.131 ( 5.171 0.391 -1.784) 5.484 1.259 ( -1.202 1.284 3.315) 3.752 1.410 ( 8.767 1.292 -3.093) 9.386 1.431 ( 3.715 -1.193 0.106) 3.903 1.659 ( 4.942 0.014 1.363) 5.127 1.860 ( 2.124 -0.930 -1.275) 2.646 2.165 ( -3.182 -0.782 0.485) 3.312 2.232 ( 6.613 2.193 -0.135) 6.968 2.520 ( 1.506 1.740 1.615) 2.812 2.653 ( 7.712 2.955 -1.337) 8.366 2.713 ( 4.042 1.996 0.459) 4.531 2.858 ( 0.512 -1.478 -0.515) 1.646 2.879 ( -4.127 -3.772 -0.466) 5.611 2.999 ( -3.710 -0.779 -1.767) 4.183 3.072 ( -0.697 1.134 2.660) 2.975 3.193 ( -1.669 1.050 -1.599) 2.539 3.228 ( -2.491 -0.105 2.507) 3.536 3.308 ( -1.051 -0.057 -0.862) 1.361 3.354 ( 2.551 4.390 -1.720) 5.361 3.673 ( -5.528 0.039 0.428) 5.545 4.003 ( -12.706 -0.078 1.270) 12.770======================= Grid point 468 (169/231) =======================q-point: (-0.31 -0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( -0.000 -0.813 -4.972) 5.038 1.102 ( -0.000 0.683 -4.036) 4.093 1.300 ( 0.000 0.842 3.508) 3.608 1.320 ( 0.000 1.963 4.268) 4.698 1.582 ( 0.000 0.892 0.538) 1.042 1.836 ( 0.000 4.262 -0.142) 4.264 2.137 ( -0.000 -0.992 -0.948) 1.372 2.248 ( 0.000 0.466 -0.028) 0.467 2.461 ( -0.000 3.711 -3.949) 5.419 2.486 ( 0.000 3.164 1.160) 3.370 2.676 ( -0.000 1.147 -0.637) 1.312 2.780 ( 0.000 0.103 4.629) 4.630 2.960 ( -0.000 -2.559 0.248) 2.571 3.059 ( 0.000 -1.438 1.436) 2.032 3.178 ( -0.000 2.407 -2.857) 3.736 3.211 ( -0.000 -2.312 -2.942) 3.742 3.221 ( 0.000 0.173 0.142) 0.224 3.296 ( 0.000 -1.660 0.941) 1.909 3.377 ( 0.000 3.384 -0.219) 3.391 3.784 ( 0.000 0.095 0.801) 0.806 4.247 ( 0.000 0.028 1.342) 1.343======================= Grid point 469 (170/231) =======================q-point: (-0.23 -0.31 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( 3.936 1.664 -2.628) 5.017 1.206 ( 9.687 0.807 -2.338) 9.998 1.315 ( -0.803 0.393 2.456) 2.614 1.353 ( 3.381 -0.743 1.203) 3.665 1.616 ( 1.610 2.325 -0.149) 2.832 1.857 ( -1.490 0.508 0.731) 1.736 2.140 ( 2.031 -1.713 -0.398) 2.687 2.245 ( -1.721 3.319 -0.177) 3.743 2.530 ( 1.223 4.479 0.064) 4.644 2.582 ( 5.333 6.910 -1.767) 8.906 2.694 ( 0.771 3.196 -0.121) 3.290 2.820 ( 2.398 -0.596 1.323) 2.803 2.900 ( -2.511 -3.850 0.485) 4.622 3.025 ( -1.721 -2.747 0.059) 3.242 3.111 ( -2.840 -0.810 0.586) 3.011 3.224 ( -0.517 -0.456 -1.233) 1.413 3.263 ( 2.525 0.640 -2.052) 3.316 3.275 ( -0.598 1.164 1.628) 2.089 3.409 ( -1.005 6.002 -0.754) 6.132 3.757 ( -3.350 0.354 0.815) 3.465 4.185 ( -7.149 -0.159 1.273) 7.263======================= Grid point 482 (171/231) =======================q-point: (-0.23 -0.23 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( 0.000 3.322 -0.698) 3.394 1.121 ( -0.000 1.941 -2.109) 2.867 1.312 ( -0.000 -3.580 0.304) 3.593 1.318 ( 0.000 -0.340 1.638) 1.673 1.634 ( -0.000 3.386 -0.953) 3.518 1.874 ( 0.000 -2.555 1.253) 2.845 2.096 ( -0.000 -2.464 -0.768) 2.581 2.313 ( 0.000 5.191 0.689) 5.236 2.586 ( -0.000 9.167 -2.794) 9.584 2.588 ( 0.000 3.180 -0.633) 3.242 2.735 ( -0.000 3.206 -1.458) 3.522 2.779 ( 0.000 -2.032 1.987) 2.842 2.904 ( 0.000 2.799 0.318) 2.817 3.009 ( 0.000 -4.211 2.398) 4.846 3.137 ( -0.000 -2.674 -2.456) 3.631 3.155 ( 0.000 -3.427 1.322) 3.673 3.280 ( -0.000 4.269 -4.579) 6.260 3.315 ( 0.000 4.023 4.050) 5.708 3.481 ( 0.000 6.577 -0.851) 6.632 3.796 ( 0.000 0.964 1.197) 1.537 4.249 ( 0.000 -0.446 1.133) 1.217======================= Grid point 553 (172/231) =======================q-point: ( 0.23 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.255 ( 0.000 0.000 12.543) 12.543 0.255 ( 0.000 0.000 12.543) 12.543 0.362 ( 0.000 0.000 31.723) 31.723 0.906 ( -0.000 -0.000 -5.445) 5.445 0.906 ( -0.000 -0.000 -5.445) 5.445 1.305 ( -0.000 -0.000 -5.838) 5.838 1.766 ( 0.000 0.000 5.666) 5.666 1.766 ( 0.000 0.000 5.666) 5.666 2.080 ( 0.000 0.000 12.302) 12.302 2.080 ( 0.000 0.000 12.302) 12.302 2.602 ( 0.000 0.000 0.031) 0.031 3.040 ( -0.000 -0.000 -3.529) 3.529 3.040 ( -0.000 -0.000 -3.529) 3.529 3.174 ( -0.000 -0.000 -5.932) 5.932 3.174 ( -0.000 -0.000 -5.932) 5.932 3.430 ( 0.000 0.000 0.138) 0.138 3.430 ( 0.000 0.000 0.138) 0.138 3.435 ( 0.000 0.000 2.995) 2.995 4.122 ( -0.000 -0.000 -6.410) 6.410 4.380 ( 0.000 0.000 1.536) 1.536 4.676 ( -0.000 -0.000 -3.280) 3.280======================= Grid point 554 (173/231) =======================q-point: ( 0.31 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.513 ( 15.262 8.811 5.627) 18.499 0.515 ( 9.840 5.681 20.593) 23.520 0.714 ( 21.060 12.159 7.536) 25.459 0.954 ( 4.131 2.385 -4.580) 6.612 1.006 ( 8.236 4.755 -5.367) 10.920 1.283 ( 1.807 1.043 -5.892) 6.251 1.805 ( 2.037 1.176 2.839) 3.687 1.877 ( 2.836 1.638 -1.011) 3.428 2.159 ( 4.611 2.662 13.994) 14.972 2.488 ( -0.482 -0.278 2.990) 3.041 2.995 ( -2.736 -1.580 -3.651) 4.828 3.050 ( -0.353 -0.204 -1.623) 1.673 3.089 ( 23.562 13.603 -21.326) 34.569 3.159 ( -0.719 -0.415 -6.205) 6.260 3.214 ( 4.108 2.372 -4.686) 6.668 3.385 ( -3.466 -2.001 0.429) 4.025 3.406 ( -0.506 -0.292 1.689) 1.787 3.563 ( 10.723 6.191 -3.357) 12.829 4.005 ( -7.170 -4.140 0.043) 8.279 4.318 ( -5.412 -3.125 1.874) 6.524 4.560 ( -7.624 -4.402 -3.665) 9.537======================= Grid point 555 (174/231) =======================q-point: ( 0.38 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.790 ( 9.608 5.547 12.295) 16.560 0.862 ( 12.428 7.175 1.987) 14.487 1.069 ( 5.597 3.231 -2.162) 6.815 1.150 ( 10.501 6.063 -1.907) 12.275 1.219 ( 11.734 6.775 -0.959) 13.583 1.406 ( 9.852 5.688 -0.859) 11.409 1.863 ( 2.685 1.550 0.410) 3.127 1.961 ( 4.797 2.769 -0.818) 5.599 2.340 ( 7.979 4.607 12.297) 15.366 2.454 ( -1.419 -0.819 1.116) 1.983 2.911 ( -3.401 -1.964 -2.443) 4.625 3.008 ( -2.780 -1.605 -1.256) 3.447 3.120 ( -1.571 -0.907 -6.951) 7.183 3.227 ( -2.702 -1.560 0.405) 3.146 3.271 ( -6.031 -3.482 1.386) 7.101 3.287 ( 1.757 1.015 -3.272) 3.850 3.459 ( 4.115 2.376 -3.004) 5.621 3.815 ( -6.789 -3.920 3.930) 8.770 3.848 ( 7.307 4.219 -6.534) 10.671 4.128 ( -10.484 -6.053 1.243) 12.169 4.353 ( -7.935 -4.581 -3.309) 9.742======================= Grid point 556 (175/231) =======================q-point: ( 0.46 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( 6.081 3.511 4.119) 8.140 1.091 ( 6.820 3.938 -1.096) 7.951 1.182 ( 3.342 1.929 1.098) 4.012 1.270 ( 2.260 1.305 0.572) 2.672 1.497 ( 10.385 5.996 -1.060) 12.038 1.637 ( 6.340 3.660 1.342) 7.443 1.940 ( 3.683 2.126 -0.104) 4.254 2.132 ( 9.959 5.750 -0.193) 11.502 2.452 ( 1.152 0.665 0.681) 1.495 2.551 ( 7.512 4.337 7.293) 11.333 2.846 ( -1.703 -0.983 -0.942) 2.180 2.917 ( -4.536 -2.619 -1.413) 5.425 3.034 ( -5.388 -3.111 -3.726) 7.252 3.135 ( -3.976 -2.295 1.171) 4.738 3.148 ( -2.979 -1.720 -0.003) 3.440 3.285 ( -1.215 -0.702 -2.558) 2.918 3.528 ( -0.523 -0.302 -3.464) 3.516 3.553 ( -12.163 -7.022 2.987) 14.359 3.838 ( -9.687 -5.593 0.919) 11.223 3.949 ( -2.902 -1.675 -3.873) 5.121 4.235 ( -0.995 -0.574 -0.218) 1.169======================= Grid point 557 (176/231) =======================q-point: ( 0.54 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( 4.261 2.460 -1.405) 5.117 1.181 ( 0.198 0.114 0.158) 0.278 1.233 ( 1.976 1.141 -0.145) 2.286 1.262 ( -3.061 -1.767 3.163) 4.743 1.690 ( 1.583 0.914 1.489) 2.358 1.721 ( 5.600 3.233 -0.719) 6.506 2.027 ( 3.369 1.945 0.207) 3.896 2.351 ( 4.673 2.698 -0.766) 5.450 2.507 ( 4.134 2.387 1.570) 5.025 2.702 ( 4.034 2.329 2.263) 5.179 2.753 ( -7.134 -4.119 -0.653) 8.263 2.798 ( -4.744 -2.739 -0.887) 5.549 2.960 ( 1.289 0.744 0.737) 1.661 3.075 ( -2.206 -1.274 -0.415) 2.581 3.125 ( 0.686 0.396 -0.835) 1.151 3.181 ( -11.843 -6.837 -1.060) 13.716 3.234 ( -3.648 -2.106 0.609) 4.256 3.523 ( -2.815 -1.625 -1.505) 3.582 3.618 ( -8.298 -4.791 1.067) 9.641 3.857 ( -3.095 -1.787 -2.371) 4.289 4.249 ( 0.915 0.529 -0.035) 