# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/db21955f-78ed-411c-bda2-23527e94fe53/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 Er2TeO2 / P6_3/mmc (194) / materials id 754469](https://mdr.nims.go.jp/datasets/59d0ca37-3cbb-4c53-8ab9-65662c967d41) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 23:26:34]-------------------------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: [3 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mmc (194)Number of symmetry operations in supercell: 216------------------------------ primitive cell ------------------------------Lattice vectors: a 3.819459008155317 0.000000000000000 0.000000000000000 b -1.909729504077658 3.307748529775819 0.000000000000000 c 0.000000000000000 0.000000000000000 14.148995449999999Atomic positions (fractional): *1 Er 0.66666666666667 0.33333333333333 0.90257562462044 167.259 2 Er 0.66666666666667 0.33333333333333 0.59742437537956 167.259 3 Er 0.33333333333333 0.66666666666667 0.40257562462044 167.259 4 Er 0.33333333333333 0.66666666666667 0.09742437537956 167.259 *5 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 6 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 *7 O 0.66666666666667 0.33333333333333 0.06022983416668 15.999 8 O 0.66666666666667 0.33333333333333 0.43977016583332 15.999 9 O 0.33333333333333 0.66666666666667 0.93977016583332 15.999 10 O 0.33333333333333 0.66666666666667 0.56022983416668 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.819459008155317 0.000000000000000 0.000000000000000 b -1.909729504077658 3.307748529775819 0.000000000000000 c 0.000000000000000 0.000000000000000 14.148995449999999Atomic positions (fractional): *1 Er 0.66666666666667 0.33333333333333 0.90257562462044 167.259 > 1 2 Er 0.66666666666667 0.33333333333333 0.59742437537956 167.259 > 2 3 Er 0.33333333333333 0.66666666666667 0.40257562462044 167.259 > 3 4 Er 0.33333333333333 0.66666666666667 0.09742437537956 167.259 > 4 *5 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 > 5 6 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 > 6 *7 O 0.66666666666667 0.33333333333333 0.06022983416668 15.999 > 7 8 O 0.66666666666667 0.33333333333333 0.43977016583332 15.999 > 8 9 O 0.33333333333333 0.66666666666667 0.93977016583332 15.999 > 9 10 O 0.33333333333333 0.66666666666667 0.56022983416668 15.999 > 10-------------------------------- super cell --------------------------------Lattice vectors: a 11.458377024465952 0.000000000000000 0.000000000000000 b -5.729188512232974 9.923245589327458 0.000000000000000 c 0.000000000000000 0.000000000000000 14.148995449999999Atomic positions (fractional): *1 Er 0.22222222222222 0.11111111111111 0.90257562462044 167.259 > 1 2 Er 0.55555555555556 0.11111111111111 0.90257562462044 167.259 > 1 3 Er 0.88888888888889 0.11111111111111 0.90257562462044 167.259 > 1 4 Er 0.22222222222222 0.44444444444444 0.90257562462044 167.259 > 1 5 Er 0.55555555555556 0.44444444444444 0.90257562462044 167.259 > 1 6 Er 0.88888888888889 0.44444444444444 0.90257562462044 167.259 > 1 7 Er 0.22222222222222 0.77777777777778 0.90257562462044 167.259 > 1 8 Er 0.55555555555556 0.77777777777778 0.90257562462044 167.259 > 1 9 Er 0.88888888888889 0.77777777777778 0.90257562462044 167.259 > 1 10 Er 0.22222222222222 0.11111111111111 0.59742437537956 167.259 > 2 11 Er 0.55555555555556 0.11111111111111 0.59742437537956 167.259 > 2 12 Er 0.88888888888889 0.11111111111111 0.59742437537956 167.259 > 2 13 Er 0.22222222222222 0.44444444444444 0.59742437537956 167.259 > 2 14 Er 0.55555555555556 0.44444444444444 0.59742437537956 167.259 > 2 15 Er 0.88888888888889 0.44444444444444 0.59742437537956 167.259 > 2 16 Er 0.22222222222222 0.77777777777778 0.59742437537956 167.259 > 2 17 Er 0.55555555555556 0.77777777777778 0.59742437537956 167.259 > 2 18 Er 0.88888888888889 0.77777777777778 0.59742437537956 167.259 > 2 19 Er 0.11111111111111 0.22222222222222 0.40257562462044 167.259 > 3 20 Er 0.44444444444444 0.22222222222222 0.40257562462044 167.259 > 3 21 Er 0.77777777777778 0.22222222222222 0.40257562462044 167.259 > 3 22 Er 0.11111111111111 0.55555555555556 0.40257562462044 167.259 > 3 23 Er 0.44444444444444 0.55555555555556 0.40257562462044 167.259 > 3 24 Er 0.77777777777778 0.55555555555556 0.40257562462044 167.259 > 3 25 Er 0.11111111111111 0.88888888888889 0.40257562462044 167.259 > 3 26 Er 0.44444444444444 0.88888888888889 0.40257562462044 167.259 > 3 27 Er 0.77777777777778 0.88888888888889 0.40257562462044 167.259 > 3 28 Er 0.11111111111111 0.22222222222222 0.09742437537956 167.259 > 4 29 Er 0.44444444444444 0.22222222222222 0.09742437537956 167.259 > 4 30 Er 0.77777777777778 0.22222222222222 0.09742437537956 167.259 > 4 31 Er 0.11111111111111 0.55555555555556 0.09742437537956 167.259 > 4 32 Er 0.44444444444444 0.55555555555556 0.09742437537956 167.259 > 4 33 Er 0.77777777777778 0.55555555555556 0.09742437537956 167.259 > 4 34 Er 0.11111111111111 0.88888888888889 0.09742437537956 167.259 > 4 35 Er 0.44444444444444 0.88888888888889 0.09742437537956 167.259 > 4 36 Er 0.77777777777778 0.88888888888889 0.09742437537956 167.259 > 4 *37 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 > 5 38 Te 0.33333333333333 0.00000000000000 0.25000000000000 127.600 > 5 39 Te 0.66666666666667 0.00000000000000 0.25000000000000 127.600 > 5 40 Te 0.00000000000000 0.33333333333333 0.25000000000000 127.600 > 5 41 Te 0.33333333333333 0.33333333333333 0.25000000000000 127.600 > 5 42 Te 0.66666666666667 0.33333333333333 0.25000000000000 127.600 > 5 43 Te 0.00000000000000 0.66666666666667 0.25000000000000 127.600 > 5 44 Te 0.33333333333333 0.66666666666667 0.25000000000000 127.600 > 5 45 Te 0.66666666666667 0.66666666666667 0.25000000000000 127.600 > 5 46 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 > 6 47 Te 0.33333333333333 0.00000000000000 0.75000000000000 127.600 > 6 48 Te 0.66666666666667 0.00000000000000 0.75000000000000 127.600 > 6 49 Te 0.00000000000000 0.33333333333333 0.75000000000000 127.600 > 6 50 Te 0.33333333333333 0.33333333333333 0.75000000000000 127.600 > 6 51 Te 0.66666666666667 0.33333333333333 0.75000000000000 127.600 > 6 52 Te 0.00000000000000 0.66666666666667 0.75000000000000 127.600 > 6 53 Te 0.33333333333333 0.66666666666667 0.75000000000000 127.600 > 6 54 Te 0.66666666666667 0.66666666666667 0.75000000000000 127.600 > 6 *55 O 0.22222222222222 0.11111111111111 0.06022983416668 15.999 > 7 56 O 0.55555555555556 0.11111111111111 0.06022983416668 15.999 > 7 57 O 0.88888888888889 0.11111111111111 0.06022983416668 15.999 > 7 58 O 0.22222222222222 0.44444444444444 0.06022983416668 15.999 > 7 59 O 0.55555555555556 0.44444444444444 0.06022983416668 15.999 > 7 60 O 0.88888888888889 0.44444444444444 0.06022983416668 15.999 > 7 61 O 0.22222222222222 0.77777777777778 0.06022983416668 15.999 > 7 62 O 0.55555555555556 0.77777777777778 0.06022983416668 15.999 > 7 63 O 0.88888888888889 0.77777777777778 0.06022983416668 15.999 > 7 64 O 0.22222222222222 0.11111111111111 0.43977016583332 15.999 > 8 65 O 0.55555555555556 0.11111111111111 0.43977016583332 15.999 > 8 66 O 0.88888888888889 0.11111111111111 0.43977016583332 15.999 > 8 67 O 0.22222222222222 0.44444444444444 0.43977016583332 15.999 > 8 68 O 0.55555555555556 0.44444444444444 0.43977016583332 15.999 > 8 69 O 0.88888888888889 0.44444444444444 0.43977016583332 15.999 > 8 70 O 0.22222222222222 0.77777777777778 0.43977016583332 15.999 > 8 71 O 0.55555555555556 0.77777777777778 0.43977016583332 15.999 > 8 72 O 0.88888888888889 0.77777777777778 0.43977016583332 15.999 > 8 73 O 0.11111111111111 0.22222222222222 0.93977016583332 15.999 > 9 74 O 0.44444444444444 0.22222222222222 0.93977016583332 15.999 > 9 75 O 0.77777777777778 0.22222222222222 0.93977016583332 15.999 > 9 76 O 0.11111111111111 0.55555555555556 0.93977016583332 15.999 > 9 77 O 0.44444444444444 0.55555555555556 0.93977016583332 15.999 > 9 78 O 0.77777777777778 0.55555555555556 0.93977016583332 15.999 > 9 79 O 0.11111111111111 0.88888888888889 0.93977016583332 15.999 > 9 80 O 0.44444444444444 0.88888888888889 0.93977016583332 15.999 > 9 81 O 0.77777777777778 0.88888888888889 0.93977016583332 15.999 > 9 82 O 0.11111111111111 0.22222222222222 0.56022983416668 15.999 > 10 83 O 0.44444444444444 0.22222222222222 0.56022983416668 15.999 > 10 84 O 0.77777777777778 0.22222222222222 0.56022983416668 15.999 > 10 85 O 0.11111111111111 0.55555555555556 0.56022983416668 15.999 > 10 86 O 0.44444444444444 0.55555555555556 0.56022983416668 15.999 > 10 87 O 0.77777777777778 0.55555555555556 0.56022983416668 15.999 > 10 88 O 0.11111111111111 0.88888888888889 0.56022983416668 15.999 > 10 89 O 0.44444444444444 0.88888888888889 0.56022983416668 15.999 > 10 90 O 0.77777777777778 0.88888888888889 0.56022983416668 15.999 > 10----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.4865686 0.0000000 0.0000000 -0.0000000 7.4865686 0.0000000 0.0000000 0.0000000 6.9033017-------------------------- Born effective charges -------------------------- 1 Er 3.5529910 0.0000000 0.0000000 -0.0000000 3.5529910 0.0000000 0.0000000 0.0000000 4.6145417 2 Er 3.5529910 0.0000000 0.0000000 -0.0000000 3.5529910 0.0000000 0.0000000 0.0000000 4.6145417 3 Er 3.5529910 0.0000000 0.0000000 -0.0000000 3.5529910 0.0000000 0.0000000 0.0000000 4.6145417 4 Er 3.5529910 0.0000000 0.0000000 -0.0000000 3.5529910 0.0000000 0.0000000 0.0000000 4.6145417 5 Te -1.9252139 -0.0000000 0.0000000 0.0000000 -1.9252139 0.0000000 0.0000000 0.0000000 -2.4367649 6 Te -1.9252139 -0.0000000 0.0000000 0.0000000 -1.9252139 0.0000000 0.0000000 0.0000000 -2.4367649 7 O -2.5903840 -0.0000000 0.0000000 0.0000000 -2.5903840 0.0000000 0.0000000 0.0000000 -3.3961593 8 O -2.5903840 -0.0000000 0.0000000 0.0000000 -2.5903840 0.0000000 0.0000000 0.0000000 -3.3961593 9 O -2.5903840 -0.0000000 0.0000000 0.0000000 -2.5903840 0.0000000 0.0000000 0.0000000 -3.3961593 10 O -2.5903840 -0.0000000 0.0000000 0.0000000 -2.5903840 0.0000000 0.0000000 0.0000000 -3.3961593----------------------------------------------------------------------------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: 270/270Permutation basis: 4395/4395Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 226Number of blocks in projector: 200Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 105Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 57Use standard eigh solver.Tree of FC basis block matrices:- (226, 220), data: False|-- (57, 54), data: True|-- (64, 64), data: True|-- (105, 102), data: True-----Solver_atoms: 1 -- 90 / 90Time (Solver_compr_matrix_reshape): 0.003Solver_block: 80 / 80 - Time: 0.103Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.107--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 270/270Permutation basis: 4395/4395Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 226Number of blocks in projector: 200Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 105Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 64Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 57Use standard eigh solver.Tree of FC basis block matrices:- (226, 220), data: False|-- (57, 54), data: True|-- (64, 64), data: True|-- (105, 102), 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 23:26:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:26:37]-------------------------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): [3 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mmc (194)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.819459008155317 0.000000000000000 0.000000000000000 b -1.909729504077658 3.307748529775819 0.000000000000000 c 0.000000000000000 0.000000000000000 14.148995449999999Atomic positions (fractional): 1 Er 0.66666666666667 0.33333333333333 0.90257562462044 167.259 2 Er 0.66666666666667 0.33333333333333 0.59742437537956 167.259 3 Er 0.33333333333333 0.66666666666667 0.40257562462044 167.259 4 Er 0.33333333333333 0.66666666666667 0.09742437537956 167.259 5 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 6 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 7 O 0.66666666666667 0.33333333333333 0.06022983416668 15.999 8 O 0.66666666666667 0.33333333333333 0.43977016583332 15.999 9 O 0.33333333333333 0.66666666666667 0.93977016583332 15.999 10 O 0.33333333333333 0.66666666666667 0.56022983416668 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.458377024465952 0.000000000000000 0.000000000000000 b -5.729188512232974 9.923245589327458 0.000000000000000 c 0.000000000000000 0.000000000000000 14.148995449999999Atomic positions (fractional): 1 Er 0.22222222222222 0.11111111111111 0.90257562462044 167.259 > 1 2 Er 0.55555555555556 0.11111111111111 0.90257562462044 167.259 > 1 3 Er 0.88888888888889 0.11111111111111 0.90257562462044 167.259 > 1 4 Er 0.22222222222222 0.44444444444444 0.90257562462044 167.259 > 1 5 Er 0.55555555555556 0.44444444444444 0.90257562462044 167.259 > 1 6 Er 0.88888888888889 0.44444444444444 0.90257562462044 167.259 > 1 7 Er 0.22222222222222 0.77777777777778 0.90257562462044 167.259 > 1 8 Er 0.55555555555556 0.77777777777778 0.90257562462044 167.259 > 1 9 Er 0.88888888888889 0.77777777777778 0.90257562462044 167.259 > 1 10 Er 0.22222222222222 0.11111111111111 0.59742437537956 167.259 > 10 11 Er 0.55555555555556 0.11111111111111 0.59742437537956 167.259 > 10 12 Er 0.88888888888889 0.11111111111111 0.59742437537956 167.259 > 10 13 Er 0.22222222222222 0.44444444444444 0.59742437537956 167.259 > 10 14 Er 0.55555555555556 0.44444444444444 0.59742437537956 167.259 > 10 15 Er 0.88888888888889 0.44444444444444 0.59742437537956 167.259 > 10 16 Er 0.22222222222222 0.77777777777778 0.59742437537956 167.259 > 10 17 Er 0.55555555555556 0.77777777777778 0.59742437537956 167.259 > 10 18 Er 0.88888888888889 0.77777777777778 0.59742437537956 167.259 > 10 19 Er 0.11111111111111 0.22222222222222 0.40257562462044 167.259 > 19 20 Er 0.44444444444444 0.22222222222222 0.40257562462044 167.259 > 19 21 Er 0.77777777777778 0.22222222222222 0.40257562462044 167.259 > 19 22 Er 0.11111111111111 0.55555555555556 0.40257562462044 167.259 > 19 23 Er 0.44444444444444 0.55555555555556 0.40257562462044 167.259 > 19 24 Er 0.77777777777778 0.55555555555556 0.40257562462044 167.259 > 19 25 Er 0.11111111111111 0.88888888888889 0.40257562462044 167.259 > 19 26 Er 0.44444444444444 0.88888888888889 0.40257562462044 167.259 > 19 27 Er 0.77777777777778 0.88888888888889 0.40257562462044 167.259 > 19 28 Er 0.11111111111111 0.22222222222222 0.09742437537956 167.259 > 28 29 Er 0.44444444444444 0.22222222222222 0.09742437537956 167.259 > 28 30 Er 0.77777777777778 0.22222222222222 0.09742437537956 167.259 > 28 31 Er 0.11111111111111 0.55555555555556 0.09742437537956 167.259 > 28 32 Er 0.44444444444444 0.55555555555556 0.09742437537956 167.259 > 28 33 Er 0.77777777777778 0.55555555555556 0.09742437537956 167.259 > 28 34 Er 0.11111111111111 0.88888888888889 0.09742437537956 167.259 > 28 35 Er 0.44444444444444 0.88888888888889 0.09742437537956 167.259 > 28 36 Er 0.77777777777778 0.88888888888889 0.09742437537956 167.259 > 28 37 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 > 37 38 Te 0.33333333333333 0.00000000000000 0.25000000000000 127.600 > 37 39 Te 0.66666666666667 0.00000000000000 0.25000000000000 127.600 > 37 40 Te 0.00000000000000 0.33333333333333 0.25000000000000 127.600 > 37 41 Te 0.33333333333333 0.33333333333333 0.25000000000000 127.600 > 37 42 Te 0.66666666666667 0.33333333333333 0.25000000000000 127.600 > 37 43 Te 0.00000000000000 0.66666666666667 0.25000000000000 127.600 > 37 44 Te 0.33333333333333 0.66666666666667 0.25000000000000 127.600 > 37 45 Te 0.66666666666667 0.66666666666667 0.25000000000000 127.600 > 37 46 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 > 46 47 Te 0.33333333333333 0.00000000000000 0.75000000000000 127.600 > 46 48 Te 0.66666666666667 0.00000000000000 0.75000000000000 127.600 > 46 49 Te 0.00000000000000 0.33333333333333 0.75000000000000 127.600 > 46 50 Te 0.33333333333333 0.33333333333333 0.75000000000000 127.600 > 46 51 Te 0.66666666666667 0.33333333333333 0.75000000000000 127.600 > 46 52 Te 0.00000000000000 0.66666666666667 0.75000000000000 127.600 > 46 53 Te 0.33333333333333 0.66666666666667 0.75000000000000 127.600 > 46 54 Te 0.66666666666667 0.66666666666667 0.75000000000000 127.600 > 46 55 O 0.22222222222222 0.11111111111111 