# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/e407567f-c338-476d-87ae-56073ab3e672/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 Na2MgCl4 / Pbam (55) / materials id 28657](https://mdr.nims.go.jp/datasets/8240424f-6ad2-4a22-afb7-1ee51d50421c) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 07:27:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 4] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbam (55)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 6.874736410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.794640080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.790871790000000Atomic positions (fractional): *1 Na 0.08536167744266 0.68078316360303 0.50000000000000 22.990 2 Na 0.91463832255734 0.31921683639697 0.50000000000000 22.990 3 Na 0.41463832255734 0.18078316360303 0.50000000000000 22.990 4 Na 0.58536167744266 0.81921683639697 0.50000000000000 22.990 *5 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 6 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 *7 Cl 0.12135741829584 0.19615843702269 0.00000000000000 35.453 8 Cl 0.87864258170415 0.80384156297731 0.00000000000000 35.453 9 Cl 0.62135741829585 0.30384156297731 0.00000000000000 35.453 10 Cl 0.37864258170415 0.69615843702269 0.00000000000000 35.453 *11 Cl 0.23636355223123 0.95559509586712 0.50000000000000 35.453 12 Cl 0.76363644776877 0.04440490413288 0.50000000000000 35.453 13 Cl 0.73636355223123 0.54440490413288 0.50000000000000 35.453 14 Cl 0.26363644776877 0.45559509586712 0.50000000000000 35.453-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.874736410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.794640080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.790871790000000Atomic positions (fractional): *1 Na 0.08536167744266 0.68078316360303 0.50000000000000 22.990 > 1 2 Na 0.91463832255734 0.31921683639697 0.50000000000000 22.990 > 2 3 Na 0.41463832255734 0.18078316360303 0.50000000000000 22.990 > 3 4 Na 0.58536167744266 0.81921683639697 0.50000000000000 22.990 > 4 *5 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 5 6 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 6 *7 Cl 0.12135741829584 0.19615843702269 0.00000000000000 35.453 > 7 8 Cl 0.87864258170415 0.80384156297731 0.00000000000000 35.453 > 8 9 Cl 0.62135741829585 0.30384156297731 0.00000000000000 35.453 > 9 10 Cl 0.37864258170415 0.69615843702269 0.00000000000000 35.453 > 10 *11 Cl 0.23636355223123 0.95559509586712 0.50000000000000 35.453 > 11 12 Cl 0.76363644776877 0.04440490413288 0.50000000000000 35.453 > 12 13 Cl 0.73636355223123 0.54440490413288 0.50000000000000 35.453 > 13 14 Cl 0.26363644776877 0.45559509586712 0.50000000000000 35.453 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 13.749472819999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.794640080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.163487160000001Atomic positions (fractional): *1 Na 0.04268083872133 0.68078316360303 0.12500000000000 22.990 > 1 2 Na 0.54268083872133 0.68078316360303 0.12500000000000 22.990 > 1 3 Na 0.04268083872133 0.68078316360303 0.37500000000000 22.990 > 1 4 Na 0.54268083872133 0.68078316360303 0.37500000000000 22.990 > 1 5 Na 0.04268083872133 0.68078316360303 0.62500000000000 22.990 > 1 6 Na 0.54268083872133 0.68078316360303 0.62500000000000 22.990 > 1 7 Na 0.04268083872133 0.68078316360303 0.87500000000000 22.990 > 1 8 Na 0.54268083872133 0.68078316360303 