1.058======================= Grid point 558 (177/231) =======================q-point: ( 0.62 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( -3.044 -1.757 2.996) 4.619 1.159 ( -4.883 -2.819 2.378) 6.119 1.205 ( 3.301 1.906 -1.536) 4.110 1.278 ( 1.697 0.980 -2.763) 3.388 1.670 ( -1.653 -0.954 2.706) 3.312 1.809 ( -0.100 -0.058 -3.444) 3.446 2.094 ( 2.160 1.247 0.723) 2.597 2.318 ( -3.812 -2.201 -0.329) 4.414 2.553 ( -7.705 -4.449 1.993) 9.118 2.577 ( -1.731 -1.000 0.356) 2.031 2.725 ( -1.541 -0.890 1.619) 2.406 2.785 ( 2.204 1.273 -1.561) 2.986 2.936 ( -1.468 -0.848 -0.174) 1.704 3.019 ( 2.729 1.575 -1.606) 3.536 3.125 ( -1.103 -0.637 -1.887) 2.276 3.166 ( 2.122 1.225 2.165) 3.270 3.182 ( 1.002 0.578 1.523) 1.913 3.395 ( -5.939 -3.429 -0.881) 6.915 3.479 ( -4.187 -2.417 0.368) 4.848 3.808 ( -1.050 -0.606 -1.065) 1.614 4.261 ( 0.208 0.120 -0.827) 0.861======================= Grid point 559 (178/231) =======================q-point: ( 0.69 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.044 ( -4.552 -2.628 4.977) 7.239 1.081 ( -1.659 -0.958 3.906) 4.350 1.284 ( 3.544 2.046 -4.265) 5.911 1.304 ( 1.075 0.621 -3.204) 3.436 1.632 ( -2.473 -1.428 -0.882) 2.989 1.754 ( -0.471 -0.272 0.737) 0.916 2.130 ( 0.705 0.407 1.029) 1.312 2.265 ( -0.979 -0.565 -0.051) 1.132 2.426 ( -2.964 -1.711 3.571) 4.946 2.501 ( -2.507 -1.447 -1.272) 3.162 2.690 ( -1.540 -0.889 0.416) 1.826 2.810 ( 0.596 0.344 -4.142) 4.199 2.970 ( 1.389 0.802 -0.199) 1.617 3.068 ( 1.399 0.808 -1.923) 2.511 3.099 ( 0.683 0.394 1.804) 1.969 3.206 ( 0.460 0.266 3.320) 3.362 3.231 ( 0.724 0.418 2.115) 2.275 3.301 ( -0.986 -0.569 -1.537) 1.912 3.396 ( -2.801 -1.617 -0.223) 3.242 3.792 ( -0.268 -0.155 -0.801) 0.858 4.259 ( -0.079 -0.045 -1.387) 1.390======================= Grid point 560 (179/231) =======================q-point: (-0.23 0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.992 ( -0.192 -0.111 3.856) 3.862 1.080 ( 0.850 0.491 3.685) 3.814 1.318 ( 0.545 0.315 -2.877) 2.945 1.342 ( 1.180 0.681 -3.140) 3.422 1.586 ( 0.144 0.083 -0.930) 0.945 1.832 ( 4.771 2.755 1.346) 5.671 2.131 ( -0.843 -0.487 1.066) 1.444 2.249 ( 0.184 0.106 -0.214) 0.302 2.438 ( 3.395 1.960 3.868) 5.507 2.494 ( 2.444 1.411 -1.466) 3.180 2.673 ( 0.710 0.410 0.217) 0.848 2.806 ( -0.222 -0.128 -4.363) 4.371 2.962 ( -2.230 -1.287 -0.259) 2.588 3.069 ( -0.994 -0.574 -2.422) 2.681 3.158 ( 2.990 1.726 3.696) 5.058 3.192 ( -2.128 -1.229 3.680) 4.425 3.222 ( -0.410 -0.237 0.111) 0.486 3.301 ( -0.849 -0.490 -0.775) 1.250 3.377 ( 2.477 1.430 -0.326) 2.878 3.789 ( 0.116 0.067 -0.960) 0.969 4.255 ( -0.017 -0.010 -1.479) 1.479======================= Grid point 567 (180/231) =======================q-point: ( 0.31 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.571 ( 0.000 18.235 5.376) 19.011 0.584 ( 0.000 13.412 20.589) 24.572 0.679 ( 0.000 22.301 7.612) 23.564 0.921 ( -0.000 3.663 -4.965) 6.170 1.015 ( -0.000 10.339 -4.866) 11.427 1.260 ( -0.000 1.060 -6.588) 6.673 1.807 ( 0.000 2.181 2.494) 3.313 1.872 ( 0.000 3.132 -0.800) 3.232 2.184 ( 0.000 5.186 14.381) 15.288 2.497 ( 0.000 -0.535 2.977) 3.024 3.001 ( -0.000 -2.576 -3.252) 4.149 3.007 ( -0.000 25.952 -17.476) 31.287 3.050 ( -0.000 0.427 -2.143) 2.185 3.123 ( -0.000 -2.031 -6.438) 6.751 3.227 ( -0.000 6.405 -5.010) 8.131 3.396 ( 0.000 -2.004 2.170) 2.954 3.401 ( -0.000 -3.183 0.009) 3.183 3.546 ( 0.000 9.069 -1.288) 9.160 4.041 ( -0.000 -3.039 -1.526) 3.401 4.330 ( 0.000 -5.138 2.215) 5.595 4.542 ( -0.000 -10.223 -5.461) 11.590======================= Grid point 568 (181/231) =======================q-point: ( 0.38 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.773 ( 4.065 11.978 14.117) 18.955 0.844 ( 5.491 16.190 5.518) 17.964 1.010 ( 7.090 6.291 -3.799) 10.212 1.031 ( 9.193 11.486 -0.911) 14.740 1.158 ( 4.570 10.803 -2.230) 11.940 1.321 ( 5.093 6.145 -2.803) 8.459 1.849 ( 1.436 2.557 0.692) 3.013 1.930 ( 2.519 3.979 -0.685) 4.759 2.311 ( 3.961 6.644 12.965) 15.097 2.471 ( -1.340 -1.619 0.953) 2.307 2.931 ( -2.913 -3.456 -2.858) 5.348 3.023 ( -1.515 -2.093 -1.037) 2.785 3.096 ( 0.663 -2.468 -6.149) 6.659 3.209 ( 2.962 0.628 -3.036) 4.288 3.279 ( -1.026 1.919 -2.209) 3.101 3.339 ( -2.469 -0.539 0.714) 2.626 3.406 ( 2.631 0.040 -1.850) 3.217 3.721 ( 8.680 6.353 -1.051) 10.808 3.956 ( -6.894 0.582 -1.020) 6.993 4.212 ( -6.494 -7.827 2.108) 10.387 4.367 ( -4.052 -11.751 -5.994) 13.799======================= Grid point 569 (182/231) =======================q-point: ( 0.46 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.973 ( 3.452 7.904 8.491) 12.103 1.070 ( 4.231 9.905 -0.014) 10.771 1.173 ( 4.013 7.139 -0.801) 8.228 1.218 ( 5.223 2.389 -1.448) 5.924 1.395 ( 8.439 8.858 -0.867) 12.265 1.538 ( 8.695 6.116 0.809) 10.661 1.918 ( 2.567 3.895 0.037) 4.665 2.054 ( 5.982 6.779 -0.308) 9.047 2.441 ( 0.315 -0.194 0.055) 0.374 2.489 ( 5.394 4.968 8.986) 11.598 2.837 ( -2.041 -4.448 -1.596) 5.148 2.958 ( -2.699 -2.357 -0.616) 3.635 3.063 ( -0.836 -1.972 -6.501) 6.845 3.165 ( -2.912 -4.348 2.072) 5.628 3.186 ( -4.757 -4.520 0.655) 6.595 3.323 ( -2.443 2.260 -0.903) 3.449 3.474 ( 4.126 -0.007 -3.347) 5.313 3.758 ( -11.229 -2.860 3.413) 12.080 3.903 ( -0.482 0.833 -2.930) 3.084 3.969 ( -7.241 -8.818 -0.195) 11.412 4.195 ( -0.858 -8.863 -2.577) 9.270======================= Grid point 570 (183/231) =======================q-point: ( 0.54 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( 1.872 4.632 2.059) 5.404 1.205 ( 1.159 6.090 -1.538) 6.387 1.268 ( -0.802 5.306 1.724) 5.636 1.285 ( 0.854 1.172 0.750) 1.633 1.617 ( 7.778 5.448 -0.577) 9.513 1.673 ( 3.427 -0.277 1.155) 3.626 2.010 ( 2.401 4.457 0.111) 5.064 2.271 ( 8.023 6.774 -0.122) 10.501 2.464 ( 2.214 0.216 0.994) 2.436 2.632 ( 5.025 1.327 3.788) 6.431 2.764 ( -0.878 -4.757 -0.914) 4.923 2.887 ( -4.275 -0.628 -1.033) 4.442 2.982 ( -3.776 -0.970 -1.562) 4.200 3.073 ( -2.187 -3.974 -0.049) 4.537 3.103 ( 0.257 -1.904 -0.080) 1.922 3.283 ( -3.339 0.537 -0.369) 3.402 3.422 ( -16.983 -5.105 -0.009) 17.734 3.520 ( -0.114 -1.821 -0.900) 2.035 3.724 ( -8.874 -4.890 1.085) 10.190 3.868 ( -2.596 -4.599 -3.174) 6.161 4.168 ( 4.683 -5.917 -0.041) 7.546======================= Grid point 571 (184/231) =======================q-point: ( 0.62 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.159 ( 1.984 2.564 -1.620) 3.624 1.196 ( -4.049 -0.089 1.492) 4.316 1.279 ( -4.647 3.720 2.571) 6.484 1.316 ( -0.898 6.616 -1.038) 6.757 1.683 ( 0.028 -1.299 2.120) 2.487 1.773 ( 4.021 1.684 -1.843) 4.733 2.085 ( 1.515 3.219 0.376) 3.577 2.334 ( -2.410 -3.250 -0.425) 4.068 2.553 ( 4.162 0.804 1.655) 4.551 2.678 ( -4.412 -0.723 0.659) 4.519 2.729 ( -0.140 -0.183 -0.082) 0.245 2.772 ( -1.412 -0.131 -0.781) 1.619 2.972 ( 0.952 -0.254 0.850) 1.302 3.027 ( -3.024 -2.333 1.183) 3.998 3.071 ( -2.286 -2.198 -3.627) 4.818 3.169 ( -1.387 0.725 1.549) 2.202 3.227 ( -3.030 0.705 0.590) 3.166 3.456 ( -4.640 -3.530 -1.593) 6.044 3.537 ( -6.460 -3.285 0.756) 7.287 3.792 ( -0.257 -3.791 -1.405) 4.051 4.189 ( 4.264 -6.037 -0.557) 7.412======================= Grid point 572 (185/231) =======================q-point: ( 0.69 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.113 ( -5.041 -0.088 3.041) 5.888 1.211 ( 0.242 2.920 -3.485) 4.552 1.232 ( -4.070 4.340 3.955) 7.144 1.355 ( -1.777 6.047 -1.938) 6.594 1.663 ( -1.806 -0.376 0.355) 1.878 1.780 ( -1.979 -0.352 -0.764) 2.151 2.133 ( 0.605 2.116 0.537) 2.265 2.255 ( -0.856 -3.061 0.111) 3.181 2.540 ( -6.123 0.062 1.302) 6.261 2.549 ( -5.263 0.429 0.345) 5.292 2.684 ( -1.145 -1.095 -0.070) 1.586 2.846 ( 0.470 3.227 -0.744) 3.345 2.939 ( 0.933 0.123 -0.811) 1.243 3.026 ( 2.733 -0.824 0.125) 2.857 3.067 ( 1.449 -2.005 -0.822) 2.606 3.188 ( 2.045 -0.743 