0.06022983416668 15.999 > 55 56 O 0.55555555555556 0.11111111111111 0.06022983416668 15.999 > 55 57 O 0.88888888888889 0.11111111111111 0.06022983416668 15.999 > 55 58 O 0.22222222222222 0.44444444444444 0.06022983416668 15.999 > 55 59 O 0.55555555555556 0.44444444444444 0.06022983416668 15.999 > 55 60 O 0.88888888888889 0.44444444444444 0.06022983416668 15.999 > 55 61 O 0.22222222222222 0.77777777777778 0.06022983416668 15.999 > 55 62 O 0.55555555555556 0.77777777777778 0.06022983416668 15.999 > 55 63 O 0.88888888888889 0.77777777777778 0.06022983416668 15.999 > 55 64 O 0.22222222222222 0.11111111111111 0.43977016583332 15.999 > 64 65 O 0.55555555555556 0.11111111111111 0.43977016583332 15.999 > 64 66 O 0.88888888888889 0.11111111111111 0.43977016583332 15.999 > 64 67 O 0.22222222222222 0.44444444444444 0.43977016583332 15.999 > 64 68 O 0.55555555555556 0.44444444444444 0.43977016583332 15.999 > 64 69 O 0.88888888888889 0.44444444444444 0.43977016583332 15.999 > 64 70 O 0.22222222222222 0.77777777777778 0.43977016583332 15.999 > 64 71 O 0.55555555555556 0.77777777777778 0.43977016583332 15.999 > 64 72 O 0.88888888888889 0.77777777777778 0.43977016583332 15.999 > 64 73 O 0.11111111111111 0.22222222222222 0.93977016583332 15.999 > 73 74 O 0.44444444444444 0.22222222222222 0.93977016583332 15.999 > 73 75 O 0.77777777777778 0.22222222222222 0.93977016583332 15.999 > 73 76 O 0.11111111111111 0.55555555555556 0.93977016583332 15.999 > 73 77 O 0.44444444444444 0.55555555555556 0.93977016583332 15.999 > 73 78 O 0.77777777777778 0.55555555555556 0.93977016583332 15.999 > 73 79 O 0.11111111111111 0.88888888888889 0.93977016583332 15.999 > 73 80 O 0.44444444444444 0.88888888888889 0.93977016583332 15.999 > 73 81 O 0.77777777777778 0.88888888888889 0.93977016583332 15.999 > 73 82 O 0.11111111111111 0.22222222222222 0.56022983416668 15.999 > 82 83 O 0.44444444444444 0.22222222222222 0.56022983416668 15.999 > 82 84 O 0.77777777777778 0.22222222222222 0.56022983416668 15.999 > 82 85 O 0.11111111111111 0.55555555555556 0.56022983416668 15.999 > 82 86 O 0.44444444444444 0.55555555555556 0.56022983416668 15.999 > 82 87 O 0.77777777777778 0.55555555555556 0.56022983416668 15.999 > 82 88 O 0.11111111111111 0.88888888888889 0.56022983416668 15.999 > 82 89 O 0.44444444444444 0.88888888888889 0.56022983416668 15.999 > 82 90 O 0.77777777777778 0.88888888888889 0.56022983416668 15.999 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.4865686 0.0000000 0.0000000 -0.0000000 7.4865686 0.0000000 0.0000000 0.0000000 6.9033017-------------------------- Born effective charges -------------------------- 1 Er 3.5529910 0.0000000 0.0000000 -0.0000000 3.5529910 0.0000000 0.0000000 0.0000000 4.6145417 2 Er 3.5529910 0.0000000 0.0000000 -0.0000000 3.5529910 0.0000000 0.0000000 0.0000000 4.6145417 3 Er 3.5529910 0.0000000 0.0000000 -0.0000000 3.5529910 0.0000000 0.0000000 0.0000000 4.6145417 4 Er 3.5529910 0.0000000 0.0000000 -0.0000000 3.5529910 0.0000000 0.0000000 0.0000000 4.6145417 5 Te -1.9252139 -0.0000000 0.0000000 0.0000000 -1.9252139 0.0000000 0.0000000 0.0000000 -2.4367649 6 Te -1.9252139 -0.0000000 0.0000000 0.0000000 -1.9252139 0.0000000 0.0000000 0.0000000 -2.4367649 7 O -2.5903840 -0.0000000 0.0000000 0.0000000 -2.5903840 0.0000000 0.0000000 0.0000000 -3.3961593 8 O -2.5903840 -0.0000000 0.0000000 0.0000000 -2.5903840 0.0000000 0.0000000 0.0000000 -3.3961593 9 O -2.5903840 -0.0000000 0.0000000 0.0000000 -2.5903840 0.0000000 0.0000000 0.0000000 -3.3961593 10 O -2.5903840 -0.0000000 0.0000000 0.0000000 -2.5903840 0.0000000 0.0000000 0.0000000 -3.3961593----------------------------------------------------------------------------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[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 55, 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: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)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 23:26:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:26:43]-------------------------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): [3 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mmc (194)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.819459008155317 0.000000000000000 0.000000000000000 b -1.909729504077658 3.307748529775819 0.000000000000000 c 0.000000000000000 0.000000000000000 14.148995449999999Atomic positions (fractional): 1 Er 0.66666666666667 0.33333333333333 0.90257562462044 167.259 2 Er 0.66666666666667 0.33333333333333 0.59742437537956 167.259 3 Er 0.33333333333333 0.66666666666667 0.40257562462044 167.259 4 Er 0.33333333333333 0.66666666666667 0.09742437537956 167.259 5 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 6 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 7 O 0.66666666666667 0.33333333333333 0.06022983416668 15.999 8 O 0.66666666666667 0.33333333333333 0.43977016583332 15.999 9 O 0.33333333333333 0.66666666666667 0.93977016583332 15.999 10 O 0.33333333333333 0.66666666666667 0.56022983416668 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.458377024465952 0.000000000000000 0.000000000000000 b -5.729188512232974 9.923245589327458 0.000000000000000 c 0.000000000000000 0.000000000000000 14.148995449999999Atomic positions (fractional): 1 Er 0.22222222222222 0.11111111111111 0.90257562462044 167.259 > 1 2 Er 0.55555555555556 0.11111111111111 0.90257562462044 167.259 > 1 3 Er 0.88888888888889 0.11111111111111 0.90257562462044 167.259 > 1 4 Er 0.22222222222222 0.44444444444444 0.90257562462044 167.259 > 1 5 Er 0.55555555555556 0.44444444444444 0.90257562462044 167.259 > 1 6 Er 0.88888888888889 0.44444444444444 0.90257562462044 167.259 > 1 7 Er 0.22222222222222 0.77777777777778 0.90257562462044 167.259 > 1 8 Er 0.55555555555556 0.77777777777778 0.90257562462044 167.259 > 1 9 Er 0.88888888888889 0.77777777777778 0.90257562462044 167.259 > 1 10 Er 0.22222222222222 0.11111111111111 0.59742437537956 167.259 > 10 11 Er 0.55555555555556 0.11111111111111 0.59742437537956 167.259 > 10 12 Er 0.88888888888889 0.11111111111111 0.59742437537956 167.259 > 10 13 Er 0.22222222222222 0.44444444444444 0.59742437537956 167.259 > 10 14 Er 0.55555555555556 0.44444444444444 0.59742437537956 167.259 > 10 15 Er 0.88888888888889 0.44444444444444 0.59742437537956 167.259 > 10 16 Er 0.22222222222222 0.77777777777778 0.59742437537956 167.259 > 10 17 Er 0.55555555555556 0.77777777777778 0.59742437537956 167.259 > 10 18 Er 0.88888888888889 0.77777777777778 0.59742437537956 167.259 > 10 19 Er 0.11111111111111 0.22222222222222 0.40257562462044 167.259 > 19 20 Er 0.44444444444444 0.22222222222222 0.40257562462044 167.259 > 19 21 Er 0.77777777777778 0.22222222222222 0.40257562462044 167.259 > 19 22 Er 0.11111111111111 0.55555555555556 0.40257562462044 167.259 > 19 23 Er 0.44444444444444 0.55555555555556 0.40257562462044 167.259 > 19 24 Er 0.77777777777778 0.55555555555556 0.40257562462044 167.259 > 19 25 Er 0.11111111111111 0.88888888888889 0.40257562462044 167.259 > 19 26 Er 0.44444444444444 0.88888888888889 0.40257562462044 167.259 > 19 27 Er 0.77777777777778 0.88888888888889 0.40257562462044 167.259 > 19 28 Er 0.11111111111111 0.22222222222222 0.09742437537956 167.259 > 28 29 Er 0.44444444444444 0.22222222222222 0.09742437537956 167.259 > 28 30 Er 0.77777777777778 0.22222222222222 0.09742437537956 167.259 > 28 31 Er 0.11111111111111 0.55555555555556 0.09742437537956 167.259 > 28 32 Er 0.44444444444444 0.55555555555556 0.09742437537956 167.259 > 28 33 Er 0.77777777777778 0.55555555555556 0.09742437537956 167.259 > 28 34 Er 0.11111111111111 0.88888888888889 0.09742437537956 167.259 > 28 35 Er 0.44444444444444 0.88888888888889 0.09742437537956 167.259 > 28 36 Er 0.77777777777778 0.88888888888889 0.09742437537956 167.259 > 28 37 Te 0.00000000000000 0.00000000000000 0.25000000000000 127.600 > 37 38 Te 0.33333333333333 0.00000000000000 0.25000000000000 127.600 > 37 39 Te 0.66666666666667 0.00000000000000 0.25000000000000 127.600 > 37 40 Te 0.00000000000000 0.33333333333333 0.25000000000000 127.600 > 37 41 Te 0.33333333333333 0.33333333333333 0.25000000000000 127.600 > 37 42 Te 0.66666666666667 0.33333333333333 0.25000000000000 127.600 > 37 43 Te 0.00000000000000 0.66666666666667 0.25000000000000 127.600 > 37 44 Te 0.33333333333333 0.66666666666667 0.25000000000000 127.600 > 37 45 Te 0.66666666666667 0.66666666666667 0.25000000000000 127.600 > 37 46 Te 0.00000000000000 0.00000000000000 0.75000000000000 127.600 > 46 47 Te 0.33333333333333 0.00000000000000 0.75000000000000 127.600 > 46 48 Te 0.66666666666667 0.00000000000000 0.75000000000000 127.600 > 46 49 Te 0.00000000000000 0.33333333333333 0.75000000000000 127.600 > 46 50 Te 0.33333333333333 0.33333333333333 0.75000000000000 127.600 > 46 51 Te 0.66666666666667 0.33333333333333 0.75000000000000 127.600 > 46 52 Te 0.00000000000000 0.66666666666667 0.75000000000000 127.600 > 46 53 Te 0.33333333333333 0.66666666666667 0.75000000000000 127.600 > 46 54 Te 0.66666666666667 0.66666666666667 0.75000000000000 127.600 > 46 55 O 0.22222222222222 0.11111111111111 0.06022983416668 15.999 > 55 56 O 0.55555555555556 0.11111111111111 0.06022983416668 15.999 > 55 57 O 0.88888888888889 0.11111111111111 0.06022983416668 15.999 > 55 58 O 0.22222222222222 0.44444444444444 0.06022983416668 15.999 > 55 59 O 0.55555555555556 0.44444444444444 0.06022983416668 15.999 > 55 60 O 0.88888888888889 0.44444444444444 0.06022983416668 15.999 > 55 61 O 0.22222222222222 0.77777777777778 0.06022983416668 15.999 > 55 62 O 0.55555555555556 0.77777777777778 0.06022983416668 15.999 > 55 63 O 0.88888888888889 0.77777777777778 0.06022983416668 15.999 > 55 64 O 0.22222222222222 0.11111111111111 0.43977016583332 15.999 > 64 65 O 0.55555555555556 0.11111111111111 0.43977016583332 15.999 > 64 66 O 0.88888888888889 0.11111111111111 0.43977016583332 15.999 > 64 67 O 0.22222222222222 0.44444444444444 0.43977016583332 15.999 > 64 68 O 0.55555555555556 0.44444444444444 0.43977016583332 15.999 > 64 69 O 0.88888888888889 0.44444444444444 0.43977016583332 15.999 > 64 70 O 0.22222222222222 0.77777777777778 0.43977016583332 15.999 > 64 71 O 0.55555555555556 0.77777777777778 0.43977016583332 15.999 > 64 72 O 0.88888888888889 0.77777777777778 0.43977016583332 15.999 > 64 73 O 0.11111111111111 0.22222222222222 0.93977016583332 15.999 > 73 74 O 0.44444444444444 0.22222222222222 0.93977016583332 15.999 > 73 75 O 0.77777777777778 0.22222222222222 0.93977016583332 15.999 > 73 76 O 0.11111111111111 0.55555555555556 0.93977016583332 15.999 > 73 77 O 0.44444444444444 0.55555555555556 0.93977016583332 15.999 > 73 78 O 0.77777777777778 0.55555555555556 0.93977016583332 15.999 > 73 79 O 0.11111111111111 0.88888888888889 0.93977016583332 15.999 > 73 80 O 0.44444444444444 0.88888888888889 0.93977016583332 15.999 > 73 81 O 0.77777777777778 0.88888888888889 0.93977016583332 15.999 > 73 82 O 0.11111111111111 0.22222222222222 0.56022983416668 15.999 > 82 83 O 0.44444444444444 0.22222222222222 0.56022983416668 15.999 > 82 84 O 0.77777777777778 0.22222222222222 0.56022983416668 15.999 > 82 85 O 0.11111111111111 0.55555555555556 0.56022983416668 15.999 > 82 86 O 0.44444444444444 0.55555555555556 0.56022983416668 15.999 > 82 87 O 0.77777777777778 0.55555555555556 0.56022983416668 15.999 > 82 88 O 0.11111111111111 0.88888888888889 0.56022983416668 15.999 > 82 89 O 0.44444444444444 0.88888888888889 0.56022983416668 15.999 > 82 90 O 0.77777777777778 0.88888888888889 0.56022983416668 15.999 > 82----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.4865686 0.0000000 0.0000000 -0.0000000 7.4865686 0.0000000 0.0000000 0.0000000 6.9033017-------------------------- Born effective charges -------------------------- 1 Er 3.5529910 0.0000000 0.0000000 -0.0000000 3.5529910 0.0000000 0.0000000 0.0000000 4.6145417 2 Er 3.5529910 0.0000000 0.0000000 -0.0000000 3.5529910 0.0000000 0.0000000 0.0000000 4.6145417 3 Er 3.5529910 0.0000000 0.0000000 -0.0000000 3.5529910 0.0000000 0.0000000 0.0000000 4.6145417 4 Er 3.5529910 0.0000000 0.0000000 -0.0000000 3.5529910 0.0000000 0.0000000 0.0000000 4.6145417 5 Te -1.9252139 -0.0000000 0.0000000 0.0000000 -1.9252139 0.0000000 0.0000000 0.0000000 -2.4367649 6 Te -1.9252139 -0.0000000 0.0000000 0.0000000 -1.9252139 0.0000000 0.0000000 0.0000000 -2.4367649 7 O -2.5903840 -0.0000000 0.0000000 0.0000000 -2.5903840 0.0000000 0.0000000 0.0000000 -3.3961593 8 O -2.5903840 -0.0000000 0.0000000 0.0000000 -2.5903840 0.0000000 0.0000000 0.0000000 -3.3961593 9 O -2.5903840 -0.0000000 0.0000000 0.0000000 -2.5903840 0.0000000 0.0000000 0.0000000 -3.3961593 10 O -2.5903840 -0.0000000 0.0000000 0.0000000 -2.5903840 0.0000000 0.0000000 0.0000000 -3.3961593----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz)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 ... [ 15 15 4 ]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: 0.74, Number of G-points: 291, Lambda: 0.21Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/81) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.942 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 3.614 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 5.674 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 10.080 ( 0.000 0.000 0.000) 0.000 10.080 ( 0.000 0.000 0.000) 0.000 10.200 ( 0.000 0.000 0.000) 0.000 10.200 ( 0.000 0.000 0.000) 0.000 11.988 ( 0.000 0.000 0.000) 0.000 11.988 ( 0.000 0.000 0.000) 0.000 12.134 ( 0.000 0.000 0.000) 0.000 12.134 ( 0.000 0.000 0.000) 0.000 12.182 ( 0.000 0.000 0.000) 0.000 13.732 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 0.000 0.000) 0.000 16.492 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/81) =======================q-point: ( 0.07 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.473 ( 20.036 11.568 0.000) 23.135 0.581 ( 24.634 14.222 0.000) 28.444 0.881 ( 37.597 21.707 0.000) 43.413 1.754 ( 3.179 1.836 0.000) 3.671 1.808 ( 7.378 4.259 0.000) 8.519 2.090 ( -0.520 -0.300 0.000) 0.600 2.139 ( 3.322 1.918 0.000) 3.836 3.046 ( 1.464 0.845 0.000) 1.690 3.065 ( 10.011 5.780 0.000) 11.560 3.127 ( 8.075 4.662 0.000) 9.324 3.355 ( 1.009 0.582 0.000) 1.165 3.628 ( 1.183 0.683 0.000) 1.365 3.631 ( 4.164 2.404 0.000) 4.808 3.652 ( 2.398 1.385 0.000) 2.769 3.722 ( 7.276 4.201 0.000) 8.401 4.482 ( -1.662 -0.960 0.000) 1.920 5.634 ( -3.306 -1.908 0.000) 3.817 5.971 ( -19.083 -11.018 0.000) 22.036 10.057 ( -2.139 -1.235 0.000) 2.470 10.139 ( -5.180 -2.991 0.000) 5.981 10.413 ( 14.749 8.516 0.000) 17.031 11.684 ( -19.230 -11.102 0.000) 22.205 11.861 ( -10.661 -6.155 0.000) 12.311 12.007 ( 1.665 0.961 0.000) 1.922 12.130 ( -0.246 -0.142 0.000) 0.284 12.641 ( 20.224 11.677 0.000) 23.353 12.839 ( -6.263 -3.616 0.000) 7.232 13.805 ( 5.894 3.403 0.000) 6.806 13.946 ( 7.826 4.518 0.000) 9.036 16.176 ( -24.306 -14.033 0.000) 28.066======================= Grid point 2 (3/81) =======================q-point: ( 0.13 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( 18.784 10.845 0.000) 21.690 1.140 ( 23.262 13.430 0.000) 26.861 1.742 ( 36.179 20.888 0.000) 41.775 1.864 ( 6.225 3.594 0.000) 7.188 2.036 ( 11.740 6.778 0.000) 13.556 2.092 ( 1.095 0.632 0.000) 1.265 2.247 ( 5.781 3.337 0.000) 6.675 3.098 ( 3.116 1.799 0.000) 3.598 3.370 ( 15.281 8.822 0.000) 17.645 3.373 ( 12.149 7.014 0.000) 14.029 3.389 ( 1.797 1.038 0.000) 2.075 3.669 ( 2.282 1.318 0.000) 2.635 3.717 ( 2.936 1.695 0.000) 3.390 3.774 ( 8.059 4.653 0.000) 9.306 3.961 ( 12.624 7.289 0.000) 14.577 4.433 ( -2.246 -1.297 0.000) 2.593 5.510 ( -18.215 -10.516 0.000) 21.032 5.531 ( -5.160 -2.979 0.000) 5.959 9.965 ( -9.585 -5.534 0.000) 11.068 9.969 ( -5.668 -3.273 0.000) 6.545 10.713 ( 8.543 4.932 0.000) 9.864 11.289 ( -13.873 -8.010 0.000) 16.020 11.514 ( -18.317 -10.575 0.000) 21.151 12.065 ( 3.248 1.875 0.000) 3.751 12.130 ( 0.494 0.285 0.000) 0.571 12.639 ( -10.876 -6.279 0.000) 12.559 13.084 ( 17.409 10.051 0.000) 20.103 13.978 ( 8.299 4.791 0.000) 9.583 14.157 ( 9.354 5.400 0.000) 10.801 15.554 ( -25.227 -14.565 0.000) 29.130======================= Grid point 3 (4/81) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.342 ( 16.798 9.699 0.000) 19.397 1.659 ( 21.249 12.268 0.000) 24.536 2.040 ( 8.685 5.014 0.000) 10.029 2.139 ( 3.547 2.048 0.000) 4.095 2.337 ( 13.886 8.017 0.000) 16.034 2.398 ( 6.986 4.033 0.000) 8.067 2.565 ( 33.698 19.455 0.000) 38.911 3.191 ( 4.763 