0.87500000000000 22.990 > 1 9 Na 0.45731916127867 0.31921683639697 0.12500000000000 22.990 > 2 10 Na 0.95731916127867 0.31921683639697 0.12500000000000 22.990 > 2 11 Na 0.45731916127867 0.31921683639697 0.37500000000000 22.990 > 2 12 Na 0.95731916127867 0.31921683639697 0.37500000000000 22.990 > 2 13 Na 0.45731916127867 0.31921683639697 0.62500000000000 22.990 > 2 14 Na 0.95731916127867 0.31921683639697 0.62500000000000 22.990 > 2 15 Na 0.45731916127867 0.31921683639697 0.87500000000000 22.990 > 2 16 Na 0.95731916127867 0.31921683639697 0.87500000000000 22.990 > 2 17 Na 0.20731916127867 0.18078316360303 0.12500000000000 22.990 > 3 18 Na 0.70731916127867 0.18078316360303 0.12500000000000 22.990 > 3 19 Na 0.20731916127867 0.18078316360303 0.37500000000000 22.990 > 3 20 Na 0.70731916127867 0.18078316360303 0.37500000000000 22.990 > 3 21 Na 0.20731916127867 0.18078316360303 0.62500000000000 22.990 > 3 22 Na 0.70731916127867 0.18078316360303 0.62500000000000 22.990 > 3 23 Na 0.20731916127867 0.18078316360303 0.87500000000000 22.990 > 3 24 Na 0.70731916127867 0.18078316360303 0.87500000000000 22.990 > 3 25 Na 0.29268083872133 0.81921683639697 0.12500000000000 22.990 > 4 26 Na 0.79268083872133 0.81921683639697 0.12500000000000 22.990 > 4 27 Na 0.29268083872133 0.81921683639697 0.37500000000000 22.990 > 4 28 Na 0.79268083872133 0.81921683639697 0.37500000000000 22.990 > 4 29 Na 0.29268083872133 0.81921683639697 0.62500000000000 22.990 > 4 30 Na 0.79268083872133 0.81921683639697 0.62500000000000 22.990 > 4 31 Na 0.29268083872133 0.81921683639697 0.87500000000000 22.990 > 4 32 Na 0.79268083872133 0.81921683639697 0.87500000000000 22.990 > 4 *33 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 5 34 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 5 35 Mg 0.25000000000000 0.50000000000000 0.25000000000000 24.305 > 5 36 Mg 0.75000000000000 0.50000000000000 0.25000000000000 24.305 > 5 37 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 5 38 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 5 39 Mg 0.25000000000000 0.50000000000000 0.75000000000000 24.305 > 5 40 Mg 0.75000000000000 0.50000000000000 0.75000000000000 24.305 > 5 41 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 6 42 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 6 43 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 6 44 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 6 45 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 6 46 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 6 47 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 6 48 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 6 *49 Cl 0.06067870914792 0.19615843702269 0.00000000000000 35.453 > 7 50 Cl 0.56067870914792 0.19615843702269 0.00000000000000 35.453 > 7 51 Cl 0.06067870914792 0.19615843702269 0.25000000000000 35.453 > 7 52 Cl 0.56067870914792 0.19615843702269 0.25000000000000 35.453 > 7 53 Cl 0.06067870914792 0.19615843702269 0.50000000000000 35.453 > 7 54 Cl 0.56067870914792 0.19615843702269 0.50000000000000 35.453 > 7 55 Cl 0.06067870914792 0.19615843702269 0.75000000000000 35.453 > 7 56 Cl 0.56067870914792 0.19615843702269 0.75000000000000 35.453 > 7 57 Cl 0.43932129085208 0.80384156297731 0.00000000000000 35.453 > 8 58 Cl 0.93932129085208 0.80384156297731 0.00000000000000 35.453 > 8 59 Cl 0.43932129085208 0.80384156297731 0.25000000000000 35.453 > 8 60 Cl 0.93932129085208 0.80384156297731 0.25000000000000 