1.716) 2.771 3.232 ( 0.171 1.763 0.869) 1.973 3.332 ( -3.631 -1.896 -0.482) 4.124 3.422 ( -3.566 -3.074 0.114) 4.709 3.765 ( 1.109 -3.180 -0.773) 3.455 4.193 ( 3.576 -6.198 -1.231) 7.261======================= Grid point 573 (186/231) =======================q-point: (-0.23 0.31 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.046 ( -3.542 1.956 3.593) 5.411 1.195 ( -5.676 8.630 3.268) 10.834 1.276 ( 3.163 0.625 -3.383) 4.674 1.368 ( -2.146 3.928 -1.896) 4.860 1.610 ( -2.495 0.685 -2.078) 3.318 1.796 ( 2.061 3.035 2.702) 4.556 2.152 ( -0.691 1.639 0.623) 1.884 2.230 ( 0.599 -2.521 -0.495) 2.638 2.477 ( -2.432 4.219 2.468) 5.459 2.499 ( -1.352 2.461 -0.779) 2.914 2.664 ( -0.091 0.017 -0.643) 0.650 2.839 ( -2.546 2.498 -3.254) 4.828 2.959 ( 0.470 -2.050 -0.239) 2.117 3.051 ( 1.268 -1.855 0.634) 2.335 3.096 ( 3.136 -1.094 0.782) 3.412 3.207 ( -0.412 -1.154 1.090) 1.640 3.251 ( 2.189 0.773 2.412) 3.348 3.299 ( -1.330 0.402 -0.153) 1.398 3.349 ( -0.363 -2.449 -0.680) 2.567 3.757 ( 1.551 -2.906 -0.773) 3.383 4.189 ( 3.491 -6.156 -1.492) 7.232======================= Grid point 581 (187/231) =======================q-point: ( 0.38 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.924 ( 0.000 12.199 16.168) 20.254 0.937 ( 0.000 14.650 0.960) 14.681 1.007 ( -0.000 5.836 -1.628) 6.058 1.052 ( -0.000 8.030 -6.187) 10.137 1.251 ( 0.000 14.350 -1.863) 14.470 1.372 ( 0.000 13.004 0.062) 13.004 1.867 ( 0.000 3.197 0.127) 3.200 1.954 ( 0.000 5.436 -0.259) 5.442 2.384 ( 0.000 8.654 11.770) 14.609 2.466 ( -0.000 -1.427 -0.316) 1.462 2.924 ( -0.000 -3.533 -1.682) 3.913 3.008 ( -0.000 -3.534 -1.425) 3.811 3.050 ( -0.000 -2.622 -5.926) 6.480 3.176 ( -0.000 -1.047 0.255) 1.078 3.302 ( -0.000 -6.259 -0.305) 6.267 3.357 ( -0.000 4.195 -3.311) 5.344 3.377 ( 0.000 1.926 0.680) 2.043 3.687 ( 0.000 1.691 2.362) 2.905 4.021 ( -0.000 0.455 -3.401) 3.432 4.192 ( -0.000 -10.742 0.241) 10.745 4.255 ( -0.000 -11.487 -4.731) 12.423======================= Grid point 582 (188/231) =======================q-point: ( 0.46 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.053 ( 0.830 9.696 8.914) 13.197 1.089 ( 2.939 4.674 -2.518) 6.068 1.142 ( 5.201 4.689 -2.809) 7.545 1.159 ( 6.084 8.444 2.428) 10.687 1.407 ( 2.161 11.692 -1.782) 12.023 1.536 ( 1.720 11.545 1.086) 11.722 1.921 ( 1.916 4.294 -0.171) 4.706 2.051 ( 3.151 8.485 0.101) 9.052 2.446 ( -0.789 0.289 -0.668) 1.073 2.507 ( 1.477 6.991 8.174) 10.857 2.844 ( -3.777 -3.814 -1.442) 5.558 2.959 ( -0.689 -3.744 -0.231) 3.814 3.020 ( 0.752 -2.697 -4.720) 5.487 3.152 ( -0.482 -4.609 2.427) 5.232 3.205 ( -2.669 -5.599 -0.796) 6.254 3.377 ( 0.965 -0.743 -2.621) 2.890 3.414 ( -0.103 3.043 -0.633) 3.110 3.738 ( 5.115 -5.088 3.797) 8.152 3.969 ( -3.491 -4.496 -1.336) 5.847 3.982 ( -5.295 -12.955 -5.540) 15.052 4.145 ( -4.576 -3.762 0.145) 5.926======================= Grid point 583 (189/231) =======================q-point: ( 0.54 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.144 ( -0.474 5.666 3.737) 6.805 1.196 ( 4.302 1.605 -0.142) 4.594 1.279 ( 4.166 5.627 -0.545) 7.022 1.327 ( 3.123 6.240 0.471) 6.993 1.564 ( 4.674 7.499 0.316) 8.842 1.629 ( 0.694 2.610 -0.483) 2.743 2.017 ( 2.772 4.995 -0.001) 5.713 2.235 ( 5.749 9.969 0.332) 11.512 2.444 ( 0.197 0.450 -0.006) 0.491 2.602 ( 1.711 3.543 4.026) 5.629 2.738 ( -2.528 -4.177 -0.696) 4.932 2.915 ( -0.643 -1.949 -0.009) 2.052 2.994 ( -0.337 -2.545 -3.991) 4.746 3.087 ( -1.362 -3.315 1.501) 3.885 3.097 ( -3.634 -3.867 -0.141) 5.309 3.342 ( -2.975 -1.316 0.068) 3.254 3.451 ( 2.134 -0.616 -2.403) 3.273 3.619 ( -9.134 -12.372 0.278) 15.381 3.812 ( -2.183 -4.378 1.769) 5.202 3.862 ( -3.052 -5.836 -3.210) 7.326 4.030 ( -1.887 -4.709 0.331) 5.084======================= Grid point 584 (190/231) =======================q-point: ( 0.62 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.180 ( -0.768 2.752 2.076) 3.532 1.240 ( 0.062 0.028 -1.092) 1.094 1.386 ( -0.004 6.536 -0.237) 6.541 1.410 ( -0.934 6.874 1.034) 7.014 1.648 ( 1.850 -1.223 0.140) 2.222 1.713 ( 4.781 3.429 0.099) 5.884 2.095 ( 1.316 2.792 0.060) 3.088 2.377 ( -2.417 4.058 -0.073) 4.723 2.484 ( 5.497 1.484 1.387) 5.860 2.662 ( 2.043 0.156 0.554) 2.123 2.683 ( 1.362 -2.161 -0.076) 2.556 2.864 ( -4.788 -0.886 -1.372) 5.058 2.966 ( 1.589 -1.069 -1.510) 2.439 3.005 ( -3.073 -1.789 0.920) 3.673 3.073 ( 1.170 -0.693 0.053) 1.361 3.264 ( -3.095 -3.216 0.079) 4.464 3.297 ( -10.018 -6.780 -0.025) 12.096 3.477 ( -1.180 -1.457 -0.431) 1.924 3.667 ( -9.381 -1.814 0.592) 9.573 3.756 ( -2.227 -4.568 -1.448) 5.284 4.001 ( 5.892 -9.841 -0.039) 11.470======================= Grid point 585 (191/231) =======================q-point: ( 0.69 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.191 ( -0.490 0.479 2.299) 2.399 1.216 ( -2.765 2.275 -2.235) 4.221 1.395 ( -4.214 5.312 0.939) 6.845 1.459 ( -2.017 6.054 0.709) 6.420 1.678 ( 0.800 0.876 0.083) 1.190 1.792 ( 1.512 1.764 -0.630) 2.407 2.133 ( 1.499 0.279 -0.009) 1.525 2.303 ( -6.511 2.138 0.332) 6.861 2.554 ( -0.192 -0.331 0.718) 0.814 2.686 ( -1.297 0.533 -0.600) 1.525 2.751 ( -0.809 2.095 0.400) 2.281 2.763 ( 2.674 -0.576 -0.826) 2.857 2.948 ( -1.605 -2.334 1.964) 3.447 2.985 ( 1.107 -1.633 0.863) 2.154 3.059 ( -2.110 1.558 -2.591) 3.687 3.155 ( -0.321 -2.338 0.930) 2.536 3.225 ( 1.224 -1.683 -0.205) 2.091 3.394 ( -5.592 -1.832 -0.479) 5.904 3.494 ( -7.590 -1.201 0.634) 7.710 3.694 ( 1.133 -5.132 -0.601) 5.290 4.008 ( 6.596 -10.886 -0.899) 12.760======================= Grid point 586 (192/231) =======================q-point: ( 0.77 0.38 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.152 ( -4.339 2.571 1.447) 5.247 1.228 ( 1.450 1.084 -2.414) 3.017 1.387 ( -3.607 6.633 2.266) 7.883 1.459 ( -3.135 3.176 0.326) 4.475 1.673 ( -2.694 2.897 -2.140) 4.498 1.836 ( -0.316 4.745 2.345) 5.302 2.159 ( 2.156 -1.566 -0.325) 2.684 2.234 ( -4.364 3.724 0.085) 5.738 2.524 ( -1.794 0.291 -1.561) 2.396 2.635 ( -5.706 5.957 1.596) 8.402 2.704 ( -2.704 2.714 -0.228) 3.838 2.874 ( 3.247 -0.906 0.100) 3.372 2.920 ( -0.117 -1.605 -0.036) 1.609 2.993 ( 2.202 -2.605 1.805) 3.859 3.050 ( 0.555 0.401 -2.577) 2.666 3.160 ( 3.089 -1.975 1.475) 3.952 3.233 ( -0.170 -0.897 -0.862) 1.256 3.306 ( -0.964 -1.585 0.843) 2.037 3.375 ( -4.379 -1.015 0.511) 4.524 3.677 ( 2.491 -4.972 -0.484) 5.582 4.007 ( 6.294 -11.030 -1.344) 12.771======================= Grid point 595 (193/231) =======================q-point: ( 0.46 0.46 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( -0.000 1.163 -3.379) 3.573 1.094 ( 0.000 4.546 -1.215) 4.705 1.188 ( 0.000 7.257 0.684) 7.289 1.190 ( 0.000 6.996 8.396) 10.929 1.510 ( 0.000 11.307 -1.952) 11.474 1.647 ( 0.000 8.972 0.667) 8.997 1.944 ( 0.000 4.315 -0.430) 4.337 2.127 ( 0.000 11.727 0.381) 11.734 2.459 ( -0.000 1.016 -0.613) 1.187 2.593 ( 0.000 7.711 5.402) 9.415 2.859 ( -0.000 -2.516 -0.508) 2.567 2.905 ( -0.000 -5.720 -0.843) 5.782 2.981 ( -0.000 -2.218 -2.463) 3.315 3.111 ( 0.000 -4.100 3.048) 5.109 3.161 ( -0.000 -6.176 -0.643) 6.209 3.334 ( -0.000 -1.779 -5.177) 5.474 3.458 ( 0.000 1.276 1.631) 2.070 3.598 ( -0.000 -12.023 1.124) 12.076 3.862 ( -0.000 -13.707 -2.418) 13.918 3.933 ( -0.000 -6.569 -2.334) 6.971 4.203 ( 0.000 1.556 1.159) 1.940======================= Grid point 596 (194/231) =======================q-point: ( 0.54 0.46 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 3.561 0.818 -1.739) 4.046 1.189 ( 4.245 3.188 0.953) 5.394 1.257 ( 1.273 4.078 4.002) 5.853 1.289 ( 4.639 3.087 -0.471) 5.592 1.617 ( 0.239 8.990 -0.514) 9.007 1.689 ( -2.158 3.251 -0.558) 3.942 2.014 ( 2.565 4.409 -0.266) 5.108 2.270 ( 2.062 10.289 0.050) 10.493 2.469 ( -0.772 2.617 0.241) 2.739 2.651 ( -1.502 4.614 2.078) 5.278 2.766 ( -4.137 -3.463 -0.853) 5.462 2.872 ( 1.398 -4.916 0.361) 5.124 2.965 ( 0.382 -1.276 -0.518) 1.429 3.072 ( -0.960 -3.873 0.189) 3.995 3.105 ( -1.165 -1.746 0.201) 2.108 3.323 ( 1.689 -2.862 -4.128) 5.299 3.421 ( 0.538 -8.897 -0.454) 8.925 3.508 ( 1.715 -9.817 0.623) 9.986 3.731 ( -0.089 -9.437 0.534) 9.452 3.843 ( -2.714 -5.149 -0.855) 5.883 4.156 ( -7.103 1.470 0.945) 7.315======================= Grid point 597 (195/231) =======================q-point: ( 0.62 0.46 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.195 ( 3.656 -0.132 -0.697) 3.725 1.225 ( -0.801 0.928 1.600) 2.016 1.383 ( 5.614 3.330 0.407) 6.540 1.421 ( 6.376 2.942 -0.699) 7.056 1.653 ( -2.817 1.598 -0.736) 3.321 1.707 ( 1.061 4.870 1.150) 5.116 2.096 ( 1.629 2.561 -0.100) 3.037 2.378 ( 4.749 -0.061 -0.220) 4.754 2.494 ( -1.950 6.680 -0.337) 6.967 2.662 ( -1.263 0.327 0.332) 1.346 2.682 ( -2.343 0.499 0.428) 2.434 2.855 ( 2.145 -4.225 0.008) 4.738 2.955 ( -1.142 0.328 0.262) 1.216 3.018 ( -0.549 -2.819 -1.451) 3.218 3.075 ( -1.336 0.657 0.030) 1.490 3.267 ( -2.265 -5.988 -0.369) 6.413 3.310 ( -1.621 -10.143 -2.420) 10.553 3.465 ( 0.527 -2.245 1.527) 2.765 3.677 ( 3.415 -9.631 -0.719) 10.244 3.740 ( -2.709 -3.443 0.944) 4.481 3.997 ( -11.139 -0.112 0.611) 11.156======================= Grid point 598 (196/231) =======================q-point: ( 0.69 0.46 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.206 ( -0.276 0.240 0.502) 0.621 1.251 ( 0.766 0.607 -0.325) 1.030 1.469 ( 0.771 0.969 0.122) 1.244 1.521 ( 0.782 2.602 -0.126) 2.720 1.664 ( 2.182 3.513 -0.164) 4.139 1.778 ( 2.243 3.432 0.480) 4.128 2.113 ( -0.217 -0.383 -0.076) 0.446 2.473 ( 1.125 2.142 0.230) 2.430 2.522 ( 1.970 4.232 -0.129) 4.670 2.602 ( -1.101 -2.340 -0.160) 2.591 2.702 ( 0.946 1.091 0.093) 1.447 2.840 ( -1.099 -1.798 -0.257) 2.123 2.950 ( 0.490 0.646 0.084) 0.815 2.978 ( -1.495 -1.724 -0.024) 2.282 3.082 ( 0.571 0.815 -0.265) 1.030 3.172 ( -2.335 -4.618 -0.388) 5.189 3.177 ( -2.477 -3.453 -0.138) 4.252 3.449 ( -0.947 -2.058 0.524) 2.325 3.585 ( -3.291 -5.495 -0.170) 6.407 3.707 ( -1.660 -2.545 -0.041) 3.039 3.795 ( -4.012 -7.771 0.129) 8.747======================= Grid point 599 (197/231) =======================q-point: ( 0.77 0.46 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.217 ( 0.054 1.464 0.833) 1.685 1.244 ( -1.834 0.739 -1.112) 2.269 1.467 ( -1.026 1.738 0.111) 2.022 1.519 ( -1.630 -0.524 0.995) 1.980 1.744 ( 0.124 5.541 -0.879) 5.612 1.863 ( 2.499 3.886 0.539) 4.652 2.106 ( 0.887 -1.810 -0.180) 2.023 2.436 ( -8.624 9.797 0.664) 13.069 2.566 ( -1.685 1.651 -0.444) 2.400 2.685 ( 7.838 -0.280 -0.830) 7.887 2.736 ( 4.697 -1.906 -0.054) 5.069 2.797 ( -2.678 1.856 0.276) 3.270 2.932 ( -3.142 0.926 1.954) 3.814 2.955 ( -0.005 -2.323 0.452) 2.367 3.058 ( -0.709 -2.704 -1.346) 3.103 3.121 ( -0.418 0.946 0.074) 1.037 3.179 ( 3.108 -1.974 -0.429) 3.707 3.374 ( -5.588 -0.201 -0.217) 5.596 3.462 ( -6.068 -3.058 0.804) 6.843 3.594 ( -1.499 -4.002 0.177) 4.277 3.755 ( 7.009 -12.377 -1.090) 14.265======================= Grid point 609 (198/231) =======================q-point: ( 0.54 0.54 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 0.000 1.135 0.371) 1.194 1.163 ( 0.000 2.052 1.295) 2.426 1.259 ( -0.000 0.601 -2.149) 2.232 1.281 ( 0.000 0.205 1.634) 1.646 1.698 ( 0.000 5.725 1.124) 5.835 1.732 ( -0.000 1.864 -2.327) 2.982 2.032 ( 0.000 4.108 -0.321) 4.120 2.341 ( 0.000 4.319 0.163) 4.322 2.522 ( 0.000 6.330 0.221) 6.333 2.721 ( 0.000 3.628 0.441) 3.654 2.763 ( -0.000 -7.275 -1.651) 7.460 2.786 ( -0.000 -4.844 0.108) 4.845 2.957 ( 0.000 0.414 1.045) 1.124 3.075 ( 0.000 0.309 1.156) 1.196 3.110 ( 0.000 1.797 0.587) 1.891 3.179 ( -0.000 -16.493 -3.323) 16.824 3.287 ( -0.000 -5.600 -3.825) 6.782 3.473 ( 0.000 -3.295 3.428) 4.755 3.635 ( -0.000 -9.351 -0.541) 9.367 3.829 ( -0.000 -2.864 0.371) 2.887 4.237 ( 0.000 0.942 0.989) 1.366======================= Grid point 610 (199/231) =======================q-point: ( 0.62 0.54 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 2.715 0.743 1.871) 3.380 1.214 ( 2.017 -1.098 -0.998) 2.504 1.299 ( 4.361 0.053 -0.380) 4.378 1.312 ( 5.979 0.498 -0.841) 6.058 1.701 ( -1.201 -1.141 -0.256) 1.676 1.759 ( -0.835 4.240 -0.042) 4.322 2.090 ( 1.896 3.026 -0.349) 3.588 2.330 ( -1.116 -3.407 0.220) 3.592 2.573 ( -1.155 3.750 -1.509) 4.204 2.686 ( 0.716 -4.461 -0.881) 4.603 2.729 ( -1.091 1.788 0.190) 2.103 2.764 ( 0.846 -2.208 0.357) 2.391 2.976 ( 0.329 1.742 0.403) 1.818 3.033 ( -2.876 -1.864 2.035) 3.986 3.051 ( 1.495 -7.223 -2.431) 7.766 3.180 ( 2.033 -0.084 -0.203) 2.045 3.246 ( 0.979 -3.040 -2.652) 4.152 3.430 ( -0.218 -4.961 2.769) 5.686 3.545 ( 0.220 -7.607 -0.595) 7.634 3.779 ( -3.048 -1.717 0.791) 3.586 4.179 ( -7.267 0.451 0.935) 7.341======================= Grid point 611 (200/231) =======================q-point: ( 0.69 0.54 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( 2.152 0.546 0.823) 2.367 1.211 ( 1.782 -2.106 -1.009) 2.937 1.401 ( 6.023 -0.612 -0.967) 6.131 1.462 ( 7.070 1.150 -0.241) 7.167 1.677 ( -0.040 0.454 0.272) 0.531 1.788 ( 0.959 2.890 0.444) 3.077 2.133 ( -0.626 1.386 -0.074) 1.523 2.305 ( 5.180 -4.550 -0.385) 6.905 2.559 ( -0.264 -1.078 -1.049) 1.527 2.683 ( 0.735 -0.589 0.439) 1.039 2.752 ( -0.020 3.638 0.086) 3.639 2.760 ( 0.333 -0.830 0.113) 0.901 2.958 ( -1.029 -2.816 -1.537) 3.369 2.988 ( -2.341 1.115 -0.314) 2.612 3.047 ( 3.054 -1.926 1.583) 3.943 3.162 ( -2.194 -1.201 -1.557) 2.946 3.224 ( -2.244 -0.200 0.176) 2.259 3.390 ( 1.394 -5.405 0.967) 5.665 3.497 ( 2.879 -7.181 -0.440) 7.749 3.691 ( -4.862 -1.487 0.563) 5.115 4.002 ( -12.680 0.119 0.939) 12.715======================= Grid point 623 (201/231) =======================q-point: ( 0.62 0.62 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.127 ( 0.000 0.345 4.072) 4.086 1.167 ( -0.000 -2.113 -1.663) 2.689 1.244 ( -0.000 -1.892 -4.333) 4.728 1.255 ( 0.000 0.674 0.615) 0.912 1.686 ( -0.000 -2.911 0.695) 2.993 1.790 ( -0.000 0.298 -1.032) 1.075 2.102 ( 0.000 2.690 -0.549) 2.746 2.312 ( -0.000 -3.823 0.606) 3.871 2.583 ( -0.000 -3.306 -0.672) 3.373 2.584 ( -0.000 -7.988 -3.059) 8.554 2.744 ( -0.000 -1.155 -1.450) 1.854 2.764 ( 0.000 0.740 1.879) 2.019 2.927 ( 0.000 -2.535 1.262) 2.832 3.003 ( 0.000 2.972 1.257) 3.227 3.114 ( 0.000 1.149 -0.013) 1.150 3.180 ( 0.000 3.511 -0.335) 3.526 3.209 ( -0.000 -0.194 -3.067) 3.073 3.377 ( 0.000 -6.187 2.106) 6.536 3.482 ( -0.000 -5.317 -0.265) 5.323 3.796 ( 0.000 -0.937 0.861) 1.272 4.249 ( 0.000 -0.008 1.091) 1.091======================= Grid point 624 (202/231) =======================q-point: (-0.31 -0.38 -0.77)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.126 ( 2.193 -3.445 -1.260) 4.274 1.194 ( 1.609 1.269 1.913) 2.803 1.258 ( 6.252 -1.682 -4.649) 7.970 1.343 ( 6.707 1.297 2.304) 7.210 1.659 ( 0.446 -2.887 1.493) 3.280 1.783 ( 0.844 -0.537 -1.671) 1.947 2.136 ( 1.354 1.615 -0.550) 2.178 2.255 ( -2.158 -2.393 0.190) 3.228 2.542 ( 0.201 -3.983 0.318) 4.001 2.558 ( 5.337 -5.730 -2.570) 8.242 2.683 ( -0.414 -1.851 0.296) 1.920 2.841 ( 3.324 1.141 0.968) 3.645 2.932 ( -0.432 1.086 1.692) 2.056 3.026 ( -0.950 2.034 0.197) 2.253 3.067 ( -3.721 0.999 -0.939) 3.965 3.198 ( -1.843 1.313 -1.932) 2.975 3.236 ( 0.956 1.221 -0.571) 1.652 3.328 ( 0.634 -3.852 0.821) 3.990 3.422 ( -0.802 -4.776 0.161) 4.845 3.761 ( -3.252 -0.580 0.747) 3.386 4.186 ( -7.139 -0.106 1.228) 7.245======================= Grid point 637 (203/231) =======================q-point: (-0.31 -0.31 -0.77)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( -0.000 -4.738 -4.156) 6.302 1.105 ( -0.000 -1.817 -4.271) 4.641 1.263 ( 0.000 3.509 3.281) 4.804 1.286 ( 0.000 1.164 3.353) 3.550 1.622 ( 0.000 -3.644 2.500) 4.419 