2.750 0.000) 5.500 3.436 ( 2.155 1.244 0.000) 2.488 3.636 ( 9.215 5.321 0.000) 10.641 3.733 ( 3.200 1.848 0.000) 3.695 3.739 ( 15.747 9.092 0.000) 18.184 3.772 ( 1.500 0.866 0.000) 1.732 3.994 ( 10.289 5.941 0.000) 11.881 4.284 ( 14.597 8.427 0.000) 16.855 4.400 ( 0.097 0.056 0.000) 0.113 5.172 ( -10.521 -6.074 0.000) 12.148 5.416 ( -4.165 -2.405 0.000) 4.809 9.705 ( -12.402 -7.160 0.000) 14.320 9.783 ( -10.477 -6.049 0.000) 12.098 10.751 ( -4.636 -2.677 0.000) 5.354 11.060 ( -19.482 -11.248 0.000) 22.495 11.081 ( -4.311 -2.489 0.000) 4.977 12.154 ( 4.334 2.502 0.000) 5.005 12.162 ( 2.307 1.332 0.000) 2.663 12.341 ( -14.396 -8.312 0.000) 16.623 13.436 ( 12.617 7.285 0.000) 14.569 14.171 ( 8.079 4.665 0.000) 9.329 14.346 ( 6.297 3.636 0.000) 7.272 15.108 ( -12.551 -7.246 0.000) 14.492======================= Grid point 4 (5/81) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 14.159 8.174 0.000) 16.349 2.125 ( 18.674 10.782 0.000) 21.563 2.252 ( 6.229 3.597 0.000) 7.193 2.258 ( 9.800 5.658 0.000) 11.316 2.563 ( 7.002 4.043 0.000) 8.085 2.672 ( 14.704 8.490 0.000) 16.979 3.299 ( 28.677 16.557 0.000) 33.113 3.316 ( 5.890 3.401 0.000) 6.801 3.485 ( 2.024 1.169 0.000) 2.338 3.773 ( 2.726 1.574 0.000) 3.147 3.774 ( -1.346 -0.777 0.000) 1.554 3.815 ( 3.725 2.151 0.000) 4.301 4.078 ( 12.992 7.501 0.000) 15.002 4.187 ( 4.318 2.493 0.000) 4.986 4.481 ( 7.531 4.348 0.000) 8.696 4.611 ( 12.910 7.454 0.000) 14.907 5.022 ( -2.404 -1.388 0.000) 2.776 5.368 ( 0.717 0.414 0.000) 0.827 9.405 ( -13.041 -7.529 0.000) 15.058 9.485 ( -14.773 -8.529 0.000) 17.059 10.610 ( -5.789 -3.342 0.000) 6.685 10.662 ( -13.801 -7.968 0.000) 15.936 10.997 ( -4.136 -2.388 0.000) 4.776 11.984 ( -16.070 -9.278 0.000) 18.556 12.239 ( 4.285 2.474 0.000) 4.948 12.259 ( 4.432 2.559 0.000) 5.118 13.669 ( 7.493 4.326 0.000) 8.652 14.353 ( 7.519 4.341 0.000) 8.682 14.439 ( 1.851 1.069 0.000) 2.138 14.944 ( -2.750 -1.588 0.000) 3.176======================= Grid point 5 (6/81) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.996 ( 10.875 6.278 0.000) 12.557 2.426 ( 8.608 4.970 0.000) 9.940 2.480 ( 8.920 5.150 0.000) 10.300 2.522 ( 15.320 8.845 0.000) 17.690 2.717 ( 6.061 3.499 0.000) 6.998 3.010 ( 14.076 8.127 0.000) 16.254 3.457 ( 5.988 3.457 0.000) 6.914 3.527 ( 1.534 0.886 0.000) 1.771 3.642 ( -4.292 -2.478 0.000) 4.956 3.795 ( -0.165 -0.095 0.000) 0.190 3.901 ( 3.575 2.064 0.000) 4.128 3.940 ( 20.223 11.676 0.000) 23.351 4.189 ( -3.138 -1.812 0.000) 3.623 4.334 ( 8.920 5.150 0.000) 10.300 4.700 ( 9.709 5.605 0.000) 11.211 4.868 ( 9.292 5.365 0.000) 10.729 5.040 ( 3.143 1.814 0.000) 3.629 5.460 ( 6.688 3.861 0.000) 7.723 9.116 ( -11.397 -6.580 0.000) 13.160 9.118 ( -16.174 -9.338 0.000) 18.677 10.439 ( -5.239 -3.025 0.000) 6.050 10.507 ( -3.069 -1.772 0.000) 3.544 10.880 ( -5.682 -3.281 0.000) 6.561 11.601 ( -16.661 -9.619 0.000) 19.239 12.353 ( 5.196 3.000 0.000) 6.000 12.353 ( 3.560 2.055 0.000) 4.111 13.796 ( 3.782 2.183 0.000) 4.367 14.454 ( -0.043 -0.025 0.000) 0.050 14.517 ( 6.483 3.743 0.000) 7.486 14.921 ( -0.149 -0.086 0.000) 0.172======================= Grid point 6 (7/81) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.204 ( 6.908 3.988 0.000) 7.976 2.645 ( 9.903 5.717 0.000) 11.435 2.658 ( 6.101 3.522 0.000) 7.045 2.827 ( 10.579 6.108 0.000) 12.216 2.839 ( 4.276 2.469 0.000) 4.937 3.317 ( 12.069 6.968 0.000) 13.936 3.475 ( -8.705 -5.026 0.000) 10.051 3.555 ( 0.871 0.503 0.000) 1.005 3.584 ( 4.654 2.687 0.000) 5.374 3.785 ( -0.430 -0.248 0.000) 0.496 3.975 ( 2.617 1.511 0.000) 3.022 4.073 ( -6.337 -3.658 0.000) 7.317 4.330 ( 12.262 7.079 0.000) 14.158 4.493 ( 4.812 2.778 0.000) 5.557 4.893 ( 6.509 3.758 0.000) 7.516 5.064 ( 7.659 4.422 0.000) 8.843 5.128 ( 3.705 2.139 0.000) 4.279 5.632 ( 6.983 4.032 0.000) 8.063 8.769 ( -12.907 -7.452 0.000) 14.904 8.890 ( -7.778 -4.491 0.000) 8.981 10.415 ( 2.972 1.716 0.000) 3.432 10.465 ( -0.638 -0.368 0.000) 0.736 10.747 ( -5.387 -3.110 0.000) 6.220 11.216 ( -16.201 -9.354 0.000) 18.708 12.420 ( 2.184 1.261 0.000) 2.522 12.467 ( 4.267 2.463 0.000) 4.927 13.858 ( 1.718 0.992 0.000) 1.984 14.449 ( -0.330 -0.191 0.000) 0.381 14.646 ( 4.413 2.548 0.000) 5.096 14.917 ( -0.288 -0.166 0.000) 0.333======================= Grid point 7 (8/81) =======================q-point: ( 0.47 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.313 ( 2.373 1.370 0.000) 2.740 2.755 ( 2.138 1.235 0.000) 2.469 2.862 ( 7.427 4.288 0.000) 8.576 2.909 ( 1.590 0.918 0.000) 1.836 2.999 ( 3.884 2.242 0.000) 4.484 3.274 ( -7.113 -4.106 0.000) 8.213 3.553 ( 7.194 4.153 0.000) 8.307 3.568 ( 0.257 0.149 0.000) 0.297 3.661 ( 1.790 1.033 0.000) 2.066 3.783 ( 0.438 0.253 0.000) 0.505 3.918 ( -6.045 -3.490 0.000) 6.980 4.017 ( 0.968 0.559 0.000) 1.118 4.516 ( 4.121 2.379 0.000) 4.758 4.560 ( 1.007 0.581 0.000) 1.162 4.996 ( 2.227 1.286 0.000) 2.572 5.192 ( 1.479 0.854 0.000) 1.707 5.202 ( 3.434 1.982 0.000) 3.965 5.750 ( 2.737 1.580 0.000) 3.160 8.554 ( -4.979 -2.875 0.000) 5.749 8.765 ( -2.766 -1.597 0.000) 3.194 10.468 ( 0.499 0.288 0.000) 0.576 10.561 ( 8.939 5.161 0.000) 10.322 10.648 ( -2.657 -1.534 0.000) 3.068 10.864 ( -13.379 -7.724 0.000) 15.449 12.454 ( 0.720 0.416 0.000) 0.832 12.538 ( 1.648 0.951 0.000) 1.903 13.883 ( 0.502 0.290 0.000) 0.580 14.442 ( -0.154 -0.089 0.000) 0.178 14.717 ( 1.561 0.901 0.000) 1.802 14.910 ( -0.215 -0.124 0.000) 0.249======================= Grid point 16 (9/81) =======================q-point: ( 0.07 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( 11.826 20.484 0.000) 23.653 0.993 ( 13.656 23.653 0.000) 27.312 1.505 ( 20.787 36.004 0.000) 41.574 1.832 ( 3.372 5.841 0.000) 6.745 1.962 ( 6.086 10.542 0.000) 12.173 2.081 ( -0.038 -0.066 0.000) 0.076 2.221 ( 3.439 5.957 0.000) 6.878 3.083 ( 1.629 2.822 0.000) 3.258 3.272 ( 7.789 13.491 0.000) 15.578 3.298 ( 6.741 11.675 0.000) 13.481 3.387 ( 1.619 2.804 0.000) 3.238 3.614 ( 0.214 0.371 0.000) 0.428 3.726 ( 4.020 6.963 0.000) 8.040 3.752 ( 2.482 4.299 0.000) 4.965 3.868 ( 6.599 11.430 0.000) 13.198 4.447 ( -1.329 -2.303 0.000) 2.659 5.562 ( -2.853 -4.941 0.000) 5.706 5.628 ( -11.343 -19.647 0.000) 22.687 10.006 ( -2.377 -4.118 0.000) 4.755 10.022 ( -4.894 -8.477 0.000) 9.789 10.652 ( 6.908 11.965 0.000) 13.816 11.372 ( -9.828 -17.023 0.000) 19.657 11.726 ( -7.761 -13.442 0.000) 15.522 11.892 ( -2.937 -5.088 0.000) 5.875 12.136 ( 0.470 0.815 0.000) 0.941 12.751 ( -3.119 -5.403 0.000) 6.238 12.976 ( 10.911 18.899 0.000) 21.823 13.924 ( 4.405 7.630 0.000) 8.811 14.101 ( 5.647 9.782 0.000) 11.295 15.715 ( -15.902 -27.543 0.000) 31.804======================= Grid point 17 (10/81) =======================q-point: ( 0.13 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.243 ( 12.455 19.192 0.000) 22.880 1.478 ( 16.632 18.963 0.000) 25.224 1.986 ( 5.824 8.378 0.000) 10.203 2.100 ( 2.147 1.218 0.000) 2.468 2.215 ( 10.259 10.669 0.000) 14.802 2.246 ( 24.925 25.164 0.000) 35.419 2.377 ( 6.738 10.880 0.000) 12.797 3.159 ( 3.079 4.118 0.000) 5.142 3.426 ( 1.844 3.039 0.000) 3.555 3.557 ( 8.584 10.473 0.000) 13.541 3.607 ( 10.711 12.528 0.000) 16.482 3.639 ( 3.830 -0.838 0.000) 3.920 3.832 ( 0.617 6.428 0.000) 6.458 3.903 ( 7.416 7.738 0.000) 10.718 4.150 ( 11.529 11.565 0.000) 16.330 4.404 ( -0.922 -1.163 0.000) 1.484 5.271 ( -10.152 -11.658 0.000) 15.459 5.450 ( -3.812 -4.806 0.000) 6.134 9.806 ( -8.856 -10.106 0.000) 13.438 9.877 ( -6.764 -6.105 0.000) 9.112 10.803 ( -0.413 3.314 0.000) 3.340 11.074 ( -5.105 -12.291 0.000) 13.309 11.316 ( -21.091 -10.768 0.000) 23.681 11.857 ( 8.671 -17.093 0.000) 19.167 12.165 ( 0.789 3.002 0.000) 3.104 12.616 ( -9.525 1.419 0.000) 9.630 13.346 ( 10.933 15.123 0.000) 18.661 14.086 ( 6.269 5.277 0.000) 8.195 14.299 ( 5.797 7.994 0.000) 9.874 15.214 ( -13.111 -17.023 0.000) 21.487======================= Grid point 18 (11/81) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 10.307 18.474 0.000) 21.155 1.941 ( 16.452 14.969 0.000) 22.243 2.178 ( 4.969 2.202 0.000) 5.435 2.197 ( 7.236 10.666 0.000) 12.889 2.524 ( 12.730 10.327 0.000) 16.392 2.532 ( 5.227 9.047 0.000) 10.448 2.994 ( 26.779 22.023 0.000) 34.672 3.271 ( 4.342 5.096 0.000) 6.695 3.483 ( 0.933 3.390 0.000) 3.516 3.671 ( 4.228 -3.784 0.000) 5.674 3.753 ( 3.630 5.652 0.000) 6.717 3.894 ( -0.128 7.366 0.000) 7.367 3.950 ( 11.090 10.568 0.000) 15.319 4.115 ( 7.618 5.408 0.000) 9.342 4.424 ( 3.354 2.861 0.000) 4.409 4.478 ( 12.403 10.622 0.000) 16.330 5.058 ( -4.705 -4.604 0.000) 6.583 5.357 ( -1.318 -3.354 0.000) 3.604 9.523 ( -10.972 -10.742 0.000) 15.355 9.643 ( -11.926 -7.905 0.000) 14.308 10.701 ( -7.940 -2.416 0.000) 8.299 10.857 ( -18.309 -9.364 0.000) 20.565 10.969 ( 1.184 -7.746 0.000) 7.836 11.794 ( 6.001 -22.811 0.000) 23.588 12.228 ( 1.895 4.839 0.000) 5.197 12.484 ( -10.211 8.630 0.000) 13.369 13.638 ( 6.197 12.365 0.000) 13.831 14.247 ( 7.775 2.524 0.000) 8.175 14.435 ( 1.886 4.729 0.000) 5.091 14.944 ( -3.513 -8.514 0.000) 9.210======================= Grid point 19 (12/81) =======================q-point: ( 0.27 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 6.991 17.575 0.000) 18.915 2.317 ( 7.732 3.219 0.000) 8.375 2.339 ( 13.845 10.234 0.000) 17.217 2.447 ( 7.934 12.857 0.000) 15.108 2.709 ( 3.907 9.995 0.000) 10.732 2.856 ( 13.494 9.576 0.000) 16.546 3.407 ( 4.942 5.394 0.000) 7.315 3.482 ( 3.546 -0.813 0.000) 3.638 3.618 ( 10.542 8.942 0.000) 13.824 3.739 ( 11.431 5.592 0.000) 12.726 3.808 ( -0.499 1.662 0.000) 1.735 3.944 ( -1.820 7.529 0.000) 7.746 4.213 ( -0.062 0.606 0.000) 0.609 4.226 ( 9.777 6.723 0.000) 11.865 4.590 ( 9.096 6.003 0.000) 10.898 4.768 ( 9.543 7.888 0.000) 12.382 5.011 ( 1.318 0.318 0.000) 1.355 5.365 ( 5.215 -0.969 0.000) 5.304 9.224 ( -10.679 -10.294 0.000) 14.833 9.314 ( -15.743 -8.472 0.000) 17.878 10.526 ( -10.193 -5.822 0.000) 11.738 10.561 ( -5.167 -1.770 0.000) 5.462 10.892 ( -1.598 -7.085 0.000) 7.263 11.593 ( -2.419 -22.248 0.000) 22.380 12.328 ( 3.181 6.024 0.000) 6.812 12.448 ( -5.224 10.068 0.000) 11.343 13.810 ( 1.321 9.270 0.000) 9.364 14.412 ( 8.593 1.575 0.000) 8.736 14.465 ( -1.064 1.156 0.000) 1.571 14.877 ( 1.987 -5.017 0.000) 5.396======================= Grid point 20 (13/81) =======================q-point: ( 0.33 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.225 ( 2.926 15.989 0.000) 16.255 2.505 ( 9.608 3.357 0.000) 10.177 2.608 ( 7.094 7.943 0.000) 10.649 2.730 ( 9.380 11.015 0.000) 14.468 2.866 ( 2.133 10.615 0.000) 10.827 3.175 ( 12.564 8.105 0.000) 14.952 3.450 ( -0.918 -6.971 0.000) 7.031 3.542 ( 4.416 4.726 0.000) 6.468 3.664 ( -3.507 4.626 0.000) 5.805 3.800 ( -1.143 0.534 0.000) 1.262 3.990 ( -0.681 5.836 0.000) 5.875 4.155 ( -5.431 -1.161 0.000) 5.553 4.163 ( 16.171 9.784 0.000) 18.900 4.420 ( 6.693 3.141 0.000) 7.393 4.802 ( 8.248 4.254 0.000) 9.280 4.975 ( 7.467 5.024 0.000) 9.000 5.078 ( 4.039 1.652 0.000) 4.364 5.502 ( 9.656 0.054 0.000) 9.656 8.951 ( -15.731 -7.189 0.000) 17.296 8.960 ( -8.058 -8.742 0.000) 11.889 10.391 ( -0.893 -2.044 0.000) 2.231 10.486 ( -2.226 -0.403 0.000) 2.262 10.779 ( -3.358 -6.123 0.000) 6.983 11.288 ( -8.119 -18.741 0.000) 20.425 12.449 ( 3.123 6.422 0.000) 7.141 12.478 ( -2.631 8.473 0.000) 8.873 13.888 ( -0.999 6.475 0.000) 6.552 14.446 ( -0.734 -1.164 0.000) 1.376 14.567 ( 7.092 1.358 0.000) 7.221 14.871 ( 2.495 -4.760 0.000) 5.374======================= Grid point 21 (14/81) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( -1.587 13.717 0.000) 13.808 2.698 ( 8.992 0.958 0.000) 9.043 2.762 ( 2.062 6.777 0.000) 7.083 2.955 ( 5.669 6.316 0.000) 8.487 3.000 ( 0.645 11.435 0.000) 11.453 3.324 ( -5.054 -6.774 0.000) 8.452 3.446 ( 10.074 5.643 0.000) 11.547 3.642 ( 2.323 2.576 0.000) 3.469 3.646 ( -4.488 6.228 0.000) 7.677 3.789 ( -0.600 0.672 0.000) 0.901 4.025 ( -7.721 -0.553 0.000) 7.741 4.032 ( -0.324 3.866 0.000) 3.880 4.438 ( 7.991 3.542 0.000) 8.741 4.525 ( 3.412 0.314 0.000) 3.426 4.947 ( 4.801 1.499 0.000) 5.030 5.138 ( 6.152 2.642 0.000) 6.695 5.156 ( 3.193 0.494 0.000) 3.231 5.653 ( 7.756 -1.938 0.000) 7.994 8.659 ( -10.402 -3.554 0.000) 10.992 8.780 ( -3.633 -6.227 0.000) 7.210 10.444 ( 7.245 0.840 0.000) 7.294 10.469 ( -0.114 0.683 0.000) 0.692 10.666 ( -2.862 -4.570 0.000) 5.392 10.955 ( -9.864 -15.184 0.000) 18.106 12.513 ( -2.657 7.192 0.000) 7.667 12.551 ( 1.035 5.767 0.000) 5.859 13.918 ( -1.762 4.721 0.000) 5.039 14.424 ( 0.415 -2.371 0.000) 2.407 14.676 ( 4.081 0.509 0.000) 4.113 14.864 ( 2.390 -5.013 0.000) 5.553======================= Grid point 22 (15/81) =======================q-point: ( 0.47 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.443 ( -6.400 11.085 0.000) 12.799 2.791 ( 2.491 -4.314 0.000) 4.981 2.815 ( -2.613 4.527 0.000) 5.227 3.039 ( -0.978 1.694 0.000) 1.957 3.109 ( -6.473 11.212 0.000) 12.947 3.190 ( 1.760 -3.049 0.000) 3.520 3.593 ( 0.374 -0.647 0.000) 0.747 3.638 ( -3.487 6.039 0.000) 6.974 3.665 ( 0.190 -0.329 0.000) 0.380 3.793 ( -0.265 0.459 0.000) 0.530 3.930 ( -2.873 4.976 0.000) 5.746 4.050 ( -1.475 2.555 0.000) 2.950 4.529 ( 0.713 -1.235 0.000) 1.426 4.550 ( 0.810 -1.403 0.000) 1.620 4.997 ( 0.660 -1.144 0.000) 1.321 5.188 ( 0.714 -1.236 0.000) 1.427 5.211 ( 0.642 -1.112 0.000) 1.284 5.714 ( 2.918 -5.054 0.000) 5.836 8.546 ( -1.116 1.933 0.000) 2.232 8.716 ( 1.797 -3.113 0.000) 3.594 10.479 ( -0.367 0.635 0.000) 0.733 10.611 ( 1.139 -1.972 0.000) 2.277 10.613 ( 1.828 -3.166 0.000) 3.656 10.690 ( 3.375 -5.846 0.000) 6.751 12.526 ( -3.664 6.346 0.000) 7.327 12.590 ( -2.355 4.078 0.000) 4.709 13.926 ( -2.271 3.933 0.000) 4.542 14.415 ( 1.427 -2.472 0.000) 2.855 14.714 ( 0.652 -1.128 0.000) 1.303 14.858 ( 2.808 -4.863 0.000) 5.616======================= Grid point 33 (16/81) =======================q-point: ( 0.13 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 11.855 20.533 0.000) 23.710 1.870 ( 11.173 19.352 0.000) 22.346 2.143 ( 1.998 3.461 0.000) 3.996 2.194 ( 6.976 12.084 0.000) 13.953 2.459 ( 7.745 13.414 0.000) 15.490 2.533 ( 5.964 10.330 0.000) 11.928 2.864 ( 16.776 29.057 0.000) 33.552 3.260 ( 3.358 5.816 0.000) 6.716 3.504 ( 2.532 4.385 0.000) 5.064 3.600 ( -0.926 -1.604 0.000) 1.852 3.753 ( 4.413 7.643 0.000) 8.826 3.890 ( 7.846 13.590 0.000) 15.692 3.952 ( 3.168 5.487 0.000) 6.335 4.068 ( 4.737 8.205 0.000) 9.474 4.411 ( 1.456 2.522 0.000) 2.912 4.417 ( 8.314 14.400 0.000) 16.627 5.079 ( -4.010 -6.946 0.000) 8.021 5.351 ( -2.663 -4.613 0.000) 5.326 9.566 ( -7.733 -13.393 0.000) 15.465 9.712 ( -6.019 -10.425 0.000) 12.038 10.831 ( -5.623 -9.739 0.000) 11.245 10.839 ( -0.646 -1.119 0.000) 1.292 11.025 ( -10.334 -17.899 0.000) 20.668 11.561 ( -6.368 -11.030 0.000) 12.737 12.241 ( 2.524 4.372 0.000) 5.048 12.626 ( -0.233 -0.404 0.000) 0.466 13.658 ( 8.638 14.962 0.000) 17.277 14.179 ( 2.342 4.057 0.000) 4.685 14.449 ( 3.542 6.135 0.000) 7.084 14.924 ( -6.418 -11.117 0.000) 12.836======================= Grid point 34 (17/81) =======================q-point: ( 0.20 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.048 ( 8.683 21.772 0.000) 23.439 2.241 ( 11.394 14.619 0.000) 18.535 2.243 ( 4.857 4.516 0.000) 6.632 2.460 ( 7.461 14.834 0.000) 16.605 2.741 ( 5.342 11.135 0.000) 12.350 2.748 ( 10.537 11.773 0.000) 15.799 3.383 ( 11.285 11.196 0.000) 15.897 3.388 ( 4.099 6.230 0.000) 7.457 3.577 ( 3.750 8.325 0.000) 9.130 3.633 ( 6.031 2.409 0.000) 6.495 3.837 ( -0.009 2.232 0.000) 2.232 4.047 ( 0.167 7.679 0.000) 7.681 4.144 ( 8.063 8.317 0.000) 11.584 4.206 ( 2.929 3.790 0.000) 4.790 4.520 ( 5.736 6.276 0.000) 8.502 4.704 ( 8.693 11.531 0.000) 14.440 5.000 ( -0.366 -1.017 0.000) 1.080 5.284 ( 0.596 -3.677 0.000) 3.725 9.280 ( -9.225 -13.113 0.000) 16.033 9.459 ( -10.762 -10.443 0.000) 14.996 10.644 ( -6.614 -3.503 0.000) 7.485 10.665 ( -12.835 -9.904 0.000) 16.212 10.816 ( 1.038 -6.534 0.000) 6.616 11.371 ( 0.028 -18.403 0.000) 18.403 12.342 ( 2.955 6.412 0.000) 7.060 12.617 ( -3.036 4.981 0.000) 5.834 13.911 ( 2.432 14.119 0.000) 14.327 14.272 ( 6.758 0.114 0.000) 6.758 14.517 ( -1.608 3.041 0.000) 3.439 14.776 ( 0.471 -8.044 0.000) 8.058======================= Grid point 35 (18/81) =======================q-point: ( 0.27 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.366 ( 4.222 15.414 0.000) 15.981 2.414 ( 6.379 12.201 0.000) 13.767 2.555 ( 9.462 11.353 0.000) 14.779 2.733 ( 6.143 14.753 0.000) 15.981 2.936 ( 3.589 11.690 0.000) 12.229 3.051 ( 11.506 9.555 0.000) 14.956 3.404 ( -1.073 -5.439 0.000) 5.544 3.521 ( 4.073 5.546 0.000) 6.881 3.718 ( 