35.453 > 8 61 Cl 0.43932129085208 0.80384156297731 0.50000000000000 35.453 > 8 62 Cl 0.93932129085208 0.80384156297731 0.50000000000000 35.453 > 8 63 Cl 0.43932129085208 0.80384156297731 0.75000000000000 35.453 > 8 64 Cl 0.93932129085208 0.80384156297731 0.75000000000000 35.453 > 8 65 Cl 0.31067870914792 0.30384156297731 0.00000000000000 35.453 > 9 66 Cl 0.81067870914792 0.30384156297731 0.00000000000000 35.453 > 9 67 Cl 0.31067870914792 0.30384156297731 0.25000000000000 35.453 > 9 68 Cl 0.81067870914792 0.30384156297731 0.25000000000000 35.453 > 9 69 Cl 0.31067870914792 0.30384156297731 0.50000000000000 35.453 > 9 70 Cl 0.81067870914792 0.30384156297731 0.50000000000000 35.453 > 9 71 Cl 0.31067870914792 0.30384156297731 0.75000000000000 35.453 > 9 72 Cl 0.81067870914792 0.30384156297731 0.75000000000000 35.453 > 9 73 Cl 0.18932129085208 0.69615843702269 0.00000000000000 35.453 > 10 74 Cl 0.68932129085208 0.69615843702269 0.00000000000000 35.453 > 10 75 Cl 0.18932129085208 0.69615843702269 0.25000000000000 35.453 > 10 76 Cl 0.68932129085208 0.69615843702269 0.25000000000000 35.453 > 10 77 Cl 0.18932129085208 0.69615843702269 0.50000000000000 35.453 > 10 78 Cl 0.68932129085208 0.69615843702269 0.50000000000000 35.453 > 10 79 Cl 0.18932129085208 0.69615843702269 0.75000000000000 35.453 > 10 80 Cl 0.68932129085208 0.69615843702269 0.75000000000000 35.453 > 10 *81 Cl 0.11818177611561 0.95559509586712 0.12500000000000 35.453 > 11 82 Cl 0.61818177611561 0.95559509586712 0.12500000000000 35.453 > 11 83 Cl 0.11818177611561 0.95559509586712 0.37500000000000 35.453 > 11 84 Cl 0.61818177611561 0.95559509586712 0.37500000000000 35.453 > 11 85 Cl 0.11818177611561 0.95559509586712 0.62500000000000 35.453 > 11 86 Cl 0.61818177611561 0.95559509586712 0.62500000000000 35.453 > 11 87 Cl 0.11818177611561 0.95559509586712 0.87500000000000 35.453 > 11 88 Cl 0.61818177611561 0.95559509586712 0.87500000000000 35.453 > 11 89 Cl 0.38181822388439 0.04440490413288 0.12500000000000 35.453 > 12 90 Cl 0.88181822388439 0.04440490413288 0.12500000000000 35.453 > 12 91 Cl 0.38181822388439 0.04440490413288 0.37500000000000 35.453 > 12 92 Cl 0.88181822388439 0.04440490413288 0.37500000000000 35.453 > 12 93 Cl 0.38181822388439 0.04440490413288 0.62500000000000 35.453 > 12 94 Cl 0.88181822388439 0.04440490413288 0.62500000000000 35.453 > 12 95 Cl 0.38181822388439 0.04440490413288 0.87500000000000 35.453 > 12 96 Cl 0.88181822388439 0.04440490413288 0.87500000000000 35.453 > 12 97 Cl 0.36818177611561 0.54440490413288 0.12500000000000 35.453 > 13 98 Cl 0.86818177611561 0.54440490413288 0.12500000000000 35.453 > 13 99 Cl 0.36818177611561 0.54440490413288 0.37500000000000 35.453 > 13 100 Cl 0.86818177611561 0.54440490413288 0.37500000000000 35.453 > 13 101 Cl 0.36818177611561 0.54440490413288 0.62500000000000 35.453 > 13 102 Cl 0.86818177611561 0.54440490413288 0.62500000000000 35.453 > 13 103 Cl 0.36818177611561 0.54440490413288 0.87500000000000 35.453 > 13 104 Cl 0.86818177611561 0.54440490413288 0.87500000000000 35.453 > 13 105 Cl 0.13181822388439 0.45559509586712 0.12500000000000 35.453 > 14 106 Cl 0.63181822388439 0.45559509586712 0.12500000000000 35.453 > 14 107 Cl 0.13181822388439 0.45559509586712 0.37500000000000 35.453 > 14 108 Cl 0.63181822388439 0.45559509586712 0.37500000000000 35.453 > 14 109 Cl 0.13181822388439 0.45559509586712 0.62500000000000 35.453 > 14 110 Cl 0.63181822388439 0.45559509586712 0.62500000000000 