1.765 ( -0.000 0.656 -2.897) 2.970 2.136 ( -0.000 0.861 -0.931) 1.268 2.264 ( 0.000 -1.256 0.460) 1.338 2.448 ( -0.000 -3.235 -4.135) 5.250 2.493 ( 0.000 -3.220 1.305) 3.474 2.692 ( -0.000 -2.172 -0.168) 2.179 2.785 ( 0.000 0.302 4.547) 4.557 2.967 ( 0.000 1.736 0.561) 1.825 3.059 ( 0.000 1.568 1.202) 1.976 3.113 ( -0.000 1.458 -3.072) 3.400 3.222 ( -0.000 0.792 -2.330) 2.461 3.244 ( -0.000 0.818 -2.314) 2.454 3.291 ( 0.000 -1.052 2.097) 2.346 3.394 ( -0.000 -3.453 0.479) 3.486 3.787 ( 0.000 -0.311 0.809) 0.867 4.251 ( 0.000 -0.156 1.419) 1.427======================= Grid point 736 (204/231) =======================q-point: ( 0.31 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.319 ( 0.000 0.000 10.099) 10.099 0.319 ( 0.000 0.000 10.099) 10.099 0.538 ( 0.000 0.000 29.999) 29.999 0.875 ( -0.000 -0.000 -5.686) 5.686 0.875 ( -0.000 -0.000 -5.686) 5.686 1.263 ( -0.000 -0.000 -8.834) 8.834 1.791 ( 0.000 0.000 3.238) 3.238 1.791 ( 0.000 0.000 3.238) 3.238 2.159 ( 0.000 0.000 15.067) 15.067 2.159 ( 0.000 0.000 15.067) 15.067 2.596 ( -0.000 -0.000 -1.797) 1.797 3.015 ( -0.000 -0.000 -5.284) 5.284 3.015 ( -0.000 -0.000 -5.284) 5.284 3.142 ( -0.000 -0.000 -5.259) 5.259 3.142 ( -0.000 -0.000 -5.259) 5.259 3.431 ( 0.000 0.000 0.109) 0.109 3.431 ( 0.000 0.000 0.109) 0.109 3.459 ( 0.000 0.000 5.144) 5.144 4.094 ( -0.000 -0.000 -3.486) 3.486 4.391 ( 0.000 0.000 2.248) 2.248 4.646 ( -0.000 -0.000 -7.170) 7.170======================= Grid point 737 (205/231) =======================q-point: ( 0.38 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.546 ( 14.138 8.163 6.026) 17.402 0.624 ( 10.126 5.846 16.240) 20.011 0.763 ( 16.959 9.791 10.450) 22.196 0.926 ( 4.534 2.618 -4.947) 7.202 0.978 ( 8.579 4.953 -4.456) 10.862 1.245 ( 2.500 1.444 -7.421) 7.963 1.817 ( 1.506 0.869 1.442) 2.259 1.872 ( 2.895 1.671 -0.781) 3.433 2.241 ( 4.407 2.544 14.534) 15.399 2.503 ( -1.182 -0.683 2.300) 2.674 2.972 ( -2.369 -1.368 -4.571) 5.327 2.988 ( 27.489 15.871 -13.848) 34.631 3.042 ( 0.266 0.154 -1.602) 1.631 3.125 ( -0.967 -0.558 -5.762) 5.870 3.188 ( 4.952 2.859 -4.423) 7.230 3.388 ( -3.326 -1.920 0.593) 3.886 3.419 ( -1.225 -0.707 2.574) 2.937 3.551 ( 8.722 5.035 -1.105) 10.131 4.006 ( -6.122 -3.534 0.823) 7.117 4.331 ( -5.416 -3.127 2.714) 6.817 4.527 ( -7.513 -4.338 -7.574) 11.516======================= Grid point 738 (206/231) =======================q-point: ( 0.46 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.860 ( 7.536 4.351 12.028) 14.846 0.876 ( 11.596 6.695 2.965) 13.715 1.055 ( 6.401 3.695 -2.819) 7.910 1.135 ( 9.310 5.375 -3.281) 11.240 1.219 ( 12.430 7.176 0.622) 14.366 1.398 ( 11.362 6.560 -1.846) 13.249 1.865 ( 2.490 1.437 0.190) 2.881 1.957 ( 4.847 2.799 -0.651) 5.635 2.408 ( 7.052 4.071 11.128) 13.789 2.458 ( -1.565 -0.904 0.283) 1.829 2.898 ( -2.938 -1.696 -2.254) 4.073 3.001 ( -2.821 -1.629 -0.940) 3.391 3.081 ( -1.670 -0.964 -6.734) 7.004 3.232 ( -1.373 -0.793 0.689) 1.729 3.272 ( 1.821 1.052 -1.253) 2.448 3.279 ( -5.804 -3.351 1.405) 6.848 3.442 ( 3.796 2.191 -3.216) 5.436 3.809 ( 3.687 2.129 -6.704) 7.942 3.847 ( -2.755 -1.591 6.732) 7.446 4.139 ( -10.944 -6.319 2.424) 12.868 4.325 ( -6.918 -3.994 -6.403) 10.237======================= Grid point 739 (207/231) =======================q-point: ( 0.54 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.015 ( 4.433 2.559 3.963) 6.473 1.086 ( 6.142 3.546 -0.448) 7.106 1.187 ( 4.030 2.327 0.712) 4.707 1.270 ( 3.140 1.813 -0.679) 3.689 1.494 ( 10.350 5.976 -0.217) 11.954 1.643 ( 6.535 3.773 0.970) 7.608 1.940 ( 3.692 2.131 0.025) 4.263 2.131 ( 10.074 5.816 -0.202) 11.634 2.454 ( 1.272 0.734 0.307) 1.500 2.589 ( 6.271 3.621 5.907) 9.345 2.843 ( -1.536 -0.887 -0.207) 1.786 2.910 ( -4.593 -2.652 -1.206) 5.439 3.011 ( -3.579 -2.066 -4.204) 5.895 3.142 ( -4.362 -2.518 1.094) 5.154 3.149 ( -3.996 -2.307 0.454) 4.636 3.276 ( -1.186 -0.685 -0.410) 1.430 3.508 ( -0.446 -0.257 -3.673) 3.709 3.572 ( -12.181 -7.033 3.323) 14.452 3.843 ( -9.093 -5.250 0.693) 10.523 3.930 ( -3.576 -2.065 -2.870) 5.029 4.230 ( -0.247 -0.143 -1.418) 1.447======================= Grid point 740 (208/231) =======================q-point: ( 0.62 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( 3.182 1.837 -1.326) 3.906 1.178 ( 1.450 0.837 -0.996) 1.949 1.237 ( 0.721 0.416 1.407) 1.635 1.277 ( -2.286 -1.320 2.136) 3.395 1.699 ( 4.112 2.374 1.582) 5.005 1.717 ( 2.917 1.684 -0.441) 3.397 2.028 ( 3.471 2.004 0.310) 4.020 2.347 ( 4.359 2.517 -0.740) 5.088 2.516 ( 4.450 2.569 1.277) 5.295 2.714 ( 3.522 2.033 1.759) 4.431 2.751 ( -7.000 -4.041 0.173) 8.085 2.793 ( -4.405 -2.543 -0.852) 5.157 2.962 ( 1.001 0.578 0.142) 1.164 3.076 ( -1.898 -1.096 0.651) 2.286 3.120 ( 1.227 0.708 -1.009) 1.739 3.171 ( -11.233 -6.485 -1.735) 13.086 3.246 ( -4.934 -2.849 3.133) 6.501 3.510 ( -2.775 -1.602 -2.795) 4.252 3.625 ( -8.345 -4.818 1.261) 9.718 3.844 ( -2.636 -1.522 -2.241) 3.780 4.247 ( 0.831 0.480 -0.542) 1.102======================= Grid point 741 (209/231) =======================q-point: ( 0.69 0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.150 ( -0.589 -0.340 -3.798) 3.859 1.153 ( -2.617 -1.511 2.941) 4.216 1.218 ( -0.946 -0.546 4.487) 4.619 1.263 ( 1.327 0.766 -2.213) 2.692 1.683 ( -1.911 -1.103 1.668) 2.766 1.793 ( -0.197 -0.114 -1.947) 1.960 2.098 ( 2.255 1.302 0.712) 2.700 2.315 ( -3.499 -2.020 -0.510) 4.073 2.567 ( -7.296 -4.213 2.779) 8.872 2.579 ( -2.308 -1.332 0.561) 2.723 2.735 ( -1.230 -0.710 1.803) 2.295 2.775 ( 1.424 0.822 -1.898) 2.511 2.933 ( -1.723 -0.995 -0.878) 2.175 3.010 ( 2.542 1.468 -1.465) 3.281 3.117 ( -0.127 -0.073 -0.968) 0.979 3.175 ( 2.647 1.528 1.291) 3.318 3.193 ( 0.492 0.284 2.457) 2.522 3.387 ( -5.702 -3.292 -1.591) 6.773 3.481 ( -4.355 -2.515 0.249) 5.035 3.802 ( -0.898 -0.518 -1.051) 1.476 4.256 ( 0.074 0.042 -1.069) 1.072======================= Grid point 750 (210/231) =======================q-point: ( 0.38 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.597 ( 0.000 17.165 3.609) 17.540 0.667 ( 0.000 19.878 8.184) 21.497 0.750 ( 0.000 11.406 17.068) 20.528 0.895 ( -0.000 4.116 -3.883) 5.659 0.988 ( -0.000 10.789 -4.463) 11.676 1.220 ( -0.000 1.993 -7.117) 7.391 1.818 ( 0.000 1.669 1.267) 2.095 1.869 ( 0.000 3.228 -0.509) 3.267 2.265 ( 0.000 4.863 13.641) 14.482 2.511 ( 0.000 -1.829 1.989) 2.702 2.931 ( -0.000 29.973 -9.188) 31.350 2.978 ( -0.000 -1.912 -4.973) 5.327 3.039 ( -0.000 0.864 -1.799) 1.996 3.093 ( -0.000 -2.343 -4.105) 4.726 3.199 ( -0.000 7.189 -4.910) 8.706 3.401 ( -0.000 -3.223 -0.279) 3.235 3.411 ( 0.000 -2.300 2.952) 3.742 3.544 ( 0.000 7.818 0.317) 7.824 4.035 ( -0.000 -3.050 -0.612) 3.111 4.344 ( 0.000 -5.060 2.450) 5.622 4.503 ( -0.000 -10.247 -8.022) 13.014======================= Grid point 751 (211/231) =======================q-point: ( 0.46 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 5.296 13.395 6.498) 15.802 0.887 ( 2.956 12.979 9.338) 16.260 0.990 ( 6.754 6.100 -2.731) 9.502 1.023 ( 8.648 9.229 -2.239) 12.845 1.150 ( 5.535 11.748 -0.700) 13.006 1.305 ( 5.834 8.161 -2.826) 10.422 1.852 ( 1.313 2.328 0.288) 2.688 1.927 ( 2.464 4.059 -0.451) 4.770 2.379 ( 3.396 5.650 10.299) 12.228 2.474 ( -1.265 -1.778 0.429) 2.224 2.914 ( -2.641 -2.952 -3.157) 5.065 3.018 ( -1.379 -1.978 -0.486) 2.460 3.065 ( 0.234 -2.477 -4.832) 5.435 3.199 ( 4.499 3.275 -0.662) 5.604 3.266 ( -0.576 2.701 -2.205) 3.534 3.345 ( -2.405 -0.768 1.496) 2.935 3.397 ( 1.467 -1.382 -1.374) 2.439 3.719 ( 8.468 8.514 0.064) 12.008 3.951 ( -6.185 -1.179 -0.364) 6.306 4.227 ( -6.717 -8.176 3.324) 11.091 4.326 ( -3.596 -11.164 -8.104) 14.257======================= Grid point 752 (212/231) =======================q-point: ( 0.54 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( 