2.306 5.291 0.000) 5.772 3.831 ( -1.460 0.562 0.000) 1.565 3.988 ( 15.717 13.247 0.000) 20.555 4.106 ( -2.523 8.358 0.000) 8.730 4.229 ( -2.752 1.170 0.000) 2.990 4.335 ( 6.767 3.815 0.000) 7.769 4.705 ( 7.745 5.152 0.000) 9.302 4.923 ( 5.282 7.287 0.000) 9.000 5.030 ( 2.833 1.343 0.000) 3.135 5.323 ( 7.917 -3.155 0.000) 8.523 8.998 ( -8.188 -11.801 0.000) 14.363 9.139 ( -13.989 -9.040 0.000) 16.655 10.418 ( -6.250 -5.013 0.000) 8.012 10.530 ( -3.634 -1.484 0.000) 3.926 10.748 ( -1.019 -6.597 0.000) 6.676 11.163 ( -1.940 -19.774 0.000) 19.869 12.471 ( 3.225 7.988 0.000) 8.615 12.629 ( -3.178 8.075 0.000) 8.678 14.019 ( -3.595 10.830 0.000) 11.412 14.425 ( 9.813 0.025 0.000) 9.813 14.472 ( -3.746 -0.647 0.000) 3.802 14.747 ( 3.953 -7.739 0.000) 8.690======================= Grid point 36 (19/81) =======================q-point: ( 0.33 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.551 ( 5.214 7.661 0.000) 9.267 2.641 ( -0.189 18.107 0.000) 18.108 2.792 ( 5.057 10.010 0.000) 11.214 2.952 ( 3.821 10.747 0.000) 11.406 3.088 ( 1.274 8.629 0.000) 8.723 3.329 ( 10.429 6.801 0.000) 12.451 3.337 ( -1.461 -1.603 0.000) 2.169 3.629 ( 2.715 3.479 0.000) 4.413 3.784 ( -2.066 6.925 0.000) 7.227 3.813 ( -1.130 0.742 0.000) 1.351 4.118 ( -3.616 6.538 0.000) 7.471 4.157 ( -6.355 1.642 0.000) 6.564 4.321 ( 10.208 5.853 0.000) 11.767 4.456 ( 4.675 0.425 0.000) 4.694 4.867 ( 6.121 2.199 0.000) 6.504 5.062 ( 5.221 3.439 0.000) 6.252 5.099 ( 3.476 0.325 0.000) 3.492 5.458 ( 10.281 -4.324 0.000) 11.153 8.773 ( -4.857 -9.487 0.000) 10.658 8.821 ( -12.663 -6.010 0.000) 14.017 10.350 ( 2.280 -2.081 0.000) 3.086 10.483 ( -0.999 -0.153 0.000) 1.010 10.656 ( -2.079 -5.622 0.000) 5.994 10.910 ( -4.908 -17.855 0.000) 18.518 12.602 ( 1.812 8.469 0.000) 8.660 12.661 ( -3.502 9.412 0.000) 10.042 14.038 ( -4.445 8.050 0.000) 9.195 14.401 ( -1.727 -3.207 0.000) 3.642 14.580 ( 7.278 0.127 0.000) 7.279 14.735 ( 4.068 -8.465 0.000) 9.392======================= Grid point 37 (20/81) =======================q-point: ( 0.40 0.13 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.696 ( 1.669 8.053 0.000) 8.224 2.745 ( -5.167 11.347 0.000) 12.468 2.923 ( -1.247 8.810 0.000) 8.898 3.073 ( 0.553 5.277 0.000) 5.306 3.132 ( 0.623 -1.348 0.000) 1.485 3.345 ( -4.768 11.763 0.000) 12.693 3.533 ( 6.560 2.451 0.000) 7.003 3.671 ( -0.331 0.499 0.000) 0.598 3.789 ( -5.122 7.752 0.000) 9.291 3.808 ( -0.658 1.043 0.000) 1.233 4.071 ( -6.270 4.979 0.000) 8.006 4.119 ( -2.474 4.357 0.000) 5.010 4.473 ( 4.321 -0.075 0.000) 4.321 4.509 ( 2.154 -1.645 0.000) 2.710 4.955 ( 2.885 -0.563 0.000) 2.939 5.145 ( 2.331 -1.606 0.000) 2.831 5.164 ( 3.597 -0.112 0.000) 3.599 5.558 ( 7.279 -7.259 0.000) 10.280 8.616 ( -5.755 -1.088 0.000) 5.857 8.649 ( 0.050 -6.466 0.000) 6.466 10.443 ( 9.645 -0.946 0.000) 9.691 10.485 ( 0.548 0.734 0.000) 0.916 10.576 ( -0.896 -4.161 0.000) 4.257 10.650 ( -5.786 -14.129 0.000) 15.268 12.687 ( -4.702 9.614 0.000) 10.702 12.688 ( -1.597 7.393 0.000) 7.564 14.038 ( -4.114 6.968 0.000) 8.091 14.356 ( 0.956 -4.052 0.000) 4.163 14.669 ( 3.317 -1.206 0.000) 3.529 14.723 ( 4.540 -8.681 0.000) 9.797======================= Grid point 49 (21/81) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.355 ( 3.978 6.890 0.000) 7.956 2.487 ( 11.967 20.728 0.000) 23.934 2.528 ( 7.942 13.756 0.000) 15.884 2.766 ( 8.489 14.704 0.000) 16.979 2.962 ( 5.971 10.342 0.000) 11.942 2.990 ( 6.970 12.073 0.000) 13.941 3.385 ( -2.435 -4.218 0.000) 4.870 3.513 ( 3.443 5.964 0.000) 6.887 3.720 ( 3.545 6.140 0.000) 7.090 3.849 ( -0.282 -0.489 0.000) 0.564 3.911 ( 10.300 17.839 0.000) 20.599 4.192 ( 3.577 6.196 0.000) 7.154 4.262 ( 0.807 1.398 0.000) 1.614 4.280 ( 3.093 5.357 0.000) 6.185 4.659 ( 4.118 7.132 0.000) 8.236 4.923 ( 5.514 9.550 0.000) 11.027 5.012 ( 1.028 1.780 0.000) 2.056 5.221 ( -1.133 -1.962 0.000) 2.265 9.010 ( -7.653 -13.256 0.000) 15.307 9.221 ( -7.549 -13.076 0.000) 15.099 10.465 ( -5.338 -9.246 0.000) 10.677 10.562 ( -2.355 -4.080 0.000) 4.711 10.714 ( -2.333 -4.040 0.000) 4.665 11.056 ( -7.673 -13.290 0.000) 15.346 12.485 ( 4.422 7.660 0.000) 8.845 12.703 ( 2.291 3.969 0.000) 4.582 14.177 ( 6.088 10.545 0.000) 12.176 14.268 ( 0.648 1.123 0.000) 1.297 14.541 ( -0.933 -1.616 0.000) 1.866 14.630 ( -3.218 -5.573 0.000) 6.435======================= Grid point 50 (22/81) =======================q-point: ( 0.27 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.505 ( 5.333 6.369 0.000) 8.307 2.789 ( 7.130 11.597 0.000) 13.613 2.862 ( 4.156 23.513 0.000) 23.877 3.021 ( 3.791 13.299 0.000) 13.829 3.120 ( 1.924 3.442 0.000) 3.943 3.228 ( 8.710 7.626 0.000) 11.577 3.337 ( 1.538 1.783 0.000) 2.355 3.619 ( 2.695 4.049 0.000) 4.864 3.836 ( -0.715 0.097 0.000) 0.721 3.842 ( 2.682 6.709 0.000) 7.226 4.222 ( 8.069 9.890 0.000) 12.764 4.259 ( -2.620 1.595 0.000) 3.068 4.266 ( -2.747 6.847 0.000) 7.378 4.377 ( 4.901 0.416 0.000) 4.919 4.796 ( 4.873 3.887 0.000) 6.233 5.054 ( 0.690 5.558 0.000) 5.600 5.055 ( 1.938 0.807 0.000) 2.099 5.243 ( 7.553 -4.431 0.000) 8.757 8.764 ( -6.017 -10.961 0.000) 12.504 8.944 ( -9.974 -10.274 0.000) 14.319 10.325 ( -2.380 -4.095 0.000) 4.737 10.497 ( -1.557 -1.761 0.000) 2.350 10.636 ( -1.799 -4.591 0.000) 4.931 10.812 ( -4.458 -14.950 0.000) 15.601 12.643 ( 3.785 8.833 0.000) 9.610 12.783 ( 0.218 7.344 0.000) 7.347 14.220 ( -6.038 8.351 0.000) 10.305 14.427 ( 10.256 0.742 0.000) 10.283 14.439 ( -6.029 -2.487 0.000) 6.522 14.573 ( 3.452 -9.135 0.000) 9.765======================= Grid point 51 (23/81) =======================q-point: ( 0.33 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.657 ( 4.926 4.990 0.000) 7.012 2.998 ( 3.858 10.126 0.000) 10.836 3.017 ( -5.486 6.793 0.000) 8.731 3.152 ( -1.456 8.738 0.000) 8.858 3.161 ( -1.357 11.310 0.000) 11.391 3.433 ( 7.833 3.038 0.000) 8.402 3.484 ( 3.796 12.418 0.000) 12.985 3.679 ( 0.681 1.656 0.000) 1.791 3.831 ( -0.541 1.119 0.000) 1.242 3.931 ( -1.248 7.285 0.000) 7.391 4.219 ( -4.677 4.045 0.000) 6.184 4.229 ( -5.456 3.366 0.000) 6.411 4.397 ( 4.522 1.220 0.000) 4.684 4.451 ( 3.267 0.408 0.000) 3.293 4.896 ( 3.619 0.958 0.000) 3.744 5.086 ( 2.071 -1.662 0.000) 2.656 5.109 ( 2.252 1.161 0.000) 2.534 5.338 ( 8.599 -7.157 0.000) 11.187 8.594 ( -2.267 -7.936 0.000) 8.253 8.701 ( -7.379 -5.820 0.000) 9.398 10.308 ( 3.842 -1.953 0.000) 4.310 10.475 ( 0.441 -0.581 0.000) 0.729 10.560 ( -1.807 -3.918 0.000) 4.315 10.594 ( -4.139 -13.147 0.000) 13.783 12.776 ( 0.980 8.338 0.000) 8.395 12.852 ( -2.250 9.310 0.000) 9.578 14.200 ( -5.370 7.742 0.000) 9.422 14.325 ( -2.698 -4.021 0.000) 4.843 14.544 ( 4.408 -10.078 0.000) 10.999 14.573 ( 6.267 -0.889 0.000) 6.330======================= Grid point 52 (24/81) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.740 ( -0.754 1.307 0.000) 1.509 2.973 ( -1.002 1.736 0.000) 2.005 3.100 ( -4.613 7.991 0.000) 9.227 3.168 ( -2.565 4.442 0.000) 5.130 3.217 ( -8.502 14.727 0.000) 17.005 3.527 ( 1.658 -2.872 0.000) 3.316 3.606 ( -6.637 11.496 0.000) 13.275 3.686 ( -0.669 1.158 0.000) 1.338 3.833 ( -0.843 1.461 0.000) 1.687 3.946 ( -4.219 7.307 0.000) 8.438 4.189 ( -1.336 2.315 0.000) 2.673 4.195 ( -3.723 6.449 0.000) 7.447 4.433 ( 2.001 -3.467 0.000) 4.003 4.488 ( -0.063 0.109 0.000) 0.126 4.934 ( 0.685 -1.187 0.000) 1.371 5.095 ( 1.820 -3.153 0.000) 3.641 5.139 ( 1.118 -1.937 0.000) 2.237 5.379 ( 5.712 -9.894 0.000) 11.424 8.533 ( 2.737 -4.741 0.000) 5.475 8.603 ( 0.246 -0.425 0.000) 0.491 10.395 ( 3.710 -6.427 0.000) 7.421 10.428 ( 2.694 -4.666 0.000) 5.388 10.494 ( 0.136 -0.236 0.000) 0.273 10.506 ( 1.366 -2.365 0.000) 2.731 12.829 ( -3.548 6.145 0.000) 7.096 12.881 ( -5.209 9.021 0.000) 10.417 14.191 ( -4.637 8.032 0.000) 9.275 14.279 ( 1.769 -3.064 0.000) 3.538 14.531 ( 5.677 -9.833 0.000) 11.355 14.624 ( 1.916 -3.319 0.000) 3.833======================= Grid point 66 (25/81) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.639 ( 3.830 6.634 0.000) 7.660 3.012 ( 5.903 10.225 0.000) 11.806 3.065 ( -2.956 -5.120 0.000) 5.912 3.243 ( 4.420 7.656 0.000) 8.841 3.312 ( 11.125 19.268 0.000) 22.249 3.350 ( 2.780 4.815 0.000) 5.560 3.477 ( 5.405 9.362 0.000) 10.811 3.681 ( 1.205 2.087 0.000) 2.409 3.843 ( 0.392 0.679 0.000) 0.784 3.975 ( 3.483 6.032 0.000) 6.965 4.286 ( 0.560 0.971 0.000) 1.121 4.322 ( -1.722 -2.982 0.000) 3.443 4.356 ( 1.357 2.351 0.000) 2.715 4.416 ( 3.360 5.820 0.000) 6.720 4.866 ( 1.805 3.127 0.000) 3.611 5.057 ( -0.372 -0.644 0.000) 0.743 5.133 ( 0.559 0.968 0.000) 1.118 5.172 ( -0.534 -0.925 0.000) 1.068 8.573 ( -4.420 -7.656 0.000) 8.840 8.739 ( -5.450 -9.439 0.000) 10.900 10.267 ( -0.755 -1.307 0.000) 1.510 10.467 ( -0.549 -0.951 0.000) 1.098 10.556 ( -1.974 -3.420 0.000) 3.949 10.558 ( -6.006 -10.403 0.000) 12.013 12.811 ( 4.224 7.317 0.000) 8.449 12.923 ( 3.656 6.332 0.000) 7.312 14.326 ( 1.301 2.253 0.000) 2.601 14.369 ( -3.239 -5.610 0.000) 6.477 14.407 ( -3.078 -5.331 0.000) 6.156 14.475 ( 2.178 3.773 0.000) 4.357======================= Grid point 67 (26/81) =======================q-point: ( 0.33 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.759 ( 2.364 5.105 0.000) 5.626 2.962 ( -1.983 -4.934 0.000) 5.318 3.191 ( 3.260 8.740 0.000) 9.328 3.292 ( -5.221 4.886 0.000) 7.150 3.438 ( 4.823 -2.425 0.000) 5.399 3.540 ( -5.912 18.288 0.000) 19.220 3.706 ( -0.028 1.076 0.000) 1.076 3.721 ( 7.860 9.637 0.000) 12.436 3.859 ( -0.092 1.416 0.000) 1.419 4.056 ( -1.355 4.139 0.000) 4.355 4.230 ( -3.453 -1.911 0.000) 3.947 4.297 ( -1.582 3.180 0.000) 3.552 4.359 ( 1.232 -4.021 0.000) 4.205 4.510 ( 0.752 3.861 0.000) 3.933 4.919 ( 1.181 1.587 0.000) 1.978 5.035 ( 0.604 -3.232 0.000) 3.288 5.113 ( -0.604 -0.382 0.000) 0.715 5.195 ( 4.693 -6.271 0.000) 7.832 8.466 ( -0.585 -4.445 0.000) 4.483 8.596 ( -2.176 -4.204 0.000) 4.734 10.279 ( 3.154 -0.656 0.000) 3.221 10.388 ( -3.093 -7.275 0.000) 7.905 10.464 ( 0.941 -0.367 0.000) 1.010 10.498 ( -1.283 -2.266 0.000) 2.604 12.918 ( 0.304 5.237 0.000) 5.246 13.020 ( -0.703 6.812 0.000) 6.848 14.256 ( -2.682 -2.419 0.000) 3.611 14.345 ( -3.521 6.639 0.000) 7.515 14.354 ( 3.264 -8.038 0.000) 8.675 14.539 ( 3.658 -2.662 0.000) 4.524======================= Grid point 82 (27/81) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( -2.504 -4.338 0.000) 5.009 2.861 ( 2.504 4.338 0.000) 5.009 3.329 ( -0.000 -0.000 0.000) 0.000 3.352 ( -2.132 -3.693 0.000) 4.264 3.352 ( 2.132 3.693 0.000) 4.264 3.718 ( -0.000 -0.000 0.000) 0.000 3.796 ( -2.352 -4.074 0.000) 4.704 3.796 ( 2.352 4.074 0.000) 4.704 3.876 ( -0.000 -0.000 0.000) 0.000 4.063 ( -0.000 -0.000 0.000) 0.000 4.260 ( -2.391 -4.140 0.000) 4.781 4.260 ( 2.391 4.140 0.000) 4.781 4.331 ( -0.000 -0.000 0.000) 0.000 4.556 ( -0.000 -0.000 0.000) 0.000 4.967 ( -1.568 -2.716 0.000) 3.136 4.967 ( 1.568 2.716 0.000) 3.136 5.115 ( -0.701 -1.215 0.000) 1.403 5.115 ( 0.701 1.215 0.000) 1.403 8.421 ( -0.000 -0.000 0.000) 0.000 8.550 ( -0.000 -0.000 0.000) 0.000 10.293 ( -1.196 -2.071 0.000) 2.391 10.293 ( 1.196 2.071 0.000) 2.391 10.467 ( -0.400 -0.692 0.000) 0.799 10.467 ( 0.400 0.692 0.000) 0.799 12.973 ( -0.000 -0.000 0.000) 0.000 13.095 ( -0.000 -0.000 0.000) 0.000 14.248 ( -1.084 -1.877 0.000) 2.168 14.248 ( 1.084 1.877 0.000) 2.168 14.463 ( -2.436 -4.219 0.000) 4.872 14.463 ( 2.436 4.219 0.000) 4.872======================= Grid point 241 (28/81) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.502 ( 0.000 0.000 28.127) 28.127 0.502 ( 0.000 0.000 28.127) 28.127 0.849 ( 0.000 -0.000 47.602) 47.602 1.435 ( 0.000 -0.000 -23.334) 23.334 1.435 ( -0.000 -0.000 -23.334) 23.334 2.336 ( -0.000 -0.000 18.159) 18.159 2.336 ( 0.000 0.000 18.159) 18.159 2.443 ( 0.000 0.000 -40.579) 40.579 2.902 ( -0.000 0.000 -12.092) 12.092 2.902 ( 0.000 0.000 -12.092) 12.092 3.419 ( 0.000 0.000 6.285) 6.285 3.419 ( 0.000 0.000 6.285) 6.285 3.591 ( 0.000 -0.000 -2.631) 2.631 3.591 ( 0.000 0.000 -2.631) 2.631 4.016 ( 0.000 0.000 33.214) 33.214 5.086 ( 0.000 -0.000 -24.846) 24.846 5.871 ( 0.000 -0.000 13.477) 13.477 6.193 ( 0.000 0.000 -4.470) 4.470 10.096 ( 0.000 0.000 1.781) 1.781 10.096 ( 0.000 0.000 1.781) 1.781 10.181 ( 0.000 0.000 -1.993) 1.993 10.181 ( -0.000 0.000 -1.993) 1.993 12.010 ( -0.000 0.000 2.409) 2.409 12.010 ( 0.000 0.000 2.409) 2.409 12.114 ( -0.000 0.000 -2.196) 2.196 12.114 ( 0.000 0.000 -2.196) 2.196 13.748 ( -0.000 -0.000 1.647) 1.647 13.827 ( 0.000 -0.000 -1.877) 1.877 16.301 ( 0.000 -0.000 3.677) 3.677 16.460 ( 0.000 -0.000 -3.422) 3.422======================= Grid point 242 (29/81) =======================q-point: ( 0.07 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.672 ( 16.691 9.637 15.597) 24.794 0.684 ( 13.379 7.724 20.021) 25.288 1.266 ( 27.517 15.887 33.291) 46.020 1.491 ( 4.693 2.710 -21.781) 22.445 1.493 ( 4.892 2.824 -24.104) 24.757 2.329 ( 2.343 1.353 10.603) 10.943 2.365 ( 2.472 1.427 17.596) 17.826 2.650 ( 14.126 8.156 -27.026) 31.567 2.920 ( 1.542 0.890 -11.956) 12.088 3.013 ( 8.096 4.674 -12.825) 15.871 3.431 ( 1.051 0.607 6.314) 6.429 3.562 ( 8.511 4.914 -0.231) 9.830 3.605 ( 1.159 0.669 -2.661) 2.979 3.681 ( 7.517 4.340 -2.732) 9.100 4.028 ( 1.232 0.711 29.763) 29.797 4.749 ( -17.175 -9.916 3.921) 20.216 5.631 ( -7.989 -4.612 4.858) 10.426 5.926 ( -18.919 -10.923 -5.066) 22.425 10.068 ( -2.552 -1.473 1.229) 3.193 10.126 ( -4.698 -2.712 -1.354) 5.591 10.424 ( 16.487 9.519 1.567) 19.102 10.851 ( 29.996 17.318 -37.885) 51.332 11.925 ( -8.165 -4.714 3.355) 10.007 12.026 ( 1.349 0.779 1.996) 2.532 12.076 ( -0.979 -0.565 -6.330) 6.430 12.113 ( 0.001 0.001 -1.871) 1.871 13.821 ( 5.853 3.379 1.701) 6.969 13.893 ( 4.534 2.618 -0.468) 5.256 14.839 ( -59.045 -34.090 82.305) 106.876 16.083 ( -28.131 -16.242 -10.880) 34.257======================= Grid point 243 (30/81) =======================q-point: ( 0.13 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( 16.246 9.380 12.115) 22.331 1.148 ( 22.038 12.724 3.712) 25.717 1.645 ( 8.253 4.765 -18.202) 20.546 1.659 ( 9.265 5.349 -21.854) 24.333 1.964 ( 31.255 18.045 21.674) 42.098 2.444 ( 6.850 3.955 17.736) 19.420 2.448 ( 4.598 2.655 16.174) 17.023 2.974 ( 3.140 1.813 -11.654) 12.205 3.039 ( 18.465 10.661 -23.571) 31.784 3.236 ( 10.125 5.846 -14.180) 18.379 3.467 ( 1.982 1.144 6.456) 6.850 3.644 ( 2.239 1.293 -2.744) 3.770 3.750 ( 7.817 4.513 3.980) 9.865 3.908 ( 10.914 6.301 -2.048) 12.768 4.090 ( 4.705 2.717 19.962) 20.688 4.483 ( -6.657 -3.843 1.921) 7.923 5.483 ( -9.358 -5.403 -2.993) 11.213 5.495 ( -12.497 -7.215 -2.457) 14.638 9.965 ( -8.994 -5.193 0.065) 10.386 9.969 ( -6.229 -3.597 -0.074) 7.193 10.749 ( 8.861 5.116 4.235) 11.074 11.106 ( -2.730 -1.576 -14.992) 15.319 11.622 ( -16.405 -9.471 8.581) 20.796 12.074 ( 2.831 1.634 1.041) 3.431 12.107 ( 0.835 0.482 -25.485) 25.503 12.121 ( 0.884 0.510 -1.028) 1.449 13.855 ( -7.395 -4.269 33.769) 34.832 14.003 ( 8.010 4.624 3.104) 9.755 14.244 ( 1.190 0.687 21.627) 21.671 15.404 ( -25.809 -14.901 -17.196) 34.407======================= Grid point 244 (31/81) =======================q-point: ( 0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.415 ( 15.626 9.022 8.032) 19.750 1.654 ( 21.038 12.147 0.485) 24.298 1.863 ( 10.291 5.942 -14.550) 18.786 1.910 ( 11.813 6.820 -14.422) 19.851 2.573 ( 5.991 3.459 14.489) 16.055 2.602 ( 11.291 6.519 18.497) 22.630 2.709 ( 27.419 15.830 14.402) 34.782 3.064 ( 4.515 2.606 -11.430) 12.563 3.416 ( 7.750 4.474 -16.906) 19.128 3.499 ( 17.299 9.988 -18.528) 27.245 3.521 ( 2.663 1.538 6.855) 7.513 3.707 ( 3.139 1.812 -2.877) 4.628 3.921 ( 6.132 3.540 9.636) 11.957 4.124 ( 7.090 4.094 4.074) 9.145 4.287 ( 11.591 6.692 2.765) 13.667 4.407 ( 0.466 0.269 0.104) 0.548 5.200 ( -8.512 -4.914 3.152) 10.322 5.373 ( -3.940 -2.275 -4.461) 6.372 9.717 ( -12.124 -7.000 1.217) 14.052 9.771 ( -10.763 -6.214 -1.216) 12.488 10.781 ( -5.245 -3.028 3.203) 6.851 10.944 ( -10.313 -5.954 -5.804) 13.248 11.272 ( -10.854 -6.267 14.300) 19.015 12.024 ( -7.749 -4.474 -26.292) 27.773 12.156 ( 4.042 2.334 0.116) 4.669 12.161 ( 2.609 1.506 -0.110) 3.014 13.780 ( 0.856 0.494 27.041) 27.059 14.181 ( 6.454 3.726 -0.200) 7.455 14.374 ( 6.449 3.723 5.727) 9.394 14.980 ( -10.533 -6.081 -14.167) 18.671======================= Grid point 245 (32/81) =======================q-point: ( 0.27 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( 13.620 7.864 6.008) 16.836 2.111 ( 10.670 6.160 -11.975) 17.181 2.114 ( 18.154 10.481 -0.667) 20.973 2.189 ( 12.045 6.954 -4.952) 14.763 2.719 ( 6.392 3.690 13.030) 14.976 2.824 ( 9.991 5.768 