35.453 > 14 111 Cl 0.13181822388439 0.45559509586712 0.87500000000000 35.453 > 14 112 Cl 0.63181822388439 0.45559509586712 0.87500000000000 35.453 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.6991007 0.0000000 0.0000000 0.0000000 2.7608272 0.0000000 0.0000000 0.0000000 2.7750440-------------------------- Born effective charges -------------------------- 1 Na 1.2259937 -0.0621553 0.0000000 -0.0991299 1.1486859 0.0000000 0.0000000 0.0000000 1.0623990 2 Na 1.2259937 -0.0621553 0.0000000 -0.0991299 1.1486859 0.0000000 0.0000000 0.0000000 1.0623990 3 Na 1.2259937 0.0621553 0.0000000 0.0991299 1.1486859 0.0000000 0.0000000 0.0000000 1.0623990 4 Na 1.2259937 0.0621553 0.0000000 0.0991299 1.1486859 0.0000000 0.0000000 0.0000000 1.0623990 5 Mg 1.7963869 -0.1054588 0.0000000 -0.0383082 2.0514646 0.0000000 0.0000000 0.0000000 2.3506414 6 Mg 1.7963869 0.1054588 0.0000000 0.0383082 2.0514646 0.0000000 0.0000000 0.0000000 2.3506414 7 Cl -0.9593784 -0.0902738 0.0000000 -0.0784580 -1.2175958 0.0000000 0.0000000 0.0000000 -1.0134607 8 Cl -0.9593784 -0.0902738 0.0000000 -0.0784580 -1.2175958 0.0000000 0.0000000 0.0000000 -1.0134607 9 Cl -0.9593784 0.0902738 0.0000000 0.0784580 -1.2175958 0.0000000 0.0000000 0.0000000 -1.0134607 10 Cl -0.9593784 0.0902738 0.0000000 0.0784580 -1.2175958 0.0000000 0.0000000 0.0000000 -1.0134607 11 Cl -1.1648087 0.1050283 0.0000000 0.1318903 -0.9568223 0.0000000 0.0000000 0.0000000 -1.2242590 12 Cl -1.1648087 0.1050283 0.0000000 0.1318903 -0.9568223 0.0000000 0.0000000 0.0000000 -1.2242590 13 Cl -1.1648087 -0.1050283 0.0000000 -0.1318903 -0.9568223 0.0000000 0.0000000 0.0000000 -1.2242590 14 Cl -1.1648087 -0.1050283 0.0000000 -0.1318903 -0.9568223 0.0000000 0.0000000 0.0000000 -1.2242590----------------------------------------------------------------------------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: 336/336Permutation basis: 7476/7476Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1007Number of blocks in projector: 1007Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 249Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 145Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 145Use standard eigh solver.Tree of FC basis block matrices:- (1007, 987), data: False|-- (145, 145), data: True|-- (145, 145), data: True|-- (156, 152), data: True|-- (156, 152), data: True|-- (156, 152), data: True|-- (249, 241), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 240 - Time: 1.076Solver_block: 200 / 240 - Time: 1.052Solver_block: 240 / 240 - Time: 0.483Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.629--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336Permutation basis: 7476/7476Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1007Number of blocks in projector: 1007Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 249Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 145Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 145Use standard eigh solver.Tree of FC basis block matrices:- (1007, 987), data: False|-- (145, 145), data: True|-- (145, 145), data: True|-- (156, 152), data: True|-- (156, 152), data: True|-- (156, 152), data: True|-- (249, 241), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 07:27:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:27:32]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 4]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbam (55)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.874736410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.794640080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.790871790000000Atomic positions (fractional): 1 Na 0.08536167744266 0.68078316360303 0.50000000000000 22.990 2 Na 0.91463832255734 0.31921683639697 0.50000000000000 22.990 3 Na 0.41463832255734 0.18078316360303 0.50000000000000 22.990 4 Na 0.58536167744266 0.81921683639697 0.50000000000000 22.990 5 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 6 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 7 Cl 0.12135741829584 0.19615843702269 0.00000000000000 35.453 8 Cl 0.87864258170415 0.80384156297731 0.00000000000000 35.453 9 Cl 0.62135741829585 0.30384156297731 0.00000000000000 35.453 10 Cl 0.37864258170415 0.69615843702269 0.00000000000000 35.453 11 Cl 0.23636355223123 0.95559509586712 0.50000000000000 35.453 12 Cl 0.76363644776877 0.04440490413288 0.50000000000000 35.453 13 Cl 0.73636355223123 0.54440490413288 0.50000000000000 35.453 14 Cl 0.26363644776877 0.45559509586712 0.50000000000000 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 13.749472819999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.794640080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.163487160000001Atomic positions (fractional): 1 Na 0.04268083872133 0.68078316360303 0.12500000000000 22.990 > 1 2 Na 0.54268083872133 0.68078316360303 0.12500000000000 22.990 > 1 3 Na 0.04268083872133 0.68078316360303 0.37500000000000 22.990 > 1 4 Na 0.54268083872133 0.68078316360303 0.37500000000000 22.990 > 1 5 Na 0.04268083872133 0.68078316360303 0.62500000000000 22.990 > 1 6 Na 0.54268083872133 0.68078316360303 0.62500000000000 22.990 > 1 7 Na 0.04268083872133 0.68078316360303 0.87500000000000 22.990 > 1 8 Na 0.54268083872133 0.68078316360303 0.87500000000000 22.990 > 1 9 Na 0.45731916127867 0.31921683639697 0.12500000000000 22.990 > 9 10 Na 0.95731916127867 0.31921683639697 0.12500000000000 22.990 > 9 11 Na 0.45731916127867 0.31921683639697 0.37500000000000 22.990 > 9 12 Na 0.95731916127867 0.31921683639697 0.37500000000000 22.990 > 9 13 Na 0.45731916127867 0.31921683639697 0.62500000000000 22.990 > 9 14 Na 0.95731916127867 0.31921683639697 0.62500000000000 22.990 > 9 15 Na 0.45731916127867 0.31921683639697 0.87500000000000 22.990 > 9 16 Na 0.95731916127867 0.31921683639697 0.87500000000000 22.990 > 9 17 Na 0.20731916127867 0.18078316360303 0.12500000000000 22.990 > 17 18 Na 0.70731916127867 0.18078316360303 0.12500000000000 22.990 > 17 19 Na 0.20731916127867 0.18078316360303 0.37500000000000 22.990 > 17 20 Na 0.70731916127867 0.18078316360303 0.37500000000000 22.990 > 17 21 Na 0.20731916127867 0.18078316360303 0.62500000000000 22.990 > 17 22 Na 0.70731916127867 0.18078316360303 0.62500000000000 22.990 > 17 23 Na 0.20731916127867 0.18078316360303 0.87500000000000 22.990 > 17 24 Na 0.70731916127867 0.18078316360303 0.87500000000000 22.990 > 17 25 Na 0.29268083872133 0.81921683639697 0.12500000000000 22.990 > 25 26 Na 0.79268083872133 0.81921683639697 0.12500000000000 22.990 > 25 27 Na 0.29268083872133 0.81921683639697 0.37500000000000 22.990 > 25 28 Na 0.79268083872133 0.81921683639697 0.37500000000000 22.990 > 25 29 Na 0.29268083872133 0.81921683639697 0.62500000000000 22.990 > 25 30 Na 0.79268083872133 0.81921683639697 0.62500000000000 22.990 > 25 31 Na 0.29268083872133 0.81921683639697 0.87500000000000 22.990 > 25 32 Na 0.79268083872133 