1.872 6.877 6.824) 9.868 1.071 ( 3.968 9.162 0.632) 10.004 1.166 ( 4.751 7.103 -1.738) 8.720 1.209 ( 5.704 3.713 -1.652) 7.004 1.392 ( 8.521 8.651 -0.166) 12.144 1.542 ( 8.828 6.313 0.333) 10.858 1.918 ( 2.559 3.881 0.054) 4.649 2.053 ( 6.037 6.968 -0.196) 9.222 2.441 ( 0.404 -0.343 -0.186) 0.562 2.534 ( 4.689 4.141 6.352) 8.915 2.829 ( -1.684 -4.327 -0.898) 4.729 2.956 ( -2.848 -2.125 -0.024) 3.554 3.028 ( -0.947 -1.696 -5.595) 5.923 3.177 ( -2.986 -4.356 1.976) 5.639 3.189 ( -4.302 -4.606 0.311) 6.310 3.324 ( -2.778 2.484 1.212) 3.919 3.453 ( 4.243 0.008 -3.814) 5.705 3.778 ( -12.382 -2.663 3.105) 13.040 3.887 ( 1.289 0.904 -1.915) 2.479 3.971 ( -8.216 -9.867 0.746) 12.862 4.177 ( 0.138 -7.715 -3.396) 8.430======================= Grid point 753 (213/231) =======================q-point: ( 0.62 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( 0.677 4.378 1.718) 4.751 1.198 ( 0.935 6.152 -0.997) 6.302 1.277 ( -0.419 5.624 1.374) 5.805 1.286 ( 1.416 0.937 -0.606) 1.802 1.615 ( 7.783 5.358 -0.131) 9.450 1.680 ( 3.616 -0.336 1.085) 3.790 2.011 ( 2.446 4.481 0.188) 5.108 2.271 ( 7.842 6.754 -0.045) 10.349 2.468 ( 2.582 0.477 0.455) 2.665 2.650 ( 4.340 0.769 2.412) 5.024 2.761 ( -0.920 -4.869 -0.222) 4.960 2.881 ( -4.713 -0.827 -1.091) 4.908 2.973 ( -1.863 -0.602 -1.642) 2.555 3.073 ( -2.665 -3.951 -0.020) 4.766 3.104 ( -0.421 -1.924 0.461) 2.023 3.286 ( -3.536 0.770 1.591) 3.953 3.422 ( -14.470 -5.162 -0.098) 15.364 3.515 ( -2.496 -2.065 -0.855) 3.351 3.730 ( -8.841 -4.910 0.853) 10.149 3.851 ( -2.326 -4.350 -2.486) 5.524 4.166 ( 4.747 -5.731 -0.606) 7.466======================= Grid point 754 (214/231) =======================q-point: ( 0.69 0.38 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.147 ( 0.466 2.820 -2.254) 3.641 1.207 ( -2.843 0.234 1.773) 3.358 1.292 ( -3.607 3.456 2.009) 5.385 1.312 ( -1.639 6.423 -0.410) 6.642 1.695 ( 0.109 -1.557 1.807) 2.388 1.763 ( 3.695 1.662 -1.545) 4.336 2.088 ( 1.605 3.181 0.400) 3.586 2.332 ( -2.355 -2.940 -0.371) 3.785 2.563 ( 3.883 0.735 1.838) 4.359 2.682 ( -4.485 -1.167 0.800) 4.703 2.729 ( 0.767 -0.136 0.040) 0.780 2.767 ( -1.482 -0.252 -0.807) 1.706 2.976 ( 0.953 0.373 0.453) 1.119 3.036 ( -0.976 -2.515 1.701) 3.189 3.051 ( -4.981 -2.459 -3.058) 6.341 3.176 ( -1.177 1.068 1.005) 1.881 3.234 ( -3.042 0.173 1.719) 3.499 3.445 ( -4.405 -3.091 -2.401) 5.892 3.541 ( -6.618 -3.465 0.748) 7.507 3.785 ( -0.050 -3.580 -1.212) 3.780 4.185 ( 4.112 -6.070 -0.840) 7.380======================= Grid point 764 (215/231) =======================q-point: ( 0.46 0.46 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( 0.000 12.851 -2.281) 13.052 1.002 ( 0.000 8.143 4.897) 9.503 1.007 ( 0.000 7.715 1.512) 7.862 1.021 ( 0.000 9.752 1.459) 9.861 1.241 ( 0.000 14.038 -1.695) 14.140 1.373 ( 0.000 14.673 0.498) 14.681 1.867 ( 0.000 2.961 -0.061) 2.962 1.953 ( 0.000 5.560 -0.100) 5.560 2.442 ( 0.000 7.659 8.436) 11.395 2.463 ( -0.000 -1.727 -0.720) 1.871 2.910 ( -0.000 -2.783 -3.071) 4.144 3.001 ( -0.000 -3.465 -0.961) 3.596 3.026 ( -0.000 -2.658 -2.195) 3.448 3.185 ( 0.000 0.368 2.773) 2.797 3.299 ( -0.000 -6.299 -0.777) 6.347 3.335 ( -0.000 2.698 -4.474) 5.225 3.387 ( 0.000 2.731 2.512) 3.710 3.706 ( 0.000 2.783 4.379) 5.189 3.993 ( -0.000 -0.454 -6.773) 6.788 4.188 ( -0.000 -15.615 -2.359) 15.792 4.238 ( -0.000 -5.838 -0.126) 5.839======================= Grid point 765 (216/231) =======================q-point: ( 0.54 0.46 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.069 ( 2.973 4.467 -2.843) 6.073 1.085 ( 4.109 7.475 0.415) 8.540 1.137 ( 3.061 6.760 1.895) 7.659 1.177 ( 4.840 8.406 3.656) 10.366 1.398 ( 2.547 11.702 -1.286) 12.045 1.540 ( 1.450 11.327 0.578) 11.434 1.920 ( 1.989 4.224 -0.177) 4.672 2.051 ( 3.143 8.682 0.125) 9.235 2.442 ( -0.699 0.187 -0.548) 0.908 2.544 ( 1.201 6.011 4.714) 7.732 2.835 ( -3.649 -3.450 -1.581) 5.265 2.959 ( -0.397 -3.682 0.147) 3.707 3.000 ( 0.266 -2.175 -1.871) 2.881 3.168 ( -0.805 -4.689 2.821) 5.531 3.200 ( -2.578 -5.609 -1.098) 6.269 3.358 ( 2.635 -1.480 -3.769) 4.831 3.418 ( -1.653 3.751 1.729) 4.448 3.762 ( 5.243 -6.478 4.510) 9.476 3.932 ( -2.860 -3.930 -8.181) 9.516 3.976 ( -4.880 -12.729 0.156) 13.633 4.148 ( -5.294 -2.712 1.265) 6.081======================= Grid point 766 (217/231) =======================q-point: ( 0.62 0.46 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.156 ( 1.044 4.436 0.691) 4.609 1.199 ( 2.548 2.211 0.686) 3.442 1.276 ( 4.093 6.324 -0.318) 7.540 1.329 ( 3.182 5.848 0.181) 6.660 1.566 ( 4.762 7.996 0.140) 9.308 1.627 ( 0.900 2.088 -0.158) 2.279 2.017 ( 2.832 4.971 -0.002) 5.721 2.236 ( 5.743 9.970 0.144) 11.507 2.444 ( 0.337 0.577 -0.030) 0.669 2.618 ( 1.475 2.767 1.593) 3.517 2.736 ( -2.404 -4.043 -0.288) 4.712 2.916 ( -0.996 -2.036 0.209) 2.276 2.977 ( -0.591 -1.738 -1.757) 2.541 3.093 ( -1.892 -4.240 0.718) 4.698 3.097 ( -2.848 -3.473 -0.095) 4.493 3.343 ( -2.108 -2.034 0.264) 2.941 3.440 ( 1.141 0.215 -1.172) 1.650 3.620 ( -8.325 -13.193 0.217) 15.602 3.824 ( -2.334 -4.316 2.353) 5.441 3.843 ( -2.935 -5.208 -3.019) 6.697 4.031 ( -2.188 -4.319 0.102) 4.842======================= Grid point 767 (218/231) =======================q-point: ( 0.69 0.46 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( -1.344 3.065 1.330) 3.602 1.233 ( 0.461 -0.309 -1.236) 1.355 1.385 ( -0.004 6.509 -0.320) 6.517 1.416 ( -0.684 6.891 0.962) 6.991 1.649 ( 2.298 -1.457 0.465) 2.760 1.712 ( 4.246 3.497 -0.592) 5.532 2.096 ( 1.360 2.731 0.078) 3.052 2.377 ( -2.446 4.102 0.118) 4.777 2.491 ( 6.115 1.486 0.934) 6.362 2.663 ( 1.263 -0.933 -0.094) 1.573 2.683 ( 1.527 -1.512 -0.022) 2.149 2.858 ( -4.778 -0.606 -0.812) 4.884 2.959 ( 1.534 -0.887 -0.931) 2.002 3.011 ( -2.667 -1.826 1.102) 3.415 3.074 ( 1.056 -0.819 0.216) 1.354 3.266 ( -3.650 -4.120 0.251) 5.510 3.300 ( -8.806 -6.505 1.203) 11.014 3.473 ( -1.687 -0.987 -1.090) 2.238 3.672 ( -9.559 -2.035 0.966) 9.821 3.747 ( -2.032 -4.101 -1.498) 4.815 4.000 ( 5.653 -9.779 -0.364) 11.302======================= Grid point 778 (219/231) =======================q-point: ( 0.54 0.54 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.059 ( -0.000 2.217 -4.115) 4.675 1.088 ( 0.000 5.380 -0.749) 5.432 1.190 ( 0.000 6.406 0.189) 6.409 1.233 ( 0.000 5.701 6.433) 8.596 1.501 ( 0.000 11.618 -1.402) 11.703 1.649 ( 0.000 8.438 0.004) 8.438 1.942 ( 0.000 4.305 -0.342) 4.318 2.129 ( 0.000 11.736 0.288) 11.739 2.456 ( 0.000 1.348 -0.252) 1.371 2.615 ( 0.000 6.571 1.973) 6.861 2.853 ( -0.000 -2.157 -1.522) 2.640 2.903 ( -0.000 -5.599 -0.098) 5.600 2.976 ( 0.000 -1.864 0.868) 2.056 3.130 ( 0.000 -4.578 3.116) 5.538 3.157 ( -0.000 -5.971 -0.775) 6.021 3.306 ( -0.000 -1.805 -4.861) 5.186 3.470 ( 0.000 0.851 2.654) 2.787 3.599 ( -0.000 -13.548 -0.782) 13.571 3.850 ( -0.000 -11.245 -1.500) 11.344 3.922 ( -0.000 -6.310 -1.297) 6.442 4.211 ( 0.000 1.257 1.598) 2.033======================= Grid point 779 (220/231) =======================q-point: ( 0.62 0.54 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( 3.571 1.771 -1.756) 4.356 1.193 ( 4.868 3.508 0.645) 6.035 1.276 ( 0.794 3.343 2.506) 4.253 1.285 ( 4.377 2.156 -0.879) 4.958 1.615 ( 0.536 9.283 -0.203) 9.300 1.685 ( -2.168 3.074 -0.871) 3.862 2.013 ( 2.623 4.396 -0.243) 5.125 2.271 ( 2.009 10.135 0.026) 10.332 2.470 ( -0.820 2.726 0.035) 2.847 2.657 ( -1.546 3.972 -0.130) 4.264 2.762 ( -3.924 -3.374 -0.556) 5.205 2.876 ( 1.554 -4.861 0.886) 5.180 2.966 ( 0.181 -0.940 0.789) 1.240 3.073 ( -1.582 -4.415 0.036) 4.690 3.106 ( -1.234 -1.536 -0.025) 1.970 3.301 ( 2.307 -2.816 -3.384) 4.971 3.421 ( 1.415 -12.013 0.147) 12.097 3.511 ( 0.625 -6.516 0.491) 6.564 3.733 ( 0.152 -9.804 0.009) 9.805 3.842 ( -2.679 -4.395 