14.693) 18.681 3.179 ( 5.119 2.955 -11.450) 12.886 3.358 ( 24.461 14.122 1.531) 28.286 3.517 ( 3.518 2.031 -9.828) 10.634 3.589 ( 3.071 1.773 7.581) 8.369 3.787 ( 3.659 2.113 -3.049) 5.210 3.901 ( 15.647 9.034 -13.525) 22.569 3.997 ( 0.517 0.299 9.977) 9.995 4.223 ( 0.802 0.463 -0.603) 1.105 4.501 ( 9.307 5.373 2.414) 11.014 4.597 ( 12.112 6.993 -1.641) 14.081 5.090 ( -1.110 -0.641 6.758) 6.878 5.329 ( 0.685 0.395 -4.321) 4.393 9.416 ( -13.292 -7.674 1.267) 15.400 9.474 ( -14.517 -8.381 -1.273) 16.811 10.622 ( -6.685 -3.860 1.128) 7.801 10.656 ( -11.992 -6.924 -0.590) 13.860 11.109 ( -5.481 -3.164 12.293) 13.826 11.784 ( -12.187 -7.036 -19.466) 24.020 12.242 ( 4.303 2.484 0.310) 4.978 12.256 ( 4.407 2.544 -0.298) 5.098 13.834 ( 2.852 1.647 15.473) 15.820 14.282 ( 2.333 1.347 -7.061) 7.557 14.513 ( 5.636 3.254 7.422) 9.871 14.868 ( -0.749 -0.432 -8.200) 8.246======================= Grid point 246 (33/81) =======================q-point: ( 0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 10.653 6.151 5.092) 13.313 2.346 ( 9.232 5.330 -10.555) 15.001 2.438 ( 10.676 6.164 1.457) 12.414 2.514 ( 14.670 8.470 -1.251) 16.986 2.862 ( 5.762 3.327 11.928) 13.658 3.073 ( 11.153 6.439 7.308) 14.807 3.293 ( 4.547 2.625 -11.487) 12.630 3.500 ( -0.862 -0.498 -12.799) 12.838 3.662 ( 3.220 1.859 8.301) 9.095 3.870 ( 8.506 4.911 7.519) 12.369 3.873 ( 3.539 2.043 -3.188) 5.183 4.001 ( 7.465 4.310 5.154) 10.043 4.165 ( -1.295 -0.748 -2.875) 3.241 4.236 ( 8.642 4.989 -9.529) 13.798 4.739 ( 9.950 5.745 3.662) 12.059 4.852 ( 9.625 5.557 -1.729) 11.248 5.127 ( 3.607 2.082 8.352) 9.332 5.413 ( 6.141 3.545 -5.165) 8.773 9.116 ( -12.099 -6.985 0.026) 13.971 9.117 ( -15.477 -8.936 -0.023) 17.871 10.449 ( -5.426 -3.132 1.161) 6.372 10.501 ( -3.592 -2.074 -0.821) 4.229 10.973 ( -6.242 -3.604 10.131) 12.433 11.478 ( -13.788 -7.961 -12.706) 20.370 12.353 ( 4.957 2.862 0.005) 5.723 12.353 ( 3.800 2.194 -0.008) 4.388 13.893 ( 2.058 1.188 9.925) 10.205 14.311 ( 0.556 0.321 -10.692) 10.711 14.637 ( 4.834 2.791 7.921) 9.690 14.880 ( 0.931 0.538 -4.487) 4.614======================= Grid point 247 (34/81) =======================q-point: ( 0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.246 ( 6.825 3.940 4.720) 9.186 2.528 ( 6.185 3.571 -9.848) 12.165 2.669 ( 9.192 5.307 2.669) 10.944 2.802 ( 9.618 5.553 -2.887) 11.475 2.979 ( 4.117 2.377 11.112) 12.086 3.320 ( 8.963 5.175 1.637) 10.478 3.382 ( 2.939 1.697 -11.012) 11.523 3.462 ( -1.483 -0.856 -2.482) 3.016 3.734 ( 2.762 1.595 8.373) 8.960 3.842 ( -3.012 -1.739 5.962) 6.902 3.946 ( 2.621 1.513 -3.225) 4.423 4.044 ( -6.157 -3.555 -3.267) 7.824 4.310 ( 10.891 6.288 -1.172) 12.631 4.426 ( 6.016 3.473 -6.204) 9.314 4.932 ( 6.360 3.672 3.714) 8.230 5.046 ( 6.786 3.918 -1.809) 8.042 5.231 ( 4.896 2.827 9.831) 11.341 5.574 ( 6.689 3.862 -6.326) 9.984 8.787 ( -12.175 -7.029 1.869) 14.182 8.872 ( -8.548 -4.935 -1.912) 10.054 10.402 ( 1.020 0.589 -0.335) 1.224 10.456 ( -0.344 -0.199 -1.568) 1.617 10.829 ( -5.669 -3.273 8.389) 10.641 11.156 ( -13.585 -7.843 -6.538) 16.994 12.427 ( 2.507 1.447 0.744) 2.989 12.460 ( 3.978 2.297 -0.707) 4.648 13.929 ( 1.110 0.641 7.700) 7.806 14.318 ( 0.195 0.113 -11.229) 11.232 14.731 ( 3.186 1.840 6.387) 7.371 14.895 ( 0.327 0.189 -2.457) 2.486======================= Grid point 248 (35/81) =======================q-point: ( 0.47 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( 2.351 1.358 4.587) 5.331 2.626 ( 2.164 1.249 -9.536) 9.858 2.853 ( 5.843 3.373 -0.450) 6.761 2.939 ( 1.841 1.063 -4.947) 5.385 3.046 ( 1.521 0.878 10.623) 10.768 3.361 ( -1.772 -1.023 7.923) 8.183 3.428 ( 0.971 0.561 -10.284) 10.345 3.560 ( 6.069 3.504 -0.476) 7.024 3.782 ( 1.145 0.661 7.967) 8.076 3.794 ( -0.805 -0.465 1.665) 1.907 3.897 ( -5.447 -3.145 -2.270) 6.687 3.989 ( 0.978 0.565 -3.196) 3.389 4.481 ( 4.020 2.321 -2.967) 5.508 4.511 ( 1.259 0.727 -4.145) 4.392 5.031 ( 2.125 1.227 3.484) 4.261 5.152 ( 2.273 1.312 -2.407) 3.561 5.327 ( 2.577 1.488 10.538) 10.950 5.689 ( 2.696 1.557 -6.685) 7.375 8.584 ( -4.667 -2.695 3.260) 6.298 8.733 ( -3.103 -1.792 -3.379) 4.925 10.442 ( 1.071 0.618 -1.699) 2.101 10.495 ( 3.159 1.824 -4.338) 5.668 10.742 ( -0.568 -0.328 6.800) 6.832 10.870 ( -10.086 -5.823 0.005) 11.647 12.467 ( 0.868 0.501 1.371) 1.699 12.526 ( 1.524 0.880 -1.263) 2.166 13.946 ( 0.351 0.202 6.942) 6.954 14.321 ( 0.049 0.028 -11.046) 11.047 14.782 ( 1.108 0.640 5.065) 5.224 14.898 ( 0.002 0.001 -1.413) 1.413======================= Grid point 257 (36/81) =======================q-point: ( 0.07 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.954 ( 9.886 17.123 13.451) 23.914 1.006 ( 12.354 21.397 5.358) 25.281 1.600 ( 4.490 7.776 -23.054) 24.741 1.602 ( 4.636 8.030 -19.101) 21.232 1.765 ( 17.585 30.457 24.643) 42.943 2.400 ( 3.273 5.670 16.196) 17.469 2.427 ( 2.682 4.645 16.469) 17.321 2.916 ( 8.599 14.895 -23.144) 28.834 2.966 ( 3.231 5.596 -13.133) 14.637 3.169 ( 5.633 9.756 -13.678) 17.720 3.461 ( 1.326 2.296 6.348) 6.880 3.615 ( 1.276 2.210 -0.406) 2.584 3.724 ( 4.604 7.974 -0.388) 9.216 3.830 ( 5.908 10.233 -2.250) 12.028 4.065 ( 1.909 3.306 23.370) 23.679 4.531 ( -5.099 -8.832 3.237) 10.700 5.521 ( -3.320 -5.751 -2.524) 7.104 5.598 ( -10.477 -18.147 -3.209) 21.199 10.008 ( -2.729 -4.726 0.246) 5.463 10.020 ( -4.508 -7.808 -0.263) 9.019 10.685 ( 7.330 12.695 3.959) 15.184 11.114 ( 1.739 3.011 -21.537) 21.816 11.755 ( -7.655 -13.260 3.051) 15.612 11.883 ( -5.152 -8.924 -1.820) 10.464 12.127 ( 0.844 1.462 -0.867) 1.898 12.214 ( 5.404 9.360 -14.430) 18.029 13.916 ( -2.735 -4.737 24.227) 24.837 13.941 ( 4.430 7.673 1.733) 9.027 14.264 ( -5.492 -9.513 40.611) 42.070 15.572 ( -16.845 -29.177 -16.515) 37.521======================= Grid point 258 (37/81) =======================q-point: ( 0.13 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( 11.393 17.401 8.484) 22.462 1.468 ( 16.657 18.037 0.650) 24.561 1.791 ( 7.198 9.444 -16.566) 20.382 1.812 ( 8.698 9.764 -16.091) 20.734 2.411 ( 22.306 23.863 16.614) 36.647 2.535 ( 4.592 6.250 18.130) 19.719 2.560 ( 6.966 7.961 16.658) 19.733 3.036 ( 3.183 4.409 -11.504) 12.725 3.310 ( 12.956 14.465 -20.018) 27.889 3.361 ( 6.859 5.547 -15.655) 17.969 3.523 ( 2.167 4.829 5.464) 7.607 3.682 ( 3.010 3.304 -0.654) 4.517 3.883 ( 4.698 7.605 5.614) 10.556 4.049 ( 7.096 6.967 2.326) 10.213 4.191 ( 7.369 7.827 8.999) 14.019 4.415 ( -1.849 -2.280 0.081) 2.937 5.281 ( -8.620 -10.050 1.250) 13.299 5.405 ( -3.659 -4.711 -4.453) 7.444 9.816 ( -8.554 -9.494 1.154) 12.831 9.867 ( -7.077 -6.665 -1.101) 9.783 10.838 ( -0.756 2.871 3.720) 4.760 11.023 ( -5.515 -6.972 -4.945) 10.172 11.388 ( -15.299 -13.400 7.326) 21.617 11.771 ( 5.703 -17.616 -9.853) 20.975 12.169 ( 0.878 3.908 0.587) 4.049 12.346 ( -2.042 10.016 -15.183) 18.303 13.814 ( -2.022 1.445 33.322) 33.414 14.105 ( 6.359 5.011 1.846) 8.304 14.321 ( 4.975 6.011 5.258) 9.409 15.072 ( -12.096 -15.880 -16.007) 25.588======================= Grid point 259 (38/81) =======================q-point: ( 0.20 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 9.999 17.041 5.600) 20.536 1.924 ( 16.348 13.813 -1.567) 21.459 2.030 ( 8.830 9.752 -10.324) 16.723 2.086 ( 10.147 11.252 -9.343) 17.801 2.681 ( 4.829 7.289 13.633) 16.196 2.728 ( 8.067 6.742 16.829) 19.843 3.089 ( 24.172 20.154 8.752) 32.666 3.148 ( 3.701 5.695 -10.892) 12.836 3.453 ( 3.138 -0.629 -13.197) 13.580 3.569 ( 4.160 3.878 3.036) 6.447 3.746 ( 10.587 11.256 -11.910) 19.510 3.778 ( 4.781 6.481 -3.674) 8.852 4.012 ( 1.435 5.168 9.135) 10.593 4.198 ( 3.928 3.046 2.616) 5.617 4.423 ( 5.541 5.126 0.478) 7.563 4.472 ( 10.382 7.946 -0.670) 13.090 5.107 ( -3.210 -3.845 5.132) 7.171 5.317 ( -1.130 -3.137 -4.286) 5.430 9.541 ( -11.138 -10.299 1.901) 15.288 9.625 ( -11.816 -8.300 -1.852) 14.558 10.720 ( -8.552 -3.215 1.933) 9.339 10.810 ( -12.662 -7.216 -3.118) 14.904 11.100 ( -2.646 -10.085 12.434) 16.227 11.670 ( 3.582 -20.172 -13.534) 24.554 12.238 ( 1.606 5.551 1.247) 5.912 12.378 ( -4.803 10.394 -7.932) 13.929 13.854 ( 0.214 6.605 19.031) 20.146 14.244 ( 4.746 2.411 -1.599) 5.558 14.454 ( 4.112 3.801 3.703) 6.713 14.847 ( -1.488 -6.752 -10.533) 12.600======================= Grid point 260 (39/81) =======================q-point: ( 0.27 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( 7.265 16.129 4.074) 18.153 2.255 ( 9.083 8.077 -7.707) 14.392 2.318 ( 12.076 9.192 -0.325) 15.180 2.393 ( 11.074 13.201 -3.401) 17.564 2.841 ( 4.157 8.333 11.429) 14.742 2.955 ( 9.927 7.180 10.491) 16.130 3.269 ( 3.191 5.737 -10.707) 12.560 3.469 ( 1.864 -2.358 -11.850) 12.226 3.626 ( 10.899 7.557 3.136) 13.629 3.693 ( 10.486 7.649 6.119) 14.350 3.863 ( 3.851 6.288 -0.476) 7.388 4.022 ( -1.575 3.375 6.803) 7.755 4.096 ( 9.628 8.477 -8.919) 15.624 4.227 ( -1.673 0.452 -2.244) 2.835 4.623 ( 9.882 6.290 3.233) 12.152 4.745 ( 9.941 7.519 -2.415) 12.696 5.084 ( 2.270 0.039 7.087) 7.442 5.326 ( 4.796 -0.889 -4.303) 6.505 9.237 ( -11.442 -10.053 1.399) 15.295 9.300 ( -15.015 -8.778 -1.431) 17.452 10.534 ( -9.290 -5.318 0.811) 10.735 10.560 ( -5.849 -2.491 -0.210) 6.361 10.983 ( -1.947 -8.279 10.023) 13.146 11.480 ( -2.659 -18.729 -12.030) 22.418 12.337 ( 2.651 6.395 0.988) 6.993 12.413 ( -2.581 9.481 -3.069) 10.294 13.919 ( -0.650 6.493 10.859) 12.669 14.309 ( 0.850 1.354 -8.264) 8.417 14.558 ( 5.522 0.953 7.088) 9.036 14.825 ( 3.210 -3.816 -5.611) 7.507======================= Grid point 261 (40/81) =======================q-point: ( 0.33 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.255 ( 3.569 14.612 3.424) 15.426 2.466 ( 6.954 6.175 -5.957) 11.044 2.583 ( 8.343 8.636 1.061) 12.054 2.701 ( 9.883 9.609 -2.646) 14.036 2.986 ( 2.458 8.792 10.207) 13.693 3.204 ( 10.003 6.295 3.673) 12.376 3.361 ( 2.166 2.859 -8.384) 9.119 3.473 ( 0.510 -0.077 -6.724) 6.744 3.730 ( 1.447 4.236 5.342) 6.970 3.838 ( 1.145 -1.488 2.426) 3.068 3.994 ( -3.158 5.752 1.509) 6.733 4.129 ( -3.775 1.065 -2.063) 4.432 4.170 ( 11.237 6.772 0.537) 13.131 4.342 ( 7.704 4.515 -7.414) 11.606 4.843 ( 8.285 4.378 3.871) 10.139 4.960 ( 7.673 4.906 -1.731) 9.271 5.161 ( 5.144 1.160 8.219) 9.765 5.453 ( 9.016 0.170 -5.414) 10.518 8.951 ( -14.252 -7.644 0.051) 16.173 8.959 ( -9.513 -8.476 -0.207) 12.743 10.401 ( -1.815 -1.827 1.283) 2.878 10.474 ( -2.302 -0.786 -1.556) 2.887 10.855 ( -3.411 -7.381 8.168) 11.525 11.215 ( -6.970 -16.179 -7.882) 19.299 12.450 ( 2.477 6.569 0.145) 7.022 12.470 ( -1.313 8.056 -0.771) 8.198 13.959 ( -1.381 5.066 7.571) 9.213 14.320 ( -0.287 0.453 -10.164) 10.178 14.661 ( 5.579 -0.364 6.692) 8.720 14.844 ( 3.121 -4.010 -3.012) 5.907======================= Grid point 262 (41/81) =======================q-point: ( 0.40 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.417 ( -0.893 12.519 3.250) 12.965 2.614 ( 3.417 4.605 -6.763) 8.866 2.784 ( 5.787 6.306 1.476) 8.685 2.902 ( 4.623 4.064 -4.130) 7.412 3.101 ( 0.113 9.326 8.523) 12.635 3.336 ( 0.967 -1.626 1.550) 2.446 3.472 ( 6.602 5.503 -1.529) 8.730 3.490 ( -0.578 3.823 -5.454) 6.685 3.780 ( 0.030 2.213 6.013) 6.407 3.809 ( -1.474 -0.945 2.342) 2.924 4.007 ( -6.383 1.368 -1.861) 6.789 4.014 ( -2.223 3.705 -1.761) 4.666 4.407 ( 7.351 3.210 -2.277) 8.338 4.472 ( 3.926 0.969 -4.788) 6.267 4.985 ( 4.550 1.462 3.656) 6.017 5.105 ( 4.674 1.837 -2.251) 5.503 5.267 ( 5.251 0.572 9.666) 11.015 5.598 ( 7.397 -1.525 -6.060) 9.684 8.675 ( -9.369 -4.069 1.756) 10.365 8.761 ( -4.603 -5.954 -2.046) 7.799 10.419 ( 3.281 1.024 -1.038) 3.591 10.461 ( 1.042 0.549 -1.713) 2.078 10.732 ( -2.130 -6.023 6.404) 9.046 10.931 ( -7.749 -13.351 -2.844) 15.696 12.517 ( -1.938 6.899 0.505) 7.184 12.545 ( 0.572 5.915 -0.671) 5.980 13.977 ( -1.644 3.886 6.435) 7.695 14.316 ( 0.011 -0.451 -9.836) 9.847 14.736 ( 3.762 -1.259 4.772) 6.205 14.851 ( 2.654 -4.496 -1.506) 5.434======================= Grid point 263 (42/81) =======================q-point: ( 0.47 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.472 ( -5.737 9.936 3.224) 11.917 2.668 ( -1.390 2.407 -7.395) 7.900 2.882 ( -0.421 0.729 1.353) 1.594 2.950 ( -0.246 0.426 -5.453) 5.476 3.158 ( -4.963 8.597 6.022) 11.611 3.320 ( 0.809 -1.402 9.219) 9.360 3.498 ( -2.718 4.707 -8.032) 9.699 3.596 ( 0.235 -0.406 -0.914) 1.028 3.773 ( -0.023 0.040 4.760) 4.760 3.794 ( -0.203 0.351 0.377) 0.554 3.934 ( -3.356 5.812 0.870) 6.768 4.027 ( -1.783 3.088 -2.384) 4.289 4.497 ( 0.722 -1.251 -2.894) 3.234 4.499 ( 0.694 -1.202 -4.030) 4.262 5.032 ( 0.645 -1.118 3.476) 3.708 5.155 ( 0.598 -1.037 -2.429) 2.708 5.322 ( 1.158 -2.005 9.824) 10.093 5.658 ( 2.623 -4.544 -6.131) 8.069 8.569 ( -0.626 1.084 2.493) 2.790 8.689 ( 1.436 -2.488 -2.849) 4.046 10.457 ( -0.423 0.732 -1.481) 1.705 10.509 ( 0.441 -0.764 -4.822) 4.902 10.712 ( 2.486 -4.306 4.463) 6.681 10.726 ( 3.384 -5.862 2.853) 7.345 12.536 ( -3.431 5.943 0.994) 6.934 12.581 ( -2.501 4.331 -1.031) 5.107 13.982 ( -1.918 3.322 6.162) 7.258 14.314 ( 0.419 -0.726 -9.560) 9.596 14.763 ( 1.407 -2.436 3.914) 4.820 14.850 ( 2.649 -4.588 -0.964) 5.385======================= Grid point 274 (43/81) =======================q-point: ( 0.13 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.698 ( 11.070 19.174 5.137) 22.728 1.843 ( 10.722 18.571 -2.094) 21.546 1.999 ( 6.227 10.785 -9.654) 15.758 2.058 ( 8.312 14.397 -11.110) 19.995 2.680 ( 4.608 7.982 18.309) 20.498 2.687 ( 5.243 9.082 13.246) 16.894 2.972 ( 15.338 26.566 10.412) 32.394 3.148 ( 3.748 6.492 -10.402) 12.821 3.419 ( 0.595 1.030 -14.285) 14.335 3.541 ( 3.859 6.684 -1.785) 7.921 3.712 ( 8.201 14.204 -9.119) 18.767 3.778 ( 3.137 5.433 -1.024) 6.357 4.030 ( 3.648 6.319 7.521) 10.478 4.173 ( 3.075 5.327 4.321) 7.517 4.405 ( 7.292 12.629 -0.674) 14.599 4.414 ( 1.640 2.841 0.205) 3.287 5.117 ( -3.331 -5.770 4.191) 7.871 5.311 ( -2.462 -4.264 -4.321) 6.551 9.588 ( -7.470 -12.939 2.375) 15.128 9.692 ( -6.260 -10.842 -2.220) 12.715 10.837 ( -5.463 -9.463 0.531) 10.939 10.845 ( -2.456 -4.255 0.339) 4.925 11.091 ( -8.439 -14.617 7.511) 18.475 11.476 ( -6.219 -10.772 -9.162) 15.448 12.259 ( 2.765 4.789 2.193) 5.949 12.485 ( 2.414 4.181 -11.220) 12.214 13.905 ( 3.752 6.499 21.521) 22.792 14.194 ( 2.243 3.886 1.329) 4.680 14.446 ( 3.209 5.557 0.588) 6.444 14.817 ( -5.172 -8.958 -11.741) 15.648======================= Grid point 275 (44/81) =======================q-point: ( 0.20 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.067 ( 8.051 19.973 2.053) 21.633 2.195 ( 9.471 12.742 -4.438) 16.485 2.225 ( 9.219 10.449 -0.518) 13.945 2.370 ( 9.249 15.872 -7.162) 19.717 2.857 ( 5.188 9.784 11.608) 16.043 2.884 ( 7.038 8.871 12.069) 16.549 3.284 ( 3.278 7.406 -9.315) 12.344 3.417 ( 0.720 -2.448 -9.838) 10.164 3.482 ( 15.733 17.897 3.411) 24.072 3.654 ( 3.649 4.443 3.152) 6.557 3.876 ( 2.202 5.485 0.601) 5.941 4.000 ( 8.488 10.831 -9.495) 16.718 4.117 ( 0.247 5.057 5.947) 7.810 4.252 ( 0.760 2.576 0.943) 2.847 4.540 ( 6.661 6.929 2.249) 9.871 4.670 ( 8.676 10.631 -3.511) 14.164 5.055 ( 0.227 -1.182 5.474) 5.605 5.252 ( 0.664 -3.219 -3.613) 4.884 9.307 ( -9.509 -12.754 2.846) 16.161 9.433 ( -10.612 -10.875 -2.776) 15.447 10.641 ( -7.721 -5.334 -0.183) 9.386 10.652 ( -9.348 -7.864 -0.792) 12.241 10.909 ( -0.904 -8.045 9.371) 12.383 11.296 ( -0.364 -16.238 -8.149) 18.171 12.363 ( 2.640 6.625 2.384) 7.520 12.544 ( -1.047 6.463 -6.720) 9.383 14.026 ( -0.520 9.822 10.875) 14.663 14.273 ( 4.450 0.516 -0.614) 4.521 14.518 ( 0.310 2.359 0.869) 2.533 14.715 ( 1.989 -6.261 -6.416) 9.183======================= Grid point 276 (45/81) =======================q-point: ( 0.27 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.366 ( 4.816 16.318 0.398) 17.018 2.421 ( 5.818 10.830 -0.070) 12.294 2.535 ( 9.823 12.547 -0.660) 15.949 2.672 ( 7.378 13.825 -5.155) 16.497 3.040 ( 3.497 10.866 9.006) 14.540 3.111 ( 8.719 8.152 6.855) 13.764 3.362 ( 0.118 0.791 -5.664) 5.720 3.451 ( 3.490 3.468 -6.953) 8.518 3.743 ( 2.691 5.007 1.416) 5.858 3.794 ( 4.372 2.541 -0.677) 5.102 4.045 ( 9.998 9.795 3.719) 14.482 4.120 ( -2.928 6.177 1.886) 7.091 4.215 ( -0.382 3.020 -1.785) 3.529 4.276 ( 3.408 4.474 -5.334) 7.751 4.744 ( 8.263 5.654 3.967) 10.770 4.894 ( 6.372 7.170 -2.940) 10.033 5.088 ( 3.534 0.247 5.641) 6.661 5.289 ( 7.185 -2.767 -3.762) 8.569 9.017 ( -9.103 -11.504 2.079) 14.817 9.116 ( -13.186 -9.563 -2.374) 16.461 10.435 ( -5.661 -4.616 1.794) 7.521 10.515 ( -3.871 -2.168 -1.685) 4.746 10.813 ( -1.431 -7.920 6.978) 10.652 11.108 ( -1.969 -17.352 -6.044) 18.480 12.484 ( 2.635 8.069 1.581) 8.634 12.593 ( -1.725 8.361 -3.476) 9.218 14.076 ( -3.820 8.518 5.958) 11.075 14.335 ( 0.570 1.181 -6.755) 6.881 14.550 ( 4.377 -1.678 5.379) 7.135 14.718 ( 4.554 -6.611 -3.115) 8.611======================= Grid point 277 (46/81) =======================q-point: ( 0.33 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.567 ( 4.272 8.778 1.497) 9.876 2.617 ( 0.547 15.212 -1.877) 15.337 2.792 ( 4.952 11.954 -0.220) 12.941 2.882 ( 3.747 7.710 -4.985) 9.917 3.191 ( 1.548 10.152 8.364) 13.245 3.310 ( 3.942 4.271 1.958) 6.133 3.399 ( 5.005 3.557 2.060) 6.477 3.543 ( 1.183 5.143 -7.609) 9.260 3.812 ( 0.161 2.926 1.121) 3.138 3.827 ( -0.520 1.327 1.731) 2.242 4.116 ( -4.091 6.049 0.057) 7.303 4.152 ( -6.497 2.732 -0.696) 7.083 4.303 ( 8.653 5.001 -0.974) 10.042 4.404 ( 4.897 1.584 -4.920) 7.120 4.911 ( 5.745 2.400 4.204) 7.513 5.042 ( 4.775 3.047 -2.117) 6.048 5.169 ( 5.518 -0.457 6.845) 8.804 5.416 ( 9.744 -3.742 -4.614) 11.412 8.777 ( -6.072 -9.076 0.434) 10.928 8.810 ( -11.443 -6.672 -1.032) 13.286 10.368 ( 1.425 -1.557 2.013) 2.917 10.463 ( -0.727 -0.397 -2.131) 2.287 10.701 ( -2.303 -7.390 4.696) 9.054 10.882 ( -4.293 -16.017 -3.240) 16.896 12.606 ( 1.212 8.602 0.499) 8.701 12.648 ( -2.455 9.309 -1.312) 9.716 14.081 ( -4.045 6.680 4.649) 9.088 14.323 ( -1.549 -0.257 -7.041) 7.214 14.629 ( 6.087 -2.548 3.870) 7.650 14.724 ( 4.373 -7.617 -1.280) 8.875======================= Grid point 278 (47/81) =======================q-point: ( 0.40 0.13 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.692 ( 1.556 5.025 -0.449) 5.279 2.725 ( -5.814 15.019 -1.427) 16.168 2.934 ( -0.408 8.178 -0.629) 8.212 2.957 ( 0.190 1.604 -4.129) 4.434 3.298 ( 0.889 6.028 9.851) 11.583 3.357 ( -3.607 7.535 3.225) 8.955 3.552 ( 4.814 3.187 0.334) 5.783 3.586 ( -1.337 3.814 -7.049) 8.126 3.811 ( -1.123 1.201 0.720) 1.795 3.824 ( -3.063 3.079 1.449) 4.579 4.080 ( -5.842 5.860 0.943) 8.328 4.109 ( -2.949 4.782 -0.843) 5.681 4.439 ( 4.259 -0.013 -2.839) 5.119 4.466 ( 1.987 -1.357 -3.775) 4.477 4.992 ( 2.610 -0.632 3.626) 4.512 5.117 ( 2.437 -0.649 -2.342) 3.441 5.250 ( 4.337 -2.270 7.805) 9.213 5.515 ( 6.875 -6.498 -4.718) 10.571 8.616 ( -4.817 -1.991 0.140) 5.215 8.640 ( -0.822 -5.763 -0.886) 5.888 10.438 ( 5.952 0.556 -0.146) 5.979 10.473 ( 1.239 0.649 -1.433) 2.002 10.600 ( -0.312 -6.806 2.547) 7.274 10.658 ( -3.456 -12.853 0.287) 13.312 12.683 ( -2.968 8.612 -0.173) 9.110 12.687 ( -3.156 8.353 -0.175) 8.931 14.077 ( -3.555 5.838 4.270) 8.060 14.298 ( -0.094 -1.395 -5.892) 6.055 14.688 ( 3.744 -3.307 1.643) 5.259 14.721 ( 4.461 -8.026 -0.201) 9.185======================= Grid point 290 (48/81) =======================q-point: ( 0.20 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.373 ( 5.371 9.302 1.743) 10.882 2.481 ( 8.001 13.858 -4.208) 16.546 2.498 ( 10.714 18.557 1.864) 21.509 2.684 ( 8.360 14.480 -6.753) 18.032 3.064 ( 6.041 10.463 7.595) 14.271 3.076 ( 5.631 9.753 9.944) 15.023 3.366 ( -1.049 -1.817 -3.739) 4.288 3.435 ( 4.006 6.939 -7.624) 11.060 3.748 ( 2.842 4.922 1.958) 6.011 3.756 ( 4.386 7.597 -3.055) 9.288 4.012 ( 5.343 9.254 4.807) 11.717 4.181 ( 3.735 6.469 -6.271) 9.753 4.213 ( 2.676 4.635 2.608) 5.954 4.296 ( 0.922 1.598 -0.278) 1.866 4.694 ( 4.657 8.067 3.887) 10.093 4.880 ( 5.544 9.603 -4.394) 11.927 5.057 ( 0.641 1.110 4.238) 4.427 5.199 ( -0.879 -1.522 -2.483) 3.042 9.039 ( -7.711 -13.356 3.195) 15.750 9.188 ( -7.650 -13.250 -3.461) 15.686 10.473 ( -4.744 -8.218 1.086) 9.551 10.545 ( -2.735 -4.736 -1.870) 5.780 10.779 ( -3.119 -5.402 6.561) 9.052 11.017 ( -6.837 -11.842 -4.300) 14.334 12.504 ( 4.276 7.407 2.280) 8.852 12.656 ( 2.923 5.062 -4.698) 7.499 14.217 ( 4.284 7.419 3.755) 9.354 14.276 ( 0.610 1.056 0.623) 1.369 14.537 ( -0.655 -1.135 -0.099) 1.315 14.603 ( -2.319 -4.016 -2.725) 5.379======================= Grid point 291 (49/81) =======================q-point: ( 0.27 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.544 ( 5.054 7.038 4.156) 9.609 2.736 ( 5.549 13.167 -4.780) 15.066 2.850 ( 6.420 18.753 -1.399) 19.871 2.918 ( 3.556 9.519 -6.605) 12.120 3.240 ( 2.832 7.354 8.933) 11.913 3.277 ( 6.433 8.372 5.452) 11.883 3.376 ( 2.796 4.224 2.359) 5.588 3.558 ( 2.733 5.208 -6.343) 8.650 3.824 ( 0.637 1.395 -0.689) 1.681 3.845 ( 2.252 4.695 -0.138) 5.209 4.214 ( 5.915 6.802 -0.782) 9.048 4.234 ( -2.162 3.950 -1.495) 4.744 4.286 ( -1.840 4.562 1.135) 5.048 4.346 ( 3.752 2.057 -2.750) 5.086 4.848 ( 4.982 4.532 5.160) 8.484 5.026 ( 1.886 5.641 -3.079) 6.697 5.089 ( 2.465 -0.283 3.422) 4.227 5.220 ( 6.651 -3.833 -2.596) 8.104 8.787 ( -6.654 -10.936 2.494) 13.042 8.913 ( -9.428 -10.453 -3.186) 14.433 10.348 ( -2.004 -3.859 2.563) 5.048 10.470 ( -1.502 -2.216 -2.817) 3.886 10.674 ( -2.549 -5.957 3.817) 7.520 10.797 ( -4.278 -13.351 -1.775) 14.132 12.656 ( 3.429 8.743 1.519) 9.514 12.755 ( 0.945 7.756 -2.847) 8.315 14.239 ( -5.294 6.961 2.100) 8.994 14.359 ( 0.105 1.238 -4.170) 4.351 14.499 ( 2.999 -2.992 3.192) 5.304 14.567 ( 3.615 -8.014 -0.753) 8.824======================= Grid point 292 (50/81) =======================q-point: ( 0.33 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.686 ( 3.722 5.313 3.354) 7.303 2.921 ( 1.765 8.782 -8.493) 12.344 2.997 ( -1.544 5.867 -0.727) 6.111 3.063 ( -1.510 14.118 -1.494) 14.276 3.347 ( 1.590 7.625 9.818) 12.533 3.430 ( 3.137 5.260 2.958) 6.802 3.540 ( 4.386 10.585 2.661) 11.762 3.628 ( 0.371 3.019 -5.323) 6.131 3.839 ( -0.336 1.586 0.962) 1.885 3.912 ( -0.823 5.304 -2.034) 5.740 4.208 ( -3.812 3.071 -0.381) 4.910 4.244 ( -5.498 4.825 0.516) 7.333 4.363 ( 4.407 0.714 -2.335) 5.038 4.421 ( 2.502 1.200 -2.987) 4.077 4.942 ( 2.757 0.804 4.323) 5.190 5.076 ( 1.225 0.214 -2.027) 2.378 5.144 ( 4.599 -1.865 4.371) 6.613 5.310 ( 8.220 -6.434 -3.101) 10.889 8.605 ( -3.048 -7.594 1.285) 8.283 8.681 ( -6.637 -6.110 -2.103) 9.264 10.333 ( 3.592 -1.969 2.676) 4.893 10.451 ( 1.177 -1.132 -2.600) 3.070 10.571 ( -2.570 -5.338 1.121) 6.029 10.596 ( -4.025 -11.520 0.109) 12.203 12.783 ( 0.629 8.592 0.863) 8.658 12.838 ( -1.656 9.265 -1.466) 9.525 14.216 ( -4.864 6.463 1.801) 8.287 14.305 ( -2.933 -1.588 -2.141) 3.963 14.549 ( 4.645 -8.944 0.632) 10.098 14.572 ( 5.656 -3.133 -0.217) 6.469======================= Grid point 293 (51/81) =======================q-point: ( 0.40 0.20 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.754 ( -1.354 2.346 1.990) 3.361 2.952 ( 0.127 -0.220 -6.218) 6.223 3.037 ( -7.035 12.185 -1.123) 14.115 3.109 ( -4.644 8.043 0.058) 9.288 3.409 ( -4.565 7.906 11.555) 14.727 3.489 ( -0.143 0.247 -0.891) 0.936 3.641 ( -1.223 2.119 -4.555) 5.171 3.651 ( -4.807 8.326 1.393) 9.714 3.844 ( -1.194 2.068 1.364) 2.750 3.924 ( -3.361 5.821 -2.148) 7.056 4.184 ( -1.298 2.247 0.015) 2.595 4.214 ( -3.830 6.634 1.230) 7.759 4.402 ( 1.883 -3.261 -2.467) 4.501 4.451 ( -0.351 0.608 -3.474) 3.545 4.969 ( 0.755 -1.307 3.446) 3.762 5.087 ( 1.179 -2.042 -1.787) 2.959 5.180 ( 2.516 -4.358 4.745) 6.916 5.352 ( 5.302 -9.183 -3.024) 11.027 8.539 ( 2.332 -4.040 0.692) 4.716 8.588 ( 0.573 -0.992 -1.505) 1.891 10.416 ( 3.882 -6.725 2.147) 8.056 10.435 ( 2.572 -4.456 0.747) 5.199 10.484 ( 0.094 -0.163 -0.953) 0.971 10.498 ( 1.550 -2.685 -0.971) 3.249 12.835 ( -3.816 6.610 0.649) 7.660 12.872 ( -4.991 8.644 -0.945) 10.026 14.205 ( -3.861 6.687 1.481) 7.863 14.268 ( 0.687 -1.189 -1.247) 1.855 14.543 ( 5.256 -9.104 1.370) 10.601 14.609 ( 2.578 -4.465 -1.582) 5.393======================= Grid point 307 (52/81) =======================q-point: ( 0.27 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.680 ( 3.649 6.320 4.525) 8.586 2.936 ( 2.947 5.104 -7.915) 9.868 3.042 ( 3.020 5.231 0.151) 6.042 3.185 ( 6.849 11.863 -7.363) 15.552 3.337 ( 2.280 3.950 8.043) 9.246 3.472 ( 6.078 10.528 6.177) 13.635 3.535 ( 5.526 9.571 4.954) 12.111 3.640 ( 1.756 3.042 -4.179) 5.459 3.849 ( 0.805 1.394 0.891) 1.840 3.945 ( 2.781 4.816 -3.059) 6.347 4.268 ( -0.340 -0.589 -1.694) 1.826 4.311 ( 1.124 1.947 -4.053) 4.635 4.339 ( 0.091 0.158 1.865) 1.874 4.405 ( 2.765 4.790 -1.195) 5.658 4.922 ( 1.539 2.666 5.400) 6.216 5.073 ( -0.634 -1.098 1.125) 1.695 5.109 ( 0.917 1.589 -2.087) 2.779 5.159 ( -0.478 -0.829 -1.401) 1.697 8.593 ( -4.543 -7.868 2.256) 9.362 8.710 ( -5.259 -9.109 -2.974) 10.930 10.291 ( -0.850 -1.473 2.699) 3.190 10.430 ( -1.083 -1.875 -3.659) 4.251 10.569 ( -2.603 -4.509 1.119) 5.325 10.573 ( -5.058 -8.761 1.075) 10.173 12.823 ( 4.250 7.362 1.389) 8.613 12.903 ( 3.843 6.656 -2.093) 7.966 14.329 ( 0.990 1.714 0.315) 2.004 14.358 ( -1.964 -3.401 -1.095) 4.077 14.422 ( -2.664 -4.615 1.531) 5.544 14.471 ( 0.795 1.377 -0.571) 1.689======================= Grid point 308 (53/81) =======================q-point: ( 0.33 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.788 ( 1.696 4.745 3.187) 5.962 2.940 ( -0.804 -2.329 -2.834) 3.756 3.177 ( 2.191 8.718 -0.596) 9.009 3.274 ( -5.068 6.151 -2.623) 8.391 3.426 ( 4.678 -1.215 1.861) 5.179 3.601 ( -3.120 9.630 1.247) 10.200 3.683 ( -0.599 5.446 1.077) 5.584 3.766 ( 5.159 9.703 2.935) 11.375 3.878 ( 0.265 1.927 2.229) 2.959 4.014 ( -0.860 3.739 -4.056) 5.584 4.211 ( -2.542 -2.192 -1.193) 3.562 4.302 ( -0.758 -1.548 -3.712) 4.093 4.353 ( 0.090 1.249 3.172) 3.410 4.484 ( 0.349 4.007 -2.653) 4.819 4.955 ( 0.403 0.794 3.474) 3.586 5.047 ( 0.392 -2.850 0.419) 2.908 5.109 ( 0.595 -1.273 0.148) 1.413 5.179 ( 4.458 -5.841 -1.727) 7.548 8.483 ( -0.835 -4.274 1.806) 4.714 8.574 ( -1.958 -4.095 -2.263) 5.072 10.295 ( 2.887 -1.424 1.739) 3.658 10.373 ( -1.120 -5.931 -1.662) 6.260 10.470 ( -0.463 -1.283 0.650) 1.511 10.495 ( -1.627 -2.498 -0.378) 3.005 12.932 ( 0.200 5.608 1.530) 5.817 13.005 ( -0.516 6.692 -1.671) 6.917 14.268 ( -2.665 -1.537 1.326) 3.351 14.326 ( -2.384 2.383 -1.409) 3.653 14.388 ( 2.308 -4.276 2.989) 5.705 14.514 ( 3.427 -2.994 -2.726) 5.305======================= Grid point 323 (54/81) =======================q-point: ( 0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.875 ( -1.928 -3.339 1.316) 4.074 2.875 ( 1.928 3.339 1.316) 4.074 3.311 ( -1.681 -2.912 -3.444) 4.813 3.311 ( 1.681 2.912 -3.444) 4.813 3.385 ( -0.000 -0.000 6.002) 6.002 3.658 ( -0.000 -0.000 -6.280) 6.280 3.854 ( -1.985 -3.437 5.266) 6.595 3.854 ( 1.985 3.437 5.266) 6.595 3.897 ( -0.000 -0.000 2.359) 2.359 4.024 ( -0.000 -0.000 -3.720) 3.720 4.221 ( -2.005 -3.472 -3.813) 5.533 4.221 ( 2.005 3.472 -3.813) 5.533 4.381 ( -0.000 -0.000 4.676) 4.676 4.532 ( -0.000 -0.000 -2.611) 2.611 4.987 ( -1.263 -2.187 1.883) 3.150 4.987 ( 1.263 2.187 1.883) 3.150 5.104 ( -0.673 -1.166 -1.186) 1.794 5.104 ( 0.673 1.166 -1.186) 1.794 8.439 ( -0.000 -0.000 1.960) 1.960 8.531 ( -0.000 -0.000 -2.108) 2.108 10.294 ( -0.848 -1.469 0.027) 1.697 10.294 ( 0.848 1.469 0.027) 1.697 10.466 ( -0.285 -0.494 -0.149) 0.589 10.466 ( 0.285 0.494 -0.149) 0.589 12.991 ( -0.000 -0.000 1.981) 1.981 13.078 ( -0.000 -0.000 -1.875) 1.875 14.268 ( -1.050 -1.818 2.001) 2.900 14.268 ( 1.050 1.818 2.001) 2.900 14.444 ( -2.005 -3.473 -1.880) 4.429 14.444 ( 2.005 3.473 -1.880) 4.429======================= Grid point 482 (55/81) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( 0.000 0.000 -26.689) 26.689 0.988 ( 0.000 -0.000 -26.689) 26.689 0.988 ( 0.000 0.000 26.689) 26.689 0.988 ( -0.000 0.000 26.689) 26.689 1.674 ( 0.000 -0.000 -45.569) 45.569 1.674 ( -0.000 -0.000 45.569) 45.569 2.646 ( -0.000 -0.000 -16.408) 16.408 2.646 ( -0.000 0.000 -16.408) 16.408 2.646 ( -0.000 -0.000 16.408) 16.408 2.646 ( 0.000 0.000 16.408) 16.408 3.522 ( -0.000 0.000 -5.049) 5.049 3.522 ( -0.000 0.000 -5.049) 5.049 3.522 ( 0.000 -0.000 5.049) 5.049 3.522 ( -0.000 -0.000 5.049) 5.049 4.590 ( 0.000 0.000 -30.792) 30.792 4.590 ( -0.000 0.000 30.792) 30.792 6.073 ( 0.000 0.000 -9.148) 9.148 6.073 ( 0.000 0.000 9.148) 9.148 10.138 ( -0.000 0.000 -2.658) 2.658 10.138 ( 0.000 0.000 -2.658) 2.658 10.138 ( 0.000 -0.000 2.658) 2.658 10.138 ( 0.000 -0.000 2.658) 2.658 12.063 ( 0.000 0.000 -3.245) 3.245 12.063 ( -0.000 0.000 -3.245) 3.245 12.063 ( 0.000 -0.000 3.245) 3.245 12.063 ( -0.000 0.000 3.245) 3.245 13.786 ( 0.000 0.000 -2.480) 2.480 13.786 ( 0.000 0.000 2.480) 2.480 16.382 ( -0.000 -0.000 -5.008) 5.008 16.382 ( -0.000 0.000 5.008) 5.008======================= Grid point 484 (56/81) =======================q-point: ( 0.07 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.053 ( 6.880 3.972 -24.707) 25.953 1.053 ( 6.880 3.972 24.707) 25.953 1.082 ( 7.647 4.415 -23.676) 25.269 1.082 ( 7.647 4.415 23.676) 25.269 1.907 ( 17.708 10.224 -37.351) 42.582 1.907 ( 17.708 10.224 37.351) 42.582 2.668 ( 1.858 1.073 -16.104) 16.246 2.668 ( 1.858 1.073 16.104) 16.246 2.739 ( 7.383 4.263 -16.816) 18.854 2.739 ( 7.383 4.263 16.816) 18.854 3.535 ( 1.105 0.638 -5.086) 5.244 3.535 ( 1.105 0.638 5.086) 5.244 3.617 ( 7.507 4.334 -4.266) 9.661 3.617 ( 7.507 4.334 4.266) 9.661 4.519 ( -5.350 -3.089 -23.819) 24.607 4.519 ( -5.350 -3.089 23.819) 24.607 5.792 ( -17.308 -9.993 -9.816) 22.266 5.792 ( -17.308 -9.993 9.816) 22.266 10.096 ( -3.590 -2.073 -1.822) 4.529 10.096 ( -3.590 -2.073 1.822) 4.529 10.499 ( 22.359 12.909 -8.585) 27.208 10.499 ( 22.359 12.909 8.585) 27.208 11.992 ( -6.045 -3.490 -4.174) 8.133 11.992 ( -6.045 -3.490 4.174) 8.133 12.070 ( 0.641 0.370 -2.730) 2.828 12.070 ( 0.641 0.370 2.730) 2.828 13.859 ( 5.847 3.376 -2.415) 7.171 13.859 ( 5.847 3.376 2.415) 7.171 15.748 ( -41.715 -24.084 -29.613) 56.543 15.748 ( -41.715 -24.084 29.613) 56.543======================= Grid point 486 (57/81) =======================q-point: ( 0.13 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.316 ( 11.813 6.820 -18.012) 22.594 1.316 ( 11.813 6.820 18.012) 22.594 1.320 ( 15.212 8.783 -15.450) 23.393 1.320 ( 15.212 8.783 15.450) 23.393 2.396 ( 22.624 13.062 -23.469) 35.118 2.396 ( 22.624 13.062 23.469) 35.118 2.732 ( 3.621 2.090 -15.312) 15.873 2.732 ( 3.621 2.090 15.312) 15.873 2.952 ( 10.280 5.935 -14.817) 18.985 2.952 ( 10.280 5.935 14.817) 18.985 3.573 ( 2.131 1.231 -5.206) 5.758 3.573 ( 2.131 1.231 5.206) 5.758 3.837 ( 10.674 6.163 -5.108) 13.342 3.837 ( 10.674 6.163 5.108) 13.342 4.397 ( -3.974 -2.294 -12.302) 13.129 4.397 ( -3.974 -2.294 12.302) 13.129 5.459 ( -10.710 -6.183 -0.920) 12.401 5.459 ( -10.710 -6.183 0.920) 12.401 9.967 ( -7.597 -4.386 -0.099) 8.772 9.967 ( -7.597 -4.386 0.099) 8.772 10.873 ( 7.441 4.296 -10.164) 13.309 10.873 ( 7.441 4.296 10.164) 13.309 11.798 ( -9.727 -5.616 -12.133) 16.534 11.798 ( -9.727 -5.616 12.133) 16.534 12.098 ( 1.844 1.064 -1.463) 2.583 12.098 ( 1.844 1.064 1.463) 2.583 14.017 ( 6.500 3.753 -2.213) 7.825 14.017 ( 6.500 3.753 2.213) 7.825 14.930 ( -24.297 -14.028 -36.840) 46.306 14.930 ( -24.297 -14.028 36.840) 46.306======================= Grid point 488 (58/81) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.609 ( 12.998 7.505 -13.356) 20.091 1.609 ( 12.998 7.505 13.356) 20.091 1.715 ( 17.881 10.324 -7.129) 21.844 1.715 ( 17.881 10.324 7.129) 21.844 2.833 ( 4.970 2.869 -14.311) 15.419 2.833 ( 4.970 2.869 14.311) 15.419 2.877 ( 16.397 9.467 -6.120) 19.899 2.877 ( 16.397 9.467 6.120) 19.899 3.226 ( 14.599 8.428 -5.541) 17.744 3.226 ( 14.599 8.428 5.541) 17.744 3.633 ( 2.967 1.713 -5.435) 6.425 3.633 ( 2.967 1.713 5.435) 6.425 4.071 ( 7.978 4.606 -7.014) 11.578 4.071 ( 7.978 4.606 7.014) 11.578 4.375 ( 3.069 1.772 -4.209) 5.502 4.375 ( 3.069 1.772 4.209) 5.502 5.279 ( -5.060 -2.922 -5.484) 8.014 5.279 ( -5.060 -2.922 5.484) 8.014 9.744 ( -11.448 -6.610 -1.720) 13.331 9.744 ( -11.448 -6.610 1.720) 13.331 10.853 ( -7.279 -4.202 -4.673) 9.617 10.853 ( -7.279 -4.202 4.673) 9.617 11.588 ( -7.970 -4.602 -21.650) 23.525 11.588 ( -7.970 -4.602 21.650) 23.525 12.158 ( 3.331 1.923 -0.160) 3.849 12.158 ( 3.331 1.923 0.160) 3.849 14.108 ( 0.963 0.556 -9.231) 9.298 14.108 ( 0.963 0.556 9.231) 9.298 14.641 ( -2.408 -1.390 -21.776) 21.953 14.641 ( -2.408 -1.390 21.776) 21.953======================= Grid point 490 (59/81) =======================q-point: ( 0.27 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 12.266 7.082 -10.476) 17.617 1.906 ( 12.266 7.082 10.476) 17.617 2.123 ( 16.732 9.660 -2.124) 19.437 2.123 ( 16.732 9.660 2.124) 19.437 2.957 ( 5.500 3.175 -13.329) 14.764 2.957 ( 5.500 3.175 13.329) 14.764 3.126 ( 6.820 3.937 -18.217) 19.846 3.126 ( 6.820 3.937 18.217) 19.846 3.642 ( 19.173 11.069 -14.159) 26.279 3.642 ( 19.173 11.069 14.159) 26.279 3.709 ( 3.465 2.001 -5.768) 7.020 3.709 ( 3.465 2.001 5.768) 7.020 4.151 ( -0.515 -0.297 -6.890) 6.916 4.151 ( -0.515 -0.297 6.890) 6.916 4.554 ( 10.776 6.221 -3.059) 12.813 4.554 ( 10.776 6.221 3.059) 12.813 