0.81921683639697 0.87500000000000 22.990 > 25 33 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 33 34 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 33 35 Mg 0.25000000000000 0.50000000000000 0.25000000000000 24.305 > 33 36 Mg 0.75000000000000 0.50000000000000 0.25000000000000 24.305 > 33 37 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 33 38 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 33 39 Mg 0.25000000000000 0.50000000000000 0.75000000000000 24.305 > 33 40 Mg 0.75000000000000 0.50000000000000 0.75000000000000 24.305 > 33 41 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 41 42 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 41 43 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 41 44 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 41 45 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 41 46 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 41 47 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 41 48 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 41 49 Cl 0.06067870914792 0.19615843702269 0.00000000000000 35.453 > 49 50 Cl 0.56067870914792 0.19615843702269 0.00000000000000 35.453 > 49 51 Cl 0.06067870914792 0.19615843702269 0.25000000000000 35.453 > 49 52 Cl 0.56067870914792 0.19615843702269 0.25000000000000 35.453 > 49 53 Cl 0.06067870914792 0.19615843702269 0.50000000000000 35.453 > 49 54 Cl 0.56067870914792 0.19615843702269 0.50000000000000 35.453 > 49 55 Cl 0.06067870914792 0.19615843702269 0.75000000000000 35.453 > 49 56 Cl 0.56067870914792 0.19615843702269 0.75000000000000 35.453 > 49 57 Cl 0.43932129085208 0.80384156297731 0.00000000000000 35.453 > 57 58 Cl 0.93932129085208 0.80384156297731 0.00000000000000 35.453 > 57 59 Cl 0.43932129085208 0.80384156297731 0.25000000000000 35.453 > 57 60 Cl 0.93932129085208 0.80384156297731 0.25000000000000 35.453 > 57 61 Cl 0.43932129085208 0.80384156297731 0.50000000000000 35.453 > 57 62 Cl 0.93932129085208 0.80384156297731 0.50000000000000 35.453 > 57 63 Cl 0.43932129085208 0.80384156297731 0.75000000000000 35.453 > 57 64 Cl 0.93932129085208 0.80384156297731 0.75000000000000 35.453 > 57 65 Cl 0.31067870914792 0.30384156297731 0.00000000000000 35.453 > 65 66 Cl 0.81067870914792 0.30384156297731 0.00000000000000 35.453 > 65 67 Cl 0.31067870914792 0.30384156297731 0.25000000000000 35.453 > 65 68 Cl 0.81067870914792 0.30384156297731 0.25000000000000 35.453 > 65 69 Cl 0.31067870914792 0.30384156297731 0.50000000000000 35.453 > 65 70 Cl 0.81067870914792 0.30384156297731 0.50000000000000 35.453 > 65 71 Cl 0.31067870914792 0.30384156297731 0.75000000000000 35.453 > 65 72 Cl 0.81067870914792 0.30384156297731 0.75000000000000 35.453 > 65 73 Cl 0.18932129085208 0.69615843702269 0.00000000000000 35.453 > 73 74 Cl 0.68932129085208 0.69615843702269 0.00000000000000 35.453 > 73 75 Cl 0.18932129085208 0.69615843702269 0.25000000000000 35.453 > 73 76 Cl 0.68932129085208 0.69615843702269 0.25000000000000 35.453 > 73 77 Cl 0.18932129085208 0.69615843702269 0.50000000000000 35.453 > 73 78 Cl 0.68932129085208 0.69615843702269 0.50000000000000 35.453 > 73 79 Cl 0.18932129085208 0.69615843702269 0.75000000000000 35.453 > 73 80 Cl 0.68932129085208 0.69615843702269 0.75000000000000 35.453 > 73 81 Cl 0.11818177611561 0.95559509586712 0.12500000000000 35.453 > 81 82 Cl 0.61818177611561 0.95559509586712 0.12500000000000 35.453 > 81 83 Cl 0.11818177611561 0.95559509586712 0.37500000000000 