0.672) 5.191 4.161 ( -7.202 1.390 0.905) 7.391======================= Grid point 792 (221/231) =======================q-point: (-0.38 -0.38 -0.69)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 0.000 2.388 0.825) 2.526 1.171 ( 0.000 2.185 1.383) 2.586 1.247 ( -0.000 0.373 -2.098) 2.130 1.284 ( -0.000 -1.375 -0.375) 1.426 1.703 ( 0.000 7.768 0.370) 7.776 1.720 ( -0.000 0.084 -1.606) 1.608 2.030 ( 0.000 4.088 -0.348) 4.103 2.343 ( 0.000 4.651 0.550) 4.683 2.521 ( 0.000 5.723 -0.587) 5.753 2.721 ( 0.000 3.697 -0.646) 3.753 2.755 ( -0.000 -7.774 -1.145) 7.858 2.789 ( -0.000 -4.841 0.636) 4.883 2.961 ( 0.000 0.789 0.506) 0.937 3.079 ( -0.000 -0.803 -0.015) 0.804 3.114 ( 0.000 1.793 0.914) 2.012 3.167 ( -0.000 -14.622 -0.698) 14.639 3.266 ( -0.000 -5.973 -3.728) 7.041 3.492 ( 0.000 -3.226 3.337) 4.641 3.631 ( -0.000 -9.572 -0.939) 9.618 3.833 ( 0.000 -2.761 1.362) 3.079 4.243 ( 0.000 0.931 0.895) 1.292======================= Grid point 920 (222/231) =======================q-point: ( 0.38 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.367 ( 0.000 0.000 6.872) 6.872 0.367 ( 0.000 0.000 6.872) 6.872 0.690 ( 0.000 0.000 23.118) 23.118 0.845 ( -0.000 -0.000 -4.525) 4.525 0.845 ( -0.000 -0.000 -4.525) 4.525 1.209 ( -0.000 -0.000 -9.760) 9.760 1.804 ( 0.000 0.000 1.468) 1.468 1.804 ( 0.000 0.000 1.468) 1.468 2.240 ( 0.000 0.000 12.913) 12.913 2.240 ( 0.000 0.000 12.913) 12.913 2.584 ( -0.000 -0.000 -2.248) 2.248 2.982 ( -0.000 -0.000 -5.852) 5.852 2.982 ( -0.000 -0.000 -5.852) 5.852 3.118 ( -0.000 -0.000 -3.165) 3.165 3.118 ( -0.000 -0.000 -3.165) 3.165 3.431 ( 0.000 0.000 0.067) 0.067 3.431 ( 0.000 0.000 0.067) 0.067 3.489 ( 0.000 0.000 5.147) 5.147 4.084 ( -0.000 -0.000 -0.262) 0.262 4.402 ( 0.000 0.000 1.443) 1.443 4.602 ( -0.000 -0.000 -7.710) 7.710======================= Grid point 921 (223/231) =======================q-point: ( 0.46 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.579 ( 13.508 7.799 5.217) 16.447 0.687 ( 14.111 8.147 6.518) 17.549 0.828 ( 10.130 5.849 11.013) 16.066 0.900 ( 4.714 2.722 -4.184) 6.866 0.959 ( 9.190 5.306 -2.003) 10.799 1.203 ( 3.178 1.835 -6.999) 7.902 1.822 ( 1.257 0.726 0.551) 1.552 1.868 ( 2.890 1.669 -0.467) 3.370 2.313 ( 4.080 2.356 10.302) 11.328 2.513 ( -2.320 -1.339 1.395) 3.020 2.930 ( 29.098 16.800 -7.149) 34.352 2.947 ( -1.845 -1.065 -3.771) 4.331 3.033 ( 0.681 0.393 -1.330) 1.546 3.097 ( -1.404 -0.811 -3.960) 4.279 3.168 ( 5.641 3.257 -2.484) 6.971 3.392 ( -3.169 -1.829 0.639) 3.714 3.431 ( -1.465 -0.846 1.594) 2.325 3.549 ( 7.067 4.080 0.000) 8.160 4.015 ( -5.226 -3.017 2.303) 6.459 4.346 ( -5.025 -2.901 2.237) 6.219 4.482 ( -7.716 -4.455 -7.487) 11.638======================= Grid point 922 (224/231) =======================q-point: ( 0.54 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.894 ( 10.865 6.273 3.605) 13.054 0.922 ( 6.005 3.467 9.660) 11.891 1.038 ( 7.087 4.092 -3.151) 8.769 1.112 ( 9.141 5.277 -5.098) 11.721 1.224 ( 12.158 7.020 1.277) 14.097 1.387 ( 12.691 7.327 -1.877) 14.774 1.866 ( 2.423 1.399 0.108) 2.800 1.954 ( 4.876 2.815 -0.375) 5.642 2.458 ( 6.347 3.665 6.219) 9.612 2.458 ( -1.602 -0.925 0.061) 1.851 2.889 ( -2.400 -1.386 -0.571) 2.829 2.998 ( -2.879 -1.662 -0.359) 3.344 3.047 ( -1.908 -1.101 -5.088) 5.544 3.225 ( 0.448 0.259 -3.071) 3.115 3.281 ( 1.289 0.744 3.948) 4.219 3.286 ( -5.646 -3.260 1.305) 6.649 3.423 ( 3.113 1.797 -3.360) 4.921 3.771 ( 4.158 2.401 -6.618) 8.176 3.892 ( -3.074 -1.775 9.174) 9.837 4.154 ( -11.596 -6.695 2.780) 13.676 4.286 ( -5.751 -3.320 -6.828) 9.525======================= Grid point 923 (225/231) =======================q-point: ( 0.62 0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.037 ( 3.058 1.765 3.868) 5.237 1.086 ( 5.407 3.122 0.184) 6.247 1.190 ( 4.781 2.760 0.280) 5.528 1.260 ( 3.958 2.285 -3.172) 5.563 1.495 ( 10.256 5.921 0.666) 11.861 1.648 ( 6.880 3.972 0.536) 7.962 1.940 ( 3.712 2.143 0.186) 4.290 2.130 ( 10.141 5.855 -0.213) 11.711 2.455 ( 1.314 0.758 0.088) 1.519 2.614 ( 5.531 3.194 2.437) 6.836 2.845 ( -1.545 -0.892 1.065) 2.078 2.904 ( -4.713 -2.721 -0.644) 5.481 2.989 ( -2.241 -1.294 -3.416) 4.285 3.143 ( -4.361 -2.518 -1.172) 5.170 3.153 ( -4.733 -2.733 0.724) 5.513 3.283 ( -1.355 -0.782 2.851) 3.253 3.487 ( 0.229 0.132 -3.457) 3.467 3.589 ( -12.454 -7.190 2.675) 14.628 3.846 ( -8.591 -4.960 0.374) 9.927 3.920 ( -4.827 -2.787 -0.551) 5.600 4.221 ( 0.540 0.312 -1.800) 1.905======================= Grid point 934 (226/231) =======================q-point: ( 0.46 0.46 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.609 ( 0.000 16.236 0.544) 16.245 0.697 ( 0.000 20.555 3.236) 20.808 0.837 ( 0.000 7.232 11.620) 13.687 0.880 ( 0.000 4.690 -1.258) 4.856 0.967 ( 0.000 11.316 -2.909) 11.684 1.184 ( -0.000 3.209 -4.830) 5.799 1.822 ( 0.000 1.430 0.504) 1.516 1.867 ( 0.000 3.274 -0.202) 3.280 2.329 ( 0.000 4.539 8.055) 9.246 2.519 ( -0.000 -3.181 0.601) 3.237 2.901 ( 0.000 32.287 -2.023) 32.350 2.949 ( -0.000 -1.510 -4.372) 4.625 3.031 ( -0.000 1.338 -1.093) 1.728 3.079 ( -0.000 -2.418 -0.934) 2.593 3.174 ( -0.000 7.405 -3.434) 8.163 3.399 ( -0.000 -3.331 -0.480) 3.365 3.427 ( 0.000 -2.059 2.236) 3.040 3.547 ( 0.000 6.897 0.603) 6.923 4.033 ( -0.000 -3.802 -0.281) 3.812 4.354 ( -0.000 -4.671 1.138) 4.808 4.462 ( -0.000 -10.345 -5.227) 11.590======================= Grid point 935 (227/231) =======================q-point: ( 0.54 0.46 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.855 ( 6.949 13.911 1.910) 15.667 0.927 ( 3.255 9.864 3.536) 10.973 0.986 ( 4.870 7.721 1.963) 9.337 1.006 ( 7.419 7.739 -3.541) 11.290 1.149 ( 6.321 11.726 0.038) 13.321 1.293 ( 6.116 9.874 -1.260) 11.683 1.853 ( 1.272 2.224 0.071) 2.563 1.925 ( 2.413 4.116 -0.159) 4.774 2.419 ( 2.604 4.423 3.677) 6.314 2.477 ( -0.781 -1.243 0.521) 1.558 2.899 ( -1.994 -2.747 -1.577) 3.743 3.018 ( -1.202 -1.810 0.100) 2.175 3.045 ( -0.677 -2.404 -2.022) 3.214 3.199 ( 4.371 5.400 0.265) 6.953 3.256 ( 0.425 2.560 -1.067) 2.806 3.353 ( -1.364 -0.598 0.964) 1.774 3.390 ( -0.317 -2.505 -0.724) 2.627 3.720 ( 7.373 10.504 0.143) 12.834 3.951 ( -4.184 -3.557 0.080) 5.492 4.250 ( -7.108 -8.417 4.690) 11.973 4.282 ( -3.343 -10.390 -6.967) 12.949======================= Grid point 936 (228/231) =======================q-point: ( 0.62 0.46 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 1099Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( 1.269 5.541 4.567) 7.291 1.078 ( 3.808 8.785 1.767) 9.737 1.153 ( 5.477 6.416 -2.807) 8.890 1.197 ( 5.405 5.800 -2.941) 8.455 1.393 ( 8.678 8.383 0.607) 12.081 1.542 ( 8.973 6.599 -0.113) 11.139 1.919 ( 2.595 3.863 0.117) 4.655 2.052 ( 6.033 7.070 -0.132) 9.295 2.440 ( 0.484 -0.423 0.077) 0.648 2.555 ( 4.333 3.764 1.031) 5.832 2.828 ( -1.286 -4.475 0.570) 4.691 2.958 ( -3.049 -1.979 0.450) 3.663 3.003 ( -1.271 -1.367 -2.834) 3.394 3.180 ( -3.476 -3.711 -1.167) 5.217 3.193 ( -3.720 -4.894 1.199) 6.263 3.337 ( -2.902 2.214 3.342) 4.949 3.432 ( 4.292 0.072 -3.354) 5.447 3.783 ( -11.044 -0.395 -2.019) 11.234 3.893 ( 0.120 -2.082 4.633) 5.081 3.975 ( -8.407 -10.218 0.437) 13.239 4.160 ( 0.663 -6.612 -2.657) 7.156======================= Grid point 948 (229/231) =======================q-point: ( 0.54 0.54 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.915 ( -0.000 12.136 -3.641) 12.670 0.970 ( -0.000 6.180 -7.776) 9.932 1.020 ( 0.000 8.519 2.956) 9.018 1.074 ( 0.000 10.781 8.723) 13.868 1.232 ( 0.000 13.820 -1.537) 13.906 1.378 ( 0.000 15.308 1.255) 15.359 1.866 ( 0.000 2.832 -0.104) 2.833 1.953 ( 0.000 5.624 0.101) 5.625 2.460 ( -0.000 -1.835 -0.424) 1.883 2.472 ( 0.000 7.128 1.594) 7.304 2.894 ( -0.000 -2.435 -2.269) 3.328 2.997 ( -0.000 -3.395 -0.314) 3.410 3.026 ( 