5.223 ( 0.279 0.161 -7.355) 7.362 5.223 ( 0.279 0.161 7.355) 7.362 9.445 ( -13.902 -8.026 -1.796) 16.152 9.445 ( -13.902 -8.026 1.796) 16.152 10.642 ( -9.040 -5.219 -1.006) 10.487 10.642 ( -9.040 -5.219 1.006) 10.487 11.409 ( -7.914 -4.569 -20.679) 22.609 11.409 ( -7.914 -4.569 20.679) 22.609 12.249 ( 4.351 2.512 -0.430) 5.043 12.249 ( 4.351 2.512 0.430) 5.043 14.104 ( -0.397 -0.229 -13.254) 13.262 14.104 ( -0.397 -0.229 13.254) 13.262 14.685 ( 3.922 2.265 -11.254) 12.131 14.685 ( 3.922 2.265 11.254) 12.131======================= Grid point 492 (60/81) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.168 ( 10.040 5.797 -8.984) 14.667 2.168 ( 10.040 5.797 8.984) 14.667 2.477 ( 13.350 7.708 -2.603) 15.634 2.477 ( 13.350 7.708 2.603) 15.634 3.081 ( 5.003 2.888 -12.408) 13.687 3.081 ( 5.003 2.888 12.408) 13.687 3.260 ( 5.362 3.096 -13.108) 14.497 3.260 ( 5.362 3.096 13.108) 14.497 3.790 ( 3.434 1.983 -6.052) 7.235 3.790 ( 3.434 1.983 6.052) 7.235 4.036 ( 10.450 6.033 -9.876) 15.593 4.036 ( 10.450 6.033 9.876) 15.593 4.099 ( 0.061 0.035 -4.124) 4.125 4.099 ( 0.061 0.035 4.124) 4.125 4.806 ( 10.022 5.786 -3.449) 12.076 4.806 ( 10.022 5.786 3.449) 12.076 5.287 ( 4.840 2.794 -8.753) 10.385 5.287 ( 4.840 2.794 8.753) 10.385 9.117 ( -13.790 -7.962 -0.035) 15.924 9.117 ( -13.790 -7.962 0.035) 15.924 10.477 ( -4.841 -2.795 -1.751) 5.858 10.477 ( -4.841 -2.795 1.751) 5.858 11.212 ( -8.967 -5.177 -15.775) 18.870 11.212 ( -8.967 -5.177 15.775) 18.870 12.353 ( 4.379 2.528 -0.009) 5.057 12.353 ( 4.379 2.528 0.009) 5.057 14.101 ( 0.164 0.094 -12.585) 12.586 14.101 ( 0.164 0.094 12.585) 12.586 14.773 ( 3.265 1.885 -7.223) 8.148 14.773 ( 3.265 1.885 7.223) 8.148======================= Grid point 494 (61/81) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.364 ( 6.568 3.792 -8.287) 11.234 2.364 ( 6.568 3.792 8.287) 11.234 2.734 ( 8.542 4.932 -4.306) 10.763 2.734 ( 8.542 4.932 4.306) 10.763 3.182 ( 3.522 2.033 -11.537) 12.233 3.182 ( 3.522 2.033 11.537) 12.233 3.387 ( 5.472 3.160 -5.108) 8.125 3.387 ( 5.472 3.160 5.108) 8.125 3.863 ( 2.645 1.527 -6.105) 6.827 3.863 ( 2.645 1.527 6.105) 6.827 3.959 ( -5.596 -3.231 -6.247) 8.988 3.959 ( -5.596 -3.231 6.247) 8.988 4.328 ( 8.545 4.934 -3.696) 10.537 4.328 ( 8.545 4.934 3.696) 10.537 4.999 ( 6.362 3.673 -3.407) 8.098 4.999 ( 6.362 3.673 3.407) 8.098 5.421 ( 5.929 3.423 -10.496) 12.531 5.421 ( 5.929 3.423 10.496) 12.531 8.829 ( -10.381 -5.993 -2.673) 12.281 8.829 ( -10.381 -5.993 2.673) 12.281 10.419 ( -0.350 -0.202 -2.001) 2.041 10.419 ( -0.350 -0.202 2.001) 2.041 11.003 ( -8.610 -4.971 -10.129) 14.193 11.003 ( -8.610 -4.971 10.129) 14.193 12.444 ( 3.260 1.882 -1.026) 3.902 12.444 ( 3.260 1.882 1.026) 3.902 14.108 ( 0.310 0.179 -11.791) 11.797 14.108 ( 0.310 0.179 11.791) 11.797 14.831 ( 1.761 1.017 -4.707) 5.128 14.831 ( 1.761 1.017 4.707) 5.128======================= Grid point 496 (62/81) =======================q-point: ( 0.47 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.468 ( 2.279 1.316 -8.008) 8.429 2.468 ( 2.279 1.316 8.008) 8.429 2.868 ( 2.934 1.694 -2.535) 4.232 2.868 ( 2.934 1.694 2.535) 4.232 3.239 ( 1.276 0.737 -10.919) 11.018 3.239 ( 1.276 0.737 10.919) 11.018 3.499 ( 3.393 1.959 -6.461) 7.556 3.499 ( 3.393 1.959 6.461) 7.556 3.844 ( -3.492 -2.016 -3.429) 5.293 3.844 ( -3.492 -2.016 3.429) 5.293 3.907 ( 1.017 0.587 -6.004) 6.117 3.907 ( 1.017 0.587 6.004) 6.117 4.458 ( 2.705 1.562 -1.066) 3.300 4.458 ( 2.705 1.562 1.066) 3.300 5.098 ( 2.127 1.228 -3.676) 4.421 5.098 ( 2.127 1.228 3.676) 4.421 5.527 ( 2.616 1.511 -11.038) 11.444 5.527 ( 2.616 1.511 11.038) 11.444 8.658 ( -3.898 -2.250 -4.692) 6.501 8.658 ( -3.898 -2.250 4.692) 6.501 10.439 ( 1.295 0.748 -1.634) 2.215 10.439 ( 1.295 0.748 1.634) 2.215 10.840 ( -4.421 -2.553 -3.764) 6.343 10.840 ( -4.421 -2.553 3.764) 6.343 12.497 ( 1.208 0.697 -1.860) 2.325 12.497 ( 1.208 0.697 1.860) 2.325 14.113 ( 0.137 0.079 -11.425) 11.426 14.113 ( 0.137 0.079 11.425) 11.426 14.857 ( 0.526 0.304 -3.258) 3.314 14.857 ( 0.526 0.304 3.258) 3.314======================= Grid point 514 (63/81) =======================q-point: ( 0.07 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.220 ( 7.214 12.495 -13.901) 20.035 1.220 ( 7.214 12.495 13.901) 20.035 1.258 ( 7.180 12.436 -14.992) 20.760 1.258 ( 7.180 12.436 14.992) 20.760 2.253 ( 12.735 22.058 -27.675) 37.612 2.253 ( 12.735 22.058 27.675) 37.612 2.714 ( 2.007 3.477 -15.177) 15.699 2.714 ( 2.007 3.477 15.177) 15.699 2.886 ( 5.467 9.469 -15.731) 19.157 2.886 ( 5.467 9.469 15.731) 19.157 3.565 ( 1.317 2.281 -4.896) 5.559 3.565 ( 1.317 2.281 4.896) 5.559 3.768 ( 5.792 10.032 -4.058) 12.275 3.768 ( 5.792 10.032 4.058) 12.275 4.425 ( -2.890 -5.006 -15.071) 16.142 4.425 ( -2.890 -5.006 15.071) 16.142 5.532 ( -7.337 -12.707 -3.389) 15.060 5.532 ( -7.337 -12.707 3.389) 15.060 10.014 ( -3.601 -6.236 -0.359) 7.210 10.014 ( -3.601 -6.236 0.359) 7.210 10.813 ( 7.528 13.039 -11.482) 18.935 10.813 ( 7.528 13.039 11.482) 18.935 11.823 ( -7.126 -12.343 -4.287) 14.883 11.823 ( -7.126 -12.343 4.287) 14.883 12.118 ( 2.180 3.776 -0.545) 4.394 12.118 ( 2.180 3.776 0.545) 4.394 13.976 ( 4.246 7.353 -1.848) 8.690 13.976 ( 4.246 7.353 1.848) 8.690 15.100 ( -18.104 -31.357 -38.134) 52.585 15.100 ( -18.104 -31.357 38.134) 52.585======================= Grid point 516 (64/81) =======================q-point: ( 0.13 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.512 ( 10.263 12.832 -8.562) 18.528 1.512 ( 10.263 12.832 8.562) 18.528 1.573 ( 12.593 15.110 -5.327) 20.378 1.573 ( 12.593 15.110 5.327) 20.378 2.717 ( 15.393 16.997 -10.979) 25.424 2.717 ( 15.393 16.997 10.979) 25.424 2.805 ( 3.355 5.102 -13.114) 14.466 2.805 ( 3.355 5.102 13.114) 14.466 3.102 ( 9.152 8.956 -6.900) 14.546 3.102 ( 9.152 8.956 6.900) 14.546 3.625 ( 1.914 3.881 -5.016) 6.624 3.625 ( 1.914 3.881 5.016) 6.624 3.992 ( 7.936 8.706 -5.764) 13.115 3.992 ( 7.936 8.706 5.764) 13.115 4.362 ( -0.194 -0.403 -6.853) 6.867 4.362 ( -0.194 -0.403 6.853) 6.867 5.324 ( -5.264 -6.506 -3.847) 9.211 5.324 ( -5.264 -6.506 3.847) 9.211 9.842 ( -7.821 -8.054 -1.593) 11.339 9.842 ( -7.821 -8.054 1.593) 11.339 10.924 ( -2.797 -0.098 -5.694) 6.345 10.924 ( -2.797 -0.098 5.694) 6.345 11.560 ( -4.738 -15.542 -11.869) 20.122 11.560 ( -4.738 -15.542 11.869) 20.122 12.199 ( 0.557 6.957 -3.495) 7.805 12.199 ( 0.557 6.957 3.495) 7.805 14.108 ( 2.406 4.672 -3.526) 6.329 14.108 ( 2.406 4.672 3.526) 6.329 14.666 ( -6.736 -9.942 -28.067) 30.528 14.666 ( -6.736 -9.942 28.067) 30.528======================= Grid point 518 (65/81) =======================q-point: ( 0.20 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( 9.781 13.219 -9.235) 18.859 1.821 ( 9.781 13.219 9.235) 18.859 1.965 ( 14.585 13.925 -3.358) 20.443 1.965 ( 14.585 13.925 3.358) 20.443 2.924 ( 3.897 6.014 -12.642) 14.532 2.924 ( 3.897 6.014 12.642) 14.532 3.047 ( 8.046 6.817 -15.426) 18.686 3.047 ( 8.046 6.817 15.426) 18.686 3.429 ( 15.984 11.079 -12.923) 23.350 3.429 ( 15.984 11.079 12.923) 23.350 3.711 ( 2.486 6.174 -4.496) 8.032 3.711 ( 2.486 6.174 4.496) 8.032 4.156 ( 2.017 3.666 -6.294) 7.558 4.156 ( 2.017 3.666 6.294) 7.558 4.450 ( 7.723 5.706 -1.885) 9.785 4.450 ( 7.723 5.706 1.885) 9.785 5.217 ( -1.386 -3.036 -6.592) 7.389 5.217 ( -1.386 -3.036 6.592) 7.389 9.583 ( -11.504 -9.274 -2.645) 15.012 9.583 ( -11.504 -9.274 2.645) 15.012 10.761 ( -10.121 -5.080 -2.550) 11.608 10.761 ( -10.121 -5.080 2.550) 11.608 11.374 ( -0.554 -13.896 -17.705) 22.514 11.374 ( -0.554 -13.896 17.705) 22.514 12.277 ( 0.079 7.870 -3.516) 8.620 12.277 ( 0.079 7.870 3.516) 8.620 14.140 ( -1.877 2.643 -11.053) 11.518 14.140 ( -1.877 2.643 11.053) 11.518 14.614 ( 4.102 -1.327 -13.592) 14.259 14.614 ( 4.102 -1.327 13.592) 14.259======================= Grid point 520 (66/81) =======================q-point: ( 0.27 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.109 ( 7.963 12.707 -7.609) 16.816 2.109 ( 7.963 12.707 7.609) 16.816 2.339 ( 13.120 11.446 -2.459) 17.584 2.339 ( 13.120 11.446 2.459) 17.584 3.053 ( 3.696 6.281 -11.476) 13.594 3.053 ( 3.696 6.281 11.476) 13.594 3.204 ( 5.201 3.969 -14.721) 16.110 3.204 ( 5.201 3.969 14.721) 16.110 3.726 ( 6.924 2.405 -4.265) 8.480 3.726 ( 6.924 2.405 4.265) 8.480 3.911 ( 11.423 12.087 -8.340) 18.604 3.911 ( 11.423 12.087 8.340) 18.604 4.154 ( -3.783 0.873 -5.807) 6.985 4.154 ( -3.783 0.873 5.807) 6.985 4.688 ( 10.429 6.863 -3.778) 13.044 4.688 ( 10.429 6.863 3.778) 13.044 5.220 ( 3.704 -0.550 -7.384) 8.279 5.220 ( 3.704 -0.550 7.384) 8.279 9.268 ( -13.247 -9.446 -1.981) 16.390 9.268 ( -13.247 -9.446 1.981) 16.390 10.550 ( -7.480 -4.016 -0.882) 8.535 10.550 ( -7.480 -4.016 0.882) 8.535 11.220 ( -2.505 -12.343 -15.609) 20.057 11.220 ( -2.505 -12.343 15.609) 20.057 12.364 ( 0.867 7.685 -2.190) 8.038 12.364 ( 0.867 7.685 2.190) 8.038 14.131 ( -1.905 2.734 -11.751) 12.214 14.131 ( -1.905 2.734 11.751) 12.214 14.697 ( 5.570 -1.095 -8.180) 9.956 14.697 ( 5.570 -1.095 8.180) 9.956======================= Grid point 522 (67/81) =======================q-point: ( 0.33 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.344 ( 4.872 11.290 -6.484) 13.902 2.344 ( 4.872 11.290 6.484) 13.902 2.639 ( 9.528 8.174 -4.058) 13.193 2.639 ( 9.528 8.174 4.058) 13.193 3.174 ( 2.654 6.283 -10.218) 12.285 3.174 ( 2.654 6.283 10.218) 12.285 3.331 ( 4.966 3.992 -7.909) 10.156 3.331 ( 4.966 3.992 7.909) 10.156 3.820 ( 2.993 0.934 -4.056) 5.127 3.820 ( 2.993 0.934 4.056) 5.127 4.067 ( -6.534 1.450 -5.135) 8.436 4.067 ( -6.534 1.450 5.135) 8.436 4.216 ( 10.430 6.818 -5.372) 13.569 4.216 ( 10.430 6.818 5.372) 13.569 4.913 ( 8.046 4.635 -3.543) 9.938 4.913 ( 8.046 4.635 3.543) 9.938 5.322 ( 7.289 0.529 -8.970) 11.570 5.322 ( 7.289 0.529 8.970) 11.570 8.954 ( -11.872 -8.153 -0.275) 14.405 8.954 ( -11.872 -8.153 0.275) 14.405 10.436 ( -2.520 -1.395 -2.417) 3.760 10.436 ( -2.520 -1.395 2.417) 3.760 11.037 ( -4.672 -11.132 -11.300) 16.536 11.037 ( -4.672 -11.132 11.300) 16.536 12.457 ( 0.890 7.167 -0.613) 7.248 12.457 ( 0.890 7.167 0.613) 7.248 14.129 ( -1.366 2.437 -10.881) 11.234 14.129 ( -1.366 2.437 10.881) 11.234 14.769 ( 4.493 -2.228 -5.335) 7.322 14.769 ( 4.493 -2.228 5.335) 7.322======================= Grid point 524 (68/81) =======================q-point: ( 0.40 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.498 ( 0.781 9.167 -5.840) 10.897 2.498 ( 0.781 9.167 5.840) 10.897 2.828 ( 4.764 4.396 -3.662) 7.445 2.828 ( 4.764 4.396 3.662) 7.445 3.265 ( 0.300 6.155 -9.157) 11.037 3.265 ( 0.300 6.155 9.157) 11.037 3.454 ( 4.502 3.348 -3.218) 6.467 3.454 ( 4.502 3.348 3.218) 6.467 3.841 ( -0.391 -2.116 -0.789) 2.292 3.841 ( -0.391 -2.116 0.789) 2.292 3.986 ( -4.981 4.489 -0.532) 6.726 3.986 ( -4.981 4.489 0.532) 6.726 4.402 ( 5.615 2.203 -2.179) 6.413 4.402 ( 5.615 2.203 2.179) 6.413 5.053 ( 4.426 1.565 -3.637) 5.939 5.053 ( 4.426 1.565 3.637) 5.939 5.451 ( 6.472 -0.526 -10.129) 12.031 5.451 ( 6.472 -0.526 10.129) 12.031 8.716 ( -6.955 -5.132 -2.694) 9.053 8.716 ( -6.955 -5.132 2.694) 9.053 10.426 ( 1.151 0.807 -1.615) 2.141 10.426 ( 1.151 0.807 1.615) 2.141 10.851 ( -3.908 -9.492 -6.135) 11.959 10.851 ( -3.908 -9.492 6.135) 11.959 12.530 ( -0.557 6.333 -0.875) 6.417 12.530 ( -0.557 6.333 0.875) 6.417 14.130 ( -1.026 1.902 -10.330) 10.554 14.130 ( -1.026 1.902 10.330) 10.554 14.809 ( 3.248 -3.143 -3.264) 5.575 14.809 ( 3.248 -3.143 3.264) 5.575======================= Grid point 526 (69/81) =======================q-point: ( 0.47 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.552 ( -3.814 6.607 -5.637) 9.485 2.552 ( -3.814 6.607 5.637) 9.485 2.892 ( -0.505 0.874 -1.164) 1.541 2.892 ( -0.505 0.874 1.164) 1.541 3.299 ( -2.879 4.987 -8.721) 10.451 3.299 ( -2.879 4.987 8.721) 10.451 3.522 ( -0.117 0.202 -7.168) 7.172 3.522 ( -0.117 0.202 7.168) 7.172 3.807 ( 0.281 -0.487 -0.415) 0.698 3.807 ( 0.281 -0.487 0.415) 0.698 3.974 ( -2.900 5.023 -3.289) 6.668 3.974 ( -2.900 5.023 3.289) 6.668 4.461 ( 0.690 -1.196 -0.300) 1.413 4.461 ( 0.690 -1.196 0.300) 1.413 5.100 ( 0.615 -1.066 -3.747) 3.944 5.100 ( 0.615 -1.066 3.747) 3.944 5.509 ( 1.922 -3.329 -10.253) 10.950 5.509 ( 1.922 -3.329 10.253) 10.950 8.627 ( 0.470 -0.813 -3.769) 3.884 8.627 ( 0.470 -0.813 3.769) 3.884 10.453 ( -0.272 0.471 -1.396) 1.498 10.453 ( -0.272 0.471 1.396) 1.498 10.755 ( 3.172 -5.495 -0.207) 6.348 10.755 ( 3.172 -5.495 0.207) 6.348 12.558 ( -2.922 5.061 -1.420) 6.014 12.558 ( -2.922 5.061 1.420) 6.014 14.131 ( -0.938 1.625 -10.149) 10.321 14.131 ( -0.938 1.625 10.149) 10.321 14.821 ( 2.187 -3.788 -2.456) 5.017 14.821 ( 2.187 -3.788 2.456) 5.017======================= Grid point 548 (70/81) =======================q-point: ( 0.13 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( 9.026 15.633 -4.505) 18.605 1.806 ( 9.026 15.633 4.505) 18.605 1.906 ( 10.109 17.510 -1.943) 20.312 1.906 ( 10.109 17.510 1.943) 20.312 2.924 ( 3.927 6.802 -11.084) 13.585 2.924 ( 3.927 6.802 11.084) 13.585 3.006 ( 5.869 10.166 -11.909) 16.722 3.006 ( 5.869 10.166 11.909) 16.722 3.341 ( 8.611 14.915 -11.746) 20.847 3.341 ( 8.611 14.915 11.746) 20.847 3.724 ( 3.402 5.893 -4.222) 8.007 3.724 ( 3.402 5.893 4.222) 8.007 4.156 ( 3.648 6.318 -5.363) 9.054 4.156 ( 3.648 6.318 5.363) 9.054 4.410 ( 3.430 5.941 -0.741) 6.901 4.410 ( 3.430 5.941 0.741) 6.901 5.213 ( -2.455 -4.252 -6.120) 7.846 5.213 ( -2.455 -4.252 6.120) 7.846 9.641 ( -6.854 -11.871 -3.248) 14.087 9.641 ( -6.854 -11.871 3.248) 14.087 10.845 ( -4.631 -8.021 -0.295) 9.266 10.845 ( -4.631 -8.021 0.295) 9.266 11.274 ( -6.395 -11.076 -12.226) 17.693 11.274 ( -6.395 -11.076 12.226) 17.693 12.328 ( 3.238 5.608 -6.067) 8.873 12.328 ( 3.238 5.608 6.067) 8.873 14.183 ( 1.371 2.375 -5.720) 6.344 14.183 ( 1.371 2.375 5.720) 6.344 14.558 ( -0.656 -1.136 -14.017) 14.079 14.558 ( -0.656 -1.136 14.017) 14.079======================= Grid point 550 (71/81) =======================q-point: ( 0.20 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.118 ( 8.181 15.487 -3.745) 17.911 2.118 ( 8.181 15.487 3.745) 17.911 2.260 ( 11.041 15.162 -4.569) 19.304 2.260 ( 11.041 15.162 4.569) 19.304 3.065 ( 3.579 7.604 -6.843) 10.838 3.065 ( 3.579 7.604 6.843) 10.838 3.163 ( 4.592 5.323 -10.567) 12.692 3.163 ( 4.592 5.323 10.567) 12.692 3.630 ( 8.429 8.129 -7.291) 13.794 3.630 ( 8.429 8.129 7.291) 13.794 3.880 ( 6.134 10.085 -2.373) 12.040 3.880 ( 6.134 10.085 2.373) 12.040 4.221 ( -0.972 2.775 -4.366) 5.264 4.221 ( -0.972 2.775 4.366) 5.264 4.598 ( 8.225 8.686 -4.078) 12.639 4.598 ( 8.225 8.686 4.078) 12.639 5.163 ( 0.689 -2.124 -6.056) 6.454 5.163 ( 0.689 -2.124 6.056) 6.454 9.370 ( -10.126 -11.848 -3.955) 16.080 9.370 ( -10.126 -11.848 3.955) 16.080 10.642 ( -8.061 -6.672 -0.346) 10.470 10.642 ( -8.061 -6.672 0.346) 10.470 11.108 ( -1.081 -11.593 -12.054) 16.759 11.108 ( -1.081 -11.593 12.054) 16.759 12.430 ( 1.454 7.090 -5.333) 8.990 12.430 ( 1.454 7.090 5.333) 8.990 14.207 ( -1.760 3.679 -7.645) 8.665 14.207 ( -1.760 3.679 7.645) 8.665 14.585 ( 4.137 -1.602 -6.795) 8.115 14.585 ( 4.137 -1.602 6.795) 8.115======================= Grid point 552 (72/81) =======================q-point: ( 0.27 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.391 ( 5.608 14.209 -2.313) 15.450 2.391 ( 5.608 14.209 2.313) 15.450 2.579 ( 8.979 12.400 -4.819) 16.050 2.579 ( 8.979 12.400 4.819) 16.050 3.200 ( 3.015 7.944 -7.067) 11.051 3.200 ( 3.015 7.944 7.067) 11.051 3.295 ( 4.479 5.241 -8.182) 10.699 3.295 ( 4.479 5.241 8.182) 10.699 3.779 ( 3.657 2.657 -2.123) 4.995 3.779 ( 3.657 2.657 2.123) 4.995 4.113 ( 7.667 7.006 -4.115) 11.171 4.113 ( 7.667 7.006 4.115) 11.171 4.203 ( -3.675 4.548 -2.490) 6.355 4.203 ( -3.675 4.548 2.490) 6.355 4.825 ( 8.006 6.602 -4.650) 11.371 4.825 ( 8.006 6.602 4.650) 11.371 5.198 ( 5.370 -1.566 -6.153) 8.316 5.198 ( 5.370 -1.566 6.153) 8.316 9.065 ( -11.203 -10.646 -3.108) 15.764 9.065 ( -11.203 -10.646 3.108) 15.764 10.476 ( -4.623 -3.507 -2.549) 6.338 10.476 ( -4.623 -3.507 2.549) 6.338 10.966 ( -1.887 -12.104 -9.286) 15.371 10.966 ( -1.887 -12.104 9.286) 15.371 12.528 ( 0.862 8.348 -3.347) 9.035 12.528 ( 0.862 8.348 3.347) 9.035 14.204 ( -2.989 4.235 -7.813) 9.376 14.204 ( -2.989 4.235 7.813) 9.376 14.644 ( 5.482 -4.020 -5.030) 8.457 14.644 ( 5.482 -4.020 5.030) 8.457======================= Grid point 554 (73/81) =======================q-point: ( 0.33 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.591 ( 2.081 11.920 -1.138) 12.154 2.591 ( 2.081 11.920 1.138) 12.154 2.809 ( 4.697 9.190 -2.768) 10.685 2.809 ( 4.697 9.190 2.768) 10.685 3.329 ( 1.736 8.949 -5.023) 10.408 3.329 ( 1.736 8.949 5.023) 10.408 3.418 ( 3.864 4.437 -4.429) 7.364 3.418 ( 3.864 4.437 4.429) 7.364 3.834 ( 0.639 0.835 -1.020) 1.465 3.834 ( 0.639 0.835 1.020) 1.465 4.131 ( -5.470 4.524 -1.497) 7.254 4.131 ( -5.470 4.524 1.497) 7.254 4.322 ( 6.040 3.535 -3.374) 7.770 4.322 ( 6.040 3.535 3.374) 7.770 4.988 ( 5.064 2.711 -3.933) 6.961 4.988 ( 5.064 2.711 3.933) 6.961 5.304 ( 8.092 -2.252 -7.642) 11.355 5.304 ( 8.092 -2.252 7.642) 11.355 8.790 ( -8.757 -7.999 -1.082) 11.910 8.790 ( -8.757 -7.999 1.082) 11.910 10.415 ( 0.052 -0.822 -3.013) 3.124 10.415 ( 0.052 -0.822 3.013) 3.124 10.800 ( -3.095 -11.681 -5.714) 13.367 10.800 ( -3.095 -11.681 5.714) 13.367 12.622 ( -0.400 8.964 -1.346) 9.073 12.622 ( -0.400 8.964 1.346) 9.073 14.191 ( -2.847 3.466 -7.340) 8.602 14.191 ( -2.847 3.466 7.340) 8.602 14.689 ( 5.128 -5.457 -2.742) 7.974 14.689 ( 5.128 -5.457 2.742) 7.974======================= Grid point 556 (74/81) =======================q-point: ( 0.40 0.13 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.698 ( -2.191 9.200 -1.326) 9.549 2.698 ( -2.191 9.200 1.326) 9.549 2.924 ( -0.167 5.909 -1.252) 6.042 2.924 ( -0.167 5.909 1.252) 6.042 3.419 ( -2.232 8.724 -4.364) 10.007 3.419 ( -2.232 8.724 4.364) 10.007 3.511 ( 2.371 1.990 -3.728) 4.846 3.511 ( 2.371 1.990 3.728) 4.846 3.827 ( -1.764 1.074 -0.821) 2.223 3.827 ( -1.764 1.074 0.821) 2.223 4.096 ( -4.386 5.997 -0.710) 7.463 4.096 ( -4.386 5.997 0.710) 7.463 4.416 ( 3.025 -0.641 -0.960) 3.238 4.416 ( 3.025 -0.641 0.960) 3.238 5.062 ( 2.402 -0.645 -3.804) 4.545 5.062 ( 2.402 -0.645 3.804) 4.545 5.399 ( 5.786 -4.572 -8.118) 10.968 5.399 ( 5.786 -4.572 8.118) 10.968 8.624 ( -2.787 -3.977 -0.752) 4.914 8.624 ( -2.787 -3.977 0.752) 4.914 10.447 ( 2.391 1.173 -1.199) 2.921 10.447 ( 2.391 1.173 1.199) 2.921 10.645 ( -0.724 -10.377 -1.897) 10.574 10.645 ( -0.724 -10.377 1.897) 10.574 12.683 ( -2.975 8.461 -0.174) 8.970 12.683 ( -2.975 8.461 0.174) 8.970 14.179 ( -2.023 2.771 -6.826) 7.639 14.179 ( -2.023 2.771 6.826) 7.639 14.712 ( 4.229 -6.174 -0.939) 7.542 14.712 ( 4.229 -6.174 0.940) 7.542======================= Grid point 580 (75/81) =======================q-point: ( 0.20 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.413 ( 7.624 13.206 -3.027) 15.546 2.413 ( 7.624 13.206 3.027) 15.546 2.568 ( 8.663 15.004 -5.827) 18.279 2.568 ( 8.663 15.004 5.827) 18.279 3.215 ( 4.168 7.219 -5.361) 9.911 3.215 ( 4.168 7.219 5.361) 9.911 3.282 ( 3.837 6.646 -6.068) 9.783 3.282 ( 3.837 6.646 6.068) 9.783 3.757 ( 2.743 4.751 -1.063) 5.588 3.757 ( 2.743 4.751 1.063) 5.588 4.080 ( 5.149 8.918 -4.368) 11.185 4.080 ( 5.149 8.918 4.368) 11.186 4.268 ( 1.106 1.915 -2.775) 3.548 4.268 ( 1.106 1.915 2.775) 3.548 4.785 ( 5.411 9.371 -5.829) 12.291 4.785 ( 5.411 9.371 5.829) 12.291 5.137 ( -0.204 -0.353 -4.348) 4.367 5.137 ( -0.204 -0.353 4.348) 4.367 9.112 ( -7.759 -13.438 -4.653) 16.200 9.112 ( -7.759 -13.438 4.653) 16.200 10.505 ( -3.675 -6.366 -2.332) 7.711 10.505 ( -3.675 -6.366 2.332) 7.711 10.910 ( -4.908 -8.500 -7.419) 12.304 10.910 ( -4.908 -8.500 7.419) 12.304 12.567 ( 3.814 6.606 -4.696) 8.957 12.567 ( 3.814 6.606 4.696) 8.957 14.272 ( 1.395 2.416 -1.659) 3.245 14.272 ( 1.395 2.416 1.659) 3.245 14.553 ( -0.743 -1.286 -2.212) 2.664 14.553 ( -0.743 -1.286 2.212) 2.664======================= Grid point 582 (76/81) =======================q-point: ( 0.27 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.638 ( 4.778 9.836 -5.969) 12.458 2.638 ( 4.778 9.836 5.969) 12.458 2.843 ( 5.727 13.392 -1.516) 14.644 2.843 ( 5.727 13.392 1.516) 14.644 3.362 ( 4.044 7.710 -3.960) 9.564 3.362 ( 4.044 7.710 3.960) 9.564 3.417 ( 3.300 6.963 -8.993) 11.843 3.417 ( 3.300 6.963 8.993) 11.843 3.830 ( 1.648 2.485 -1.197) 3.213 3.830 ( 1.648 2.485 1.197) 3.213 4.211 ( 1.716 3.737 -0.784) 4.186 4.211 ( 1.716 3.737 0.784) 4.186 4.307 ( 0.372 4.393 -1.470) 4.647 4.307 ( 0.372 4.393 1.470) 4.647 4.948 ( 3.912 5.334 -5.500) 8.602 4.948 ( 3.912 5.334 5.500) 8.602 5.159 ( 4.464 -2.223 -4.032) 6.413 5.159 ( 4.464 -2.223 4.032) 6.413 8.846 ( -8.088 -10.773 -3.956) 14.040 8.846 ( -8.088 -10.773 3.956) 14.040 10.408 ( -1.562 -3.135 -3.874) 5.222 10.408 ( -1.562 -3.135 3.874) 5.222 10.747 ( -3.674 -9.549 -3.826) 10.924 10.747 ( -3.674 -9.549 3.826) 10.924 12.698 ( 2.374 8.407 -3.120) 9.276 12.698 ( 2.374 8.407 3.120) 9.276 14.290 ( -3.126 3.952 -3.535) 6.155 14.290 ( -3.126 3.952 3.535) 6.155 14.544 ( 3.732 -5.491 -1.912) 6.909 14.544 ( 3.732 -5.491 1.912) 6.909======================= Grid point 584 (77/81) =======================q-point: ( 0.33 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.777 ( 1.707 6.328 -6.900) 9.517 2.777 ( 1.707 6.328 6.900) 9.517 3.020 ( 0.353 11.018 -2.672) 11.343 3.020 ( 0.353 11.018 2.672) 11.343 3.485 ( 2.696 3.278 -4.814) 6.418 3.485 ( 2.696 3.278 4.814) 6.418 3.539 ( 0.689 10.368 -2.574) 10.705 3.539 ( 0.689 10.368 2.574) 10.705 3.869 ( -0.237 2.850 -2.382) 3.722 3.869 ( -0.237 2.850 2.382) 3.722 4.222 ( -3.244 3.480 -1.974) 5.151 4.222 ( -3.244 3.480 1.974) 5.151 4.367 ( 2.065 1.652 -2.479) 3.625 4.367 ( 2.065 1.652 2.479) 3.625 5.021 ( 1.614 0.607 -4.071) 4.421 5.021 ( 1.614 0.607 4.071) 4.421 5.234 ( 6.909 -4.498 -5.201) 9.748 5.234 ( 6.909 -4.498 5.201) 9.748 8.638 ( -4.863 -6.827 -2.381) 8.713 8.638 ( -4.863 -6.827 2.381) 8.713 10.393 ( 2.607 -1.771 -3.693) 4.855 10.393 ( 2.607 -1.771 3.693) 4.855 10.591 ( -3.600 -8.389 -0.834) 9.167 10.591 ( -3.600 -8.389 0.834) 9.167 12.807 ( -0.392 9.034 -1.728) 9.207 12.807 ( -0.392 9.034 1.728) 9.207 14.259 ( -3.763 2.964 -2.797) 5.546 14.259 ( -3.763 2.964 2.797) 5.546 14.563 ( 4.964 -6.544 -0.768) 8.249 14.563 ( 4.964 -6.544 0.768) 8.249======================= Grid point 586 (78/81) =======================q-point: ( 0.40 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.824 ( -2.022 3.502 -6.027) 7.258 2.824 ( -2.022 3.502 6.027) 7.258 3.078 ( -4.802 8.318 -3.144) 10.106 3.078 ( -4.802 8.318 3.144) 10.106 3.523 ( -0.079 0.137 -2.857) 2.862 3.523 ( -0.079 0.137 2.857) 2.862 3.607 ( -5.140 8.903 -5.035) 11.447 3.607 ( -5.140 8.903 5.035) 11.447 3.881 ( -2.127 3.685 -2.512) 4.941 3.881 ( -2.127 3.685 2.512) 4.941 4.206 ( -2.231 3.864 -1.947) 4.868 4.206 ( -2.231 3.864 1.947) 4.868 4.395 ( 0.276 -0.477 -2.053) 2.125 4.395 ( 0.276 -0.477 2.053) 2.125 5.036 ( 0.892 -1.546 -3.672) 4.083 5.036 ( 0.892 -1.546 3.672) 4.083 5.276 ( 4.157 -7.201 -5.326) 9.874 5.276 ( 4.157 -7.201 5.326) 9.874 8.559 ( 1.414 -2.449 -1.540) 3.220 8.559 ( 1.414 -2.449 1.540) 3.220 10.447 ( 3.769 -6.529 -0.164) 7.541 10.447 ( 3.769 -6.529 0.164) 7.541 10.475 ( 0.376 -0.652 -0.878) 1.157 10.475 ( 0.376 -0.652 0.878) 1.157 12.852 ( -4.429 7.672 -1.179) 8.937 12.852 ( -4.429 7.672 1.179) 8.937 14.238 ( -1.747 3.027 -1.989) 4.021 14.238 ( -1.747 3.027 1.989) 4.021 14.575 ( 4.045 -7.005 -2.050) 8.345 14.575 ( 4.045 -7.005 2.050) 8.345======================= Grid point 614 (79/81) =======================q-point: ( 0.27 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 184Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.791 ( 3.174 5.497 -7.730) 10.003 2.791 ( 3.174 5.497 7.730) 10.003 3.080 ( 5.388 9.332 -4.188) 11.561 3.080 ( 5.388 9.332 4.188) 11.561 3.477 ( 2.058 3.565 -6.418) 7.625 3.477 ( 2.058 3.565 6.418) 7.625 3.592 ( 5.714 9.897 -0.888) 11.462 3.592 ( 5.714 9.897 0.888) 11.462 3.884 ( 1.640 2.840 -3.175) 4.564 3.884 ( 1.640 2.840 3.175) 4.564 4.257 ( 0.097 0.167 -1.224) 1.239 4.257 ( 0.097 0.167 1.224) 1.239 4.376 ( 1.687 2.921 -2.003) 3.923 4.376 ( 1.687 2.921 2.003) 3.923 5.023 ( 0.847 1.467 -5.325) 5.588 5.023 ( 0.847 1.467 5.325) 5.588 5.125 ( -0.230 -0.398 -2.269) 2.315 5.125 ( -0.230 -0.398 2.269) 2.315 8.648 ( -4.868 -8.432 -3.658) 10.401 8.648 ( -4.868 -8.432 3.658) 10.401 10.356 ( -1.084 -1.877 -4.300) 4.816 10.356 ( -1.084 -1.877 4.300) 4.816 10.582 ( -3.868 -6.699 -0.141) 7.737 10.582 ( -3.868 -6.699 0.141) 7.737 12.859 ( 4.155 7.196 -2.535) 8.687 12.859 ( 4.155 7.196 2.535) 8.688 14.339 ( -0.102 -0.178 -0.887) 0.910 14.339 ( -0.102 -0.178 0.887) 0.910 14.452 ( -1.322 -2.290 -1.569) 3.075 14.452 ( -1.322 -2.290 1.569) 3.075======================= Grid point 616 (80/81) =======================q-point: ( 0.33 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.864 ( 0.554 2.689 -5.006) 5.709 2.864 ( 0.554 2.689 5.006) 5.709 3.206 ( -0.228 6.617 -3.666) 7.568 3.206 ( -0.228 6.617 3.666) 7.568 3.518 ( 0.646 0.495 -6.857) 6.905 3.518 ( 0.646 0.495 6.857) 6.905 3.764 ( 0.072 10.937 -3.695) 11.544 3.764 ( 0.072 10.937 3.695) 11.544 3.937 ( 0.494 3.071 -4.199) 5.225 3.937 ( 0.494 3.071 4.199) 5.225 4.225 ( -0.816 -2.925 -3.286) 4.474 4.225 ( -0.816 -2.925 3.286) 4.474 4.424 ( -0.399 3.565 -4.012) 5.382 4.424 ( -0.399 3.565 4.012) 5.382 5.019 ( -0.505 -0.543 -3.207) 3.291 5.019 ( -0.505 -0.543 3.207) 3.291 5.139 ( 3.440 -4.412 -2.588) 6.164 5.139 ( 3.440 -4.412 2.588) 6.164 8.526 ( -1.413 -4.046 -2.866) 5.155 8.526 ( -1.413 -4.046 2.866) 5.155 10.335 ( 1.591 -3.432 -2.467) 4.516 10.335 ( 1.591 -3.432 2.467) 4.516 10.484 ( -1.774 -2.420 -0.822) 3.112 10.484 ( -1.774 -2.420 0.822) 3.112 12.968 ( -0.118 6.275 -2.300) 6.685 12.968 ( -0.118 6.275 2.300) 6.685 14.297 ( -2.600 0.581 -1.791) 3.210 14.297 ( -2.600 0.581 1.791) 3.210 14.452 ( 2.927 -3.765 -3.933) 6.182 14.452 ( 2.927 -3.765 3.933) 6.182======================= Grid point 646 (81/81) =======================q-point: ( 0.33 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 2.84e-04 2.84e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 73Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.891 ( -0.000 -0.000 0.000) 0.000 2.891 ( -0.000 -0.000 0.000) 0.000 3.274 ( -0.000 -0.000 0.000) 0.000 3.274 ( -0.000 -0.000 0.000) 0.000 3.520 ( -0.000 -0.000 -8.551) 8.551 3.520 ( -0.000 -0.000 8.551) 8.551 3.919 ( -0.000 -0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 -3.843) 3.843 3.954 ( -0.000 -0.000 3.843) 3.843 4.172 ( -0.000 -0.000 -0.000) 0.000 4.172 ( -0.000 -0.000 0.000) 0.000 4.467 ( -0.000 -0.000 -4.577) 4.577 4.467 ( -0.000 -0.000 4.577) 4.577 5.011 ( -0.000 -0.000 0.000) 0.000 5.011 ( -0.000 -0.000 0.000) 0.000 5.087 ( -0.000 -0.000 0.000) 0.000 5.087 ( -0.000 -0.000 0.000) 0.000 8.484 ( -0.000 -0.000 -2.873) 2.873 8.484 ( -0.000 -0.000 2.873) 2.873 10.294 ( -0.000 -0.000 0.000) 0.000 10.294 ( -0.000 -0.000 0.000) 0.000 10.464 ( -0.000 -0.000 0.000) 0.000 10.464 ( -0.000 -0.000 0.000) 0.000 13.035 ( -0.000 -0.000 -2.724) 2.724 13.035 ( -0.000 -0.000 2.724) 2.724 14.294 ( -0.000 -0.000 -0.000) 0.000 14.294 ( -0.000 -0.000 0.000) 0.000 14.419 ( -0.000 -0.000 -0.000) 0.000 14.419 ( -0.000 -0.000 0.000) 0.000=================== 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 3/27000 10.0 2256.231 2256.231 2225.371 0.000 -0.000 -0.000 3/27000 20.0 754.232 754.232 677.300 -0.000 -0.000 -0.000 3/27000 30.0 274.301 274.301 208.645 -0.000 -0.000 -0.000 3/27000 40.0 151.867 151.867 110.461 -0.000 -0.000 -0.000 3/27000 50.0 106.308 106.308 77.171 -0.000 -0.000 -0.000 3/27000 60.0 83.246 83.246 60.952 -0.000 -0.000 -0.000 3/27000 70.0 68.938 68.938 50.981 -0.000 -0.000 -0.000 3/27000 80.0 58.866 58.866 43.926 -0.000 -0.000 -0.000 3/27000 90.0 51.230 51.230 38.523 -0.000 -0.000 -0.000 3/27000 100.0 45.190 45.190 34.201 -0.000 -0.000 -0.000 3/27000 110.0 40.289 40.289 30.660 -0.000 -0.000 -0.000 3/27000 120.0 36.248 36.248 27.717 -0.000 -0.000 -0.000 3/27000 130.0 32.874 32.874 25.245 -0.000 -0.000 -0.000 3/27000 140.0 30.030 30.030 23.148 -0.000 -0.000 -0.000 3/27000 150.0 27.609 27.609 21.355 -0.000 -0.000 -0.000 3/27000 160.0 25.531 25.531 19.809 -0.000 -0.000 -0.000 3/27000 170.0 23.733 23.733 18.466 -0.000 -0.000 -0.000 3/27000 180.0 22.166 22.166 17.291 -0.000 -0.000 -0.000 3/27000 190.0 20.789 20.789 16.255 -0.000 -0.000 -0.000 3/27000 200.0 19.572 19.572 15.337 -0.000 -0.000 -0.000 3/27000 210.0 18.490 18.490 14.517 -0.000 -0.000 -0.000 3/27000 220.0 17.522 17.522 13.782 -0.000 -0.000 -0.000 3/27000 230.0 16.651 16.651 13.118 -0.000 -0.000 -0.000 3/27000 240.0 15.864 15.864 12.517 -0.000 -0.000 -0.000 3/27000 250.0 15.149 15.149 11.969 -0.000 -0.000 -0.000 3/27000 260.0 14.497 14.497 11.469 -0.000 -0.000 -0.000 3/27000 270.0 13.900 13.900 11.009 -0.000 -0.000 -0.000 3/27000 280.0 13.352 13.352 10.586 -0.000 -0.000 -0.000 3/27000 290.0 12.846 12.846 10.195 -0.000 -0.000 -0.000 3/27000 300.0 12.378 12.378 9.833 -0.000 -0.000 -0.000 3/27000 310.0 11.944 11.944 9.496 -0.000 -0.000 -0.000 3/27000 320.0 11.540 11.540 9.182 -0.000 -0.000 -0.000 3/27000 330.0 11.164 11.164 8.889 -0.000 -0.000 -0.000 3/27000 340.0 10.811 10.811 8.614 -0.000 -0.000 -0.000 3/27000 350.0 10.481 10.481 8.356 -0.000 -0.000 -0.000 3/27000 360.0 10.171 10.171 8.114 -0.000 -0.000 -0.000 3/27000 370.0 9.880 9.880 7.885 -0.000 -0.000 -0.000 3/27000 380.0 9.605 9.605 7.669 -0.000 -0.000 -0.000 3/27000 390.0 9.345 9.345 7.466 -0.000 -0.000 -0.000 3/27000 400.0 9.099 9.099 7.272 -0.000 -0.000 -0.000 3/27000 410.0 8.867 8.867 7.089 -0.000 -0.000 -0.000 3/27000 420.0 8.646 8.646 6.915 -0.000 -0.000 -0.000 3/27000 430.0 8.436 8.436 6.750 -0.000 -0.000 -0.000 3/27000 440.0 8.236 8.236 6.592 -0.000 -0.000 -0.000 3/27000 450.0 8.046 8.046 6.442 -0.000 -0.000 -0.000 3/27000 460.0 7.865 7.865 6.299 -0.000 -0.000 -0.000 3/27000 470.0 7.691 7.691 6.162 -0.000 -0.000 -0.000 3/27000 480.0 7.526 7.526 6.031 -0.000 -0.000 -0.000 3/27000 490.0 7.367 7.367 5.905 -0.000 -0.000 -0.000 3/27000 500.0 7.216 7.216 5.785 -0.000 -0.000 -0.000 3/27000 510.0 7.070 7.070 5.670 -0.000 -0.000 -0.000 3/27000 520.0 6.930 6.930 5.559 -0.000 -0.000 -0.000 3/27000 530.0 6.796 6.796 5.452 -0.000 -0.000 -0.000 3/27000 540.0 6.667 6.667 5.350 -0.000 -0.000 -0.000 3/27000 550.0 6.543 6.543 5.251 -0.000 -0.000 -0.000 3/27000 560.0 6.424 6.424 5.156 -0.000 -0.000 -0.000 3/27000 570.0 6.309 6.309 5.065 -0.000 -0.000 -0.000 3/27000 580.0 6.198 6.198 4.976 -0.000 -0.000 -0.000 3/27000 590.0 6.091 6.091 4.891 -0.000 -0.000 -0.000 3/27000 600.0 5.987 5.987 4.809 -0.000 -0.000 -0.000 3/27000 610.0 5.888 5.888 4.729 -0.000 -0.000 -0.000 3/27000 620.0 5.791 5.791 4.652 -0.000 -0.000 -0.000 3/27000 630.0 5.698 5.698 4.578 -0.000 -0.000 -0.000 3/27000 640.0 5.607 5.607 4.506 -0.000 -0.000 -0.000 3/27000 650.0 5.520 5.520 4.436 -0.000 -0.000 -0.000 3/27000 660.0 5.435 5.435 4.368 -0.000 -0.000 -0.000 3/27000 670.0 5.353 5.353 4.303 -0.000 -0.000 -0.000 3/27000 680.0 5.273 5.273 4.239 -0.000 -0.000 -0.000 3/27000 690.0 5.196 5.196 4.177 -0.000 -0.000 -0.000 3/27000 700.0 5.121 5.121 4.117 -0.000 -0.000 -0.000 3/27000 710.0 5.048 5.048 4.059 -0.000 -0.000 -0.000 3/27000 720.0 4.977 4.977 4.002 -0.000 -0.000 -0.000 3/27000 730.0 4.908 4.908 3.947 -0.000 -0.000 -0.000 3/27000 740.0 4.841 4.841 3.894 -0.000 -0.000 -0.000 3/27000 750.0 4.776 4.776 3.842 -0.000 -0.000 -0.000 3/27000 760.0 4.713 4.713 3.791 -0.000 -0.000 -0.000 3/27000 770.0 4.651 4.651 3.742 -0.000 -0.000 -0.000 3/27000 780.0 4.591 4.591 3.693 -0.000 -0.000 -0.000 3/27000 790.0 4.533 4.533 3.647 -0.000 -0.000 -0.000 3/27000 800.0 4.476 4.476 3.601 -0.000 -0.000 -0.000 3/27000 810.0 4.420 4.420 3.556 -0.000 -0.000 -0.000 3/27000 820.0 4.366 4.366 3.513 -0.000 -0.000 -0.000 3/27000 830.0 4.313 4.313 3.471 -0.000 -0.000 -0.000 3/27000 840.0 4.261 4.261 3.429 -0.000 -0.000 -0.000 3/27000 850.0 4.211 4.211 3.389 -0.000 -0.000 -0.000 3/27000 860.0 4.162 4.162 3.349 -0.000 -0.000 -0.000 3/27000 870.0 4.114 4.114 3.311 -0.000 -0.000 -0.000 3/27000 880.0 4.067 4.067 3.273 -0.000 -0.000 -0.000 3/27000 890.0 4.021 4.021 3.236 -0.000 -0.000 -0.000 3/27000 900.0 3.976 3.976 3.200 -0.000 -0.000 -0.000 3/27000 910.0 3.932 3.932 3.165 -0.000 -0.000 -0.000 3/27000 920.0 3.889 3.889 3.131 -0.000 -0.000 -0.000 3/27000 930.0 3.847 3.847 3.097 -0.000 -0.000 -0.000 3/27000 940.0 3.806 3.806 3.064 -0.000 -0.000 -0.000 3/27000 950.0 3.766 3.766 3.032 -0.000 -0.000 -0.000 3/27000 960.0 3.727 3.727 3.000 -0.000 -0.000 -0.000 3/27000 970.0 3.688 3.688 2.970 -0.000 -0.000 -0.000 3/27000 980.0 3.651 3.651 2.939 -0.000 -0.000 -0.000 3/27000 990.0 3.614 3.614 2.910 -0.000 -0.000 -0.000 3/27000 1000.0 3.577 3.577 2.881 -0.000 -0.000 -0.000 3/27000Thermal conductivity related properties were written into "kappa-m15154.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:27:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|