0.000 -2.542 2.078) 3.284 3.204 ( 0.000 0.991 3.864) 3.989 3.293 ( -0.000 -6.388 -1.102) 6.482 3.308 ( -0.000 1.951 -5.055) 5.419 3.404 ( 0.000 2.960 3.301) 4.433 3.735 ( 0.000 3.919 5.808) 7.007 3.946 ( -0.000 -2.287 -9.443) 9.716 4.170 ( -0.000 -14.834 -3.240) 15.184 4.253 ( 0.000 -5.420 4.754) 7.210======================= Grid point 1105 (230/231) =======================q-point: ( 0.46 0.46 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 231Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.394 ( 0.000 0.000 2.503) 2.503 0.394 ( 0.000 0.000 2.503) 2.503 0.787 ( 0.000 0.000 9.651) 9.651 0.827 ( -0.000 -0.000 -1.774) 1.774 0.827 ( -0.000 -0.000 -1.774) 1.774 1.164 ( -0.000 -0.000 -5.148) 5.148 1.809 ( 0.000 0.000 0.408) 0.408 1.809 ( 0.000 0.000 0.408) 0.408 2.294 ( 0.000 0.000 5.239) 5.239 2.294 ( 0.000 0.000 5.239) 5.239 2.574 ( -0.000 -0.000 -0.992) 0.992 2.956 ( -0.000 -0.000 -2.743) 2.743 2.956 ( -0.000 -0.000 -2.743) 2.743 3.106 ( -0.000 -0.000 -0.996) 0.996 3.106 ( -0.000 -0.000 -0.996) 0.996 3.432 ( 0.000 0.000 0.022) 0.022 3.432 ( 0.000 0.000 0.022) 0.022 3.511 ( 0.000 0.000 2.187) 2.187 4.086 ( 0.000 0.000 0.601) 0.601 4.406 ( 0.000 0.000 0.172) 0.172 4.569 ( -0.000 -0.000 -3.272) 3.272======================= Grid point 1106 (231/231) =======================q-point: ( 0.54 0.46 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 Number of triplets: 595Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.602 ( 13.512 7.801 2.903) 15.870 0.705 ( 16.576 9.570 0.454) 19.145 0.867 ( 6.223 3.593 1.374) 7.316 0.882 ( 4.535 2.619 -1.968) 5.595 0.957 ( 9.870 5.698 0.892) 11.432 1.175 ( 3.474 2.006 -2.011) 4.488 1.824 ( 1.182 0.683 0.002) 1.365 1.866 ( 2.863 1.653 -0.127) 3.308 2.348 ( 3.875 2.237 1.476) 4.712 2.519 ( -3.032 -1.750 0.494) 3.536 2.903 ( 29.059 16.777 -2.622) 33.656 2.936 ( -1.407 -0.812 0.135) 1.630 3.028 ( 1.148 0.663 -0.274) 1.354 3.081 ( -1.844 -1.065 -1.666) 2.703 3.162 ( 6.131 3.540 0.627) 7.108 3.395 ( -3.016 -1.741 0.599) 3.534 3.435 ( -1.507 -0.870 -0.462) 1.801 3.549 ( 5.965 3.444 -0.031) 6.887 4.028 ( -4.289 -2.476 1.788) 5.265 4.355 ( -4.237 -2.446 0.906) 4.975 4.453 ( -8.502 -4.909 -2.136) 10.047=================== 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 3/46137 10.0 122.556 122.556 28.224 0.000 -0.000 -0.000 3/46137 20.0 36.616 36.616 10.377 0.000 -0.000 -0.000 3/46137 30.0 16.834 16.834 5.153 0.000 -0.000 -0.000 3/46137 40.0 10.598 10.598 3.335 0.000 -0.000 -0.000 3/46137 50.0 7.843 7.843 2.496 0.000 -0.000 -0.000 3/46137 60.0 6.314 6.314 2.020 0.000 -0.000 -0.000 3/46137 70.0 5.330 5.330 1.710 0.000 -0.000 -0.000 3/46137 80.0 4.635 4.635 1.490 0.000 -0.000 -0.000 3/46137 90.0 4.112 4.112 1.323 0.000 -0.000 -0.000 3/46137 100.0 3.701 3.701 1.192 0.000 -0.000 -0.000 3/46137 110.0 3.369 3.369 1.086 0.000 -0.000 -0.000 3/46137 120.0 3.093 3.093 0.998 0.000 -0.000 -0.000 3/46137 130.0 2.860 2.860 0.923 0.000 -0.000 -0.000 3/46137 140.0 2.660 2.660 0.859 0.000 -0.000 -0.000 3/46137 150.0 2.487 2.487 0.803 0.000 -0.000 -0.000 3/46137 160.0 2.336 2.336 0.755 0.000 -0.000 -0.000 3/46137 170.0 2.202 2.202 0.711 0.000 -0.000 -0.000 3/46137 180.0 2.082 2.082 0.673 0.000 -0.000 -0.000 3/46137 190.0 1.975 1.975 0.639 0.000 -0.000 -0.000 3/46137 200.0 1.879 1.879 0.608 0.000 -0.000 -0.000 3/46137 210.0 1.792 1.792 0.579 0.000 -0.000 -0.000 3/46137 220.0 1.712 1.712 0.554 0.000 -0.000 -0.000 3/46137 230.0 1.639 1.639 0.530 0.000 -0.000 -0.000 3/46137 240.0 1.572 1.572 0.509 0.000 -0.000 -0.000 3/46137 250.0 1.511 1.511 0.489 0.000 -0.000 -0.000 3/46137 260.0 1.454 1.454 0.471 0.000 -0.000 -0.000 3/46137 270.0 1.401 1.401 0.454 0.000 -0.000 -0.000 3/46137 280.0 1.352 1.352 0.438 0.000 -0.000 -0.000 3/46137 290.0 1.306 1.306 0.423 0.000 -0.000 -0.000 3/46137 300.0 1.264 1.264 0.409 0.000 -0.000 -0.000 3/46137 310.0 1.224 1.224 0.396 0.000 -0.000 -0.000 3/46137 320.0 1.186 1.186 0.384 0.000 -0.000 -0.000 3/46137 330.0 1.151 1.151 0.373 0.000 -0.000 -0.000 3/46137 340.0 1.117 1.117 0.362 0.000 -0.000 -0.000 3/46137 350.0 1.086 1.086 0.352 0.000 -0.000 -0.000 3/46137 360.0 1.056 1.056 0.342 0.000 -0.000 -0.000 3/46137 370.0 1.028 1.028 0.333 0.000 -0.000 -0.000 3/46137 380.0 1.002 1.002 0.325 0.000 -0.000 -0.000 3/46137 390.0 0.976 0.976 0.316 0.000 -0.000 -0.000 3/46137 400.0 0.952 0.952 0.309 0.000 -0.000 -0.000 3/46137 410.0 0.929 0.929 0.301 0.000 -0.000 -0.000 3/46137 420.0 0.908 0.908 0.294 0.000 -0.000 -0.000 3/46137 430.0 0.887 0.887 0.287 0.000 -0.000 -0.000 3/46137 440.0 0.867 0.867 0.281 0.000 -0.000 -0.000 3/46137 450.0 0.848 0.848 0.275 0.000 -0.000 -0.000 3/46137 460.0 0.830 0.830 0.269 0.000 -0.000 -0.000 3/46137 470.0 0.812 0.812 0.263 0.000 -0.000 -0.000 3/46137 480.0 0.795 0.795 0.258 0.000 -0.000 -0.000 3/46137 490.0 0.779 0.779 0.253 0.000 -0.000 -0.000 3/46137 500.0 0.764 0.764 0.248 0.000 -0.000 -0.000 3/46137 510.0 0.749 0.749 0.243 0.000 -0.000 -0.000 3/46137 520.0 0.735 0.735 0.238 0.000 -0.000 -0.000 3/46137 530.0 0.721 0.721 0.234 0.000 -0.000 -0.000 3/46137 540.0 0.708 0.708 0.230 0.000 -0.000 -0.000 3/46137 550.0 0.695 0.695 0.226 0.000 -0.000 -0.000 3/46137 560.0 0.683 0.683 0.222 0.000 -0.000 -0.000 3/46137 570.0 0.671 0.671 0.218 0.000 -0.000 -0.000 3/46137 580.0 0.660 0.660 0.214 0.000 -0.000 -0.000 3/46137 590.0 0.649 0.649 0.210 0.000 -0.000 -0.000 3/46137 600.0 0.638 0.638 0.207 0.000 -0.000 -0.000 3/46137 610.0 0.628 0.628 0.204 0.000 -0.000 -0.000 3/46137 620.0 0.618 0.618 0.200 0.000 -0.000 -0.000 3/46137 630.0 0.608 0.608 0.197 0.000 -0.000 -0.000 3/46137 640.0 0.598 0.598 0.194 0.000 -0.000 -0.000 3/46137 650.0 0.589 0.589 0.191 0.000 -0.000 -0.000 3/46137 660.0 0.581 0.581 0.188 0.000 -0.000 -0.000 3/46137 670.0 0.572 0.572 0.186 0.000 -0.000 -0.000 3/46137 680.0 0.564 0.564 0.183 0.000 -0.000 -0.000 3/46137 690.0 0.556 0.556 0.180 0.000 -0.000 -0.000 3/46137 700.0 0.548 0.548 0.178 0.000 -0.000 -0.000 3/46137 710.0 0.540 0.540 0.175 0.000 -0.000 -0.000 3/46137 720.0 0.533 0.533 0.173 0.000 -0.000 -0.000 3/46137 730.0 0.525 0.525 0.170 0.000 -0.000 -0.000 3/46137 740.0 0.518 0.518 0.168 0.000 -0.000 -0.000 3/46137 750.0 0.511 0.511 0.166 0.000 -0.000 -0.000 3/46137 760.0 0.505 0.505 0.164 0.000 -0.000 -0.000 3/46137 770.0 0.498 0.498 0.162 0.000 -0.000 -0.000 3/46137 780.0 0.492 0.492 0.160 0.000 -0.000 -0.000 3/46137 790.0 0.486 0.486 0.158 0.000 -0.000 -0.000 3/46137 800.0 0.480 0.480 0.156 0.000 -0.000 -0.000 3/46137 810.0 0.474 0.474 0.154 0.000 -0.000 -0.000 3/46137 820.0 0.468 0.468 0.152 0.000 -0.000 -0.000 3/46137 830.0 0.463 0.463 0.150 0.000 -0.000 -0.000 3/46137 840.0 0.457 0.457 0.148 0.000 -0.000 -0.000 3/46137 850.0 0.452 0.452 0.147 0.000 -0.000 -0.000 3/46137 860.0 0.446 0.446 0.145 0.000 -0.000 -0.000 3/46137 870.0 0.441 0.441 0.143 0.000 -0.000 -0.000 3/46137 880.0 0.436 0.436 0.142 0.000 -0.000 -0.000 3/46137 890.0 0.432 0.432 0.140 0.000 -0.000 -0.000 3/46137 900.0 0.427 0.427 0.139 0.000 -0.000 -0.000 3/46137 910.0 0.422 0.422 0.137 0.000 -0.000 -0.000 3/46137 920.0 0.418 0.418 0.136 0.000 -0.000 -0.000 3/46137 930.0 0.413 0.413 0.134 0.000 -0.000 -0.000 3/46137 940.0 0.409 0.409 0.133 0.000 -0.000 -0.000 3/46137 950.0 0.404 0.404 0.131 0.000 -0.000 -0.000 3/46137 960.0 0.400 0.400 0.130 0.000 -0.000 -0.000 3/46137 970.0 0.396 0.396 0.129 0.000 -0.000 -0.000 3/46137 980.0 0.392 0.392 0.127 0.000 -0.000 -0.000 3/46137 990.0 0.388 0.388 0.126 0.000 -0.000 -0.000 3/46137 1000.0 0.384 0.384 0.125 0.000 -0.000 -0.000 3/46137Thermal conductivity related properties were written into "kappa-m131313.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 06:40:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|