35.453 > 81 84 Cl 0.61818177611561 0.95559509586712 0.37500000000000 35.453 > 81 85 Cl 0.11818177611561 0.95559509586712 0.62500000000000 35.453 > 81 86 Cl 0.61818177611561 0.95559509586712 0.62500000000000 35.453 > 81 87 Cl 0.11818177611561 0.95559509586712 0.87500000000000 35.453 > 81 88 Cl 0.61818177611561 0.95559509586712 0.87500000000000 35.453 > 81 89 Cl 0.38181822388439 0.04440490413288 0.12500000000000 35.453 > 89 90 Cl 0.88181822388439 0.04440490413288 0.12500000000000 35.453 > 89 91 Cl 0.38181822388439 0.04440490413288 0.37500000000000 35.453 > 89 92 Cl 0.88181822388439 0.04440490413288 0.37500000000000 35.453 > 89 93 Cl 0.38181822388439 0.04440490413288 0.62500000000000 35.453 > 89 94 Cl 0.88181822388439 0.04440490413288 0.62500000000000 35.453 > 89 95 Cl 0.38181822388439 0.04440490413288 0.87500000000000 35.453 > 89 96 Cl 0.88181822388439 0.04440490413288 0.87500000000000 35.453 > 89 97 Cl 0.36818177611561 0.54440490413288 0.12500000000000 35.453 > 97 98 Cl 0.86818177611561 0.54440490413288 0.12500000000000 35.453 > 97 99 Cl 0.36818177611561 0.54440490413288 0.37500000000000 35.453 > 97 100 Cl 0.86818177611561 0.54440490413288 0.37500000000000 35.453 > 97 101 Cl 0.36818177611561 0.54440490413288 0.62500000000000 35.453 > 97 102 Cl 0.86818177611561 0.54440490413288 0.62500000000000 35.453 > 97 103 Cl 0.36818177611561 0.54440490413288 0.87500000000000 35.453 > 97 104 Cl 0.86818177611561 0.54440490413288 0.87500000000000 35.453 > 97 105 Cl 0.13181822388439 0.45559509586712 0.12500000000000 35.453 > 105 106 Cl 0.63181822388439 0.45559509586712 0.12500000000000 35.453 > 105 107 Cl 0.13181822388439 0.45559509586712 0.37500000000000 35.453 > 105 108 Cl 0.63181822388439 0.45559509586712 0.37500000000000 35.453 > 105 109 Cl 0.13181822388439 0.45559509586712 0.62500000000000 35.453 > 105 110 Cl 0.63181822388439 0.45559509586712 0.62500000000000 35.453 > 105 111 Cl 0.13181822388439 0.45559509586712 0.87500000000000 35.453 > 105 112 Cl 0.63181822388439 0.45559509586712 0.87500000000000 35.453 > 105----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.6991007 0.0000000 0.0000000 0.0000000 2.7608272 0.0000000 0.0000000 0.0000000 2.7750440-------------------------- Born effective charges -------------------------- 1 Na 1.2259937 -0.0621553 0.0000000 -0.0991299 1.1486859 0.0000000 0.0000000 0.0000000 1.0623990 2 Na 1.2259937 -0.0621553 0.0000000 -0.0991299 1.1486859 0.0000000 0.0000000 0.0000000 1.0623990 3 Na 1.2259937 0.0621553 0.0000000 0.0991299 1.1486859 0.0000000 0.0000000 0.0000000 1.0623990 4 Na 1.2259937 0.0621553 0.0000000 0.0991299 1.1486859 0.0000000 0.0000000 0.0000000 1.0623990 5 Mg 1.7963869 -0.1054588 0.0000000 -0.0383082 2.0514646 0.0000000 0.0000000 0.0000000 2.3506414 6 Mg 1.7963869 0.1054588 0.0000000 0.0383082 2.0514646 0.0000000 0.0000000 0.0000000 2.3506414 7 Cl -0.9593784 -0.0902738 0.0000000 -0.0784580 -1.2175958 0.0000000 0.0000000 0.0000000 -1.0134607 8 Cl -0.9593784 -0.0902738 0.0000000 -0.0784580 -1.2175958 0.0000000 0.0000000 0.0000000 -1.0134607 9 Cl -0.9593784 0.0902738 0.0000000 0.0784580 -1.2175958 0.0000000 0.0000000 0.0000000 -1.0134607 10 Cl -0.9593784 0.0902738 0.0000000 0.0784580 -1.2175958 0.0000000 0.0000000 0.0000000 -1.0134607 11 Cl -1.1648087 0.1050283 0.0000000 0.1318903 -0.9568223 0.0000000 0.0000000 0.0000000 -1.2242590 12 Cl -1.1648087 0.1050283 0.0000000 0.1318903 -0.9568223 0.0000000 0.0000000 0.0000000 -1.2242590 13 Cl -1.1648087 -0.1050283 0.0000000 -0.1318903 -0.9568223 0.0000000 0.0000000 0.0000000 -1.2242590 14 Cl -1.1648087 -0.1050283 0.0000000 -0.1318903 -0.9568223 0.0000000 0.0000000 0.0000000 -1.2242590----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (xxz) -0.00000001 (xxz) -0.00000001 (xzx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 07:27:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:27:46]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 4]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbam (55)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.874736410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.794640080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 3.790871790000000Atomic positions (fractional): 1 Na 0.08536167744266 0.68078316360303 0.50000000000000 22.990 2 Na 0.91463832255734 0.31921683639697 0.50000000000000 22.990 3 Na 0.41463832255734 0.18078316360303 0.50000000000000 22.990 4 Na 0.58536167744266 0.81921683639697 0.50000000000000 22.990 5 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 6 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 7 Cl 0.12135741829584 0.19615843702269 0.00000000000000 35.453 8 Cl 0.87864258170415 0.80384156297731 0.00000000000000 35.453 9 Cl 0.62135741829585 0.30384156297731 0.00000000000000 35.453 10 Cl 0.37864258170415 0.69615843702269 0.00000000000000 35.453 11 Cl 0.23636355223123 0.95559509586712 0.50000000000000 35.453 12 Cl 0.76363644776877 0.04440490413288 0.50000000000000 35.453 13 Cl 0.73636355223123 0.54440490413288 0.50000000000000 35.453 14 Cl 0.26363644776877 0.45559509586712 0.50000000000000 35.453-------------------------------- supercell ---------------------------------Lattice vectors: a 13.749472819999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.794640080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 15.163487160000001Atomic positions (fractional): 1 Na 0.04268083872133 0.68078316360303 0.12500000000000 22.990 > 1 2 Na 0.54268083872133 0.68078316360303 0.12500000000000 22.990 > 1 3 Na 0.04268083872133 0.68078316360303 0.37500000000000 22.990 > 1 4 Na 0.54268083872133 0.68078316360303 0.37500000000000 22.990 > 1 5 Na 0.04268083872133 0.68078316360303 0.62500000000000 22.990 > 1 6 Na 0.54268083872133 0.68078316360303 0.62500000000000 22.990 > 1 7 Na 0.04268083872133 0.68078316360303 0.87500000000000 22.990 > 1 8 Na 0.54268083872133 0.68078316360303 0.87500000000000 22.990 > 1 9 Na 0.45731916127867 0.31921683639697 0.12500000000000 22.990 > 9 10 Na 0.95731916127867 0.31921683639697 0.12500000000000 22.990 > 9 11 Na 0.45731916127867 0.31921683639697 0.37500000000000 22.990 > 9 12 Na 0.95731916127867 0.31921683639697 0.37500000000000 22.990 > 9 13 Na 0.45731916127867 0.31921683639697 0.62500000000000 22.990 > 9 14 Na 0.95731916127867 0.31921683639697 0.62500000000000 22.990 > 9 15 Na 0.45731916127867 0.31921683639697 0.87500000000000 22.990 > 9 16 Na 0.95731916127867 0.31921683639697 0.87500000000000 22.990 > 9 17 Na 0.20731916127867 0.18078316360303 0.12500000000000 22.990 > 17 18 Na 0.70731916127867 0.18078316360303 0.12500000000000 22.990 > 17 19 Na 0.20731916127867 0.18078316360303 0.37500000000000 22.990 > 17 20 Na 0.70731916127867 0.18078316360303 0.37500000000000 22.990 > 17 21 Na 0.20731916127867 0.18078316360303 0.62500000000000 22.990 > 17 22 Na 0.70731916127867 0.18078316360303 0.62500000000000 22.990 > 17 23 Na 0.20731916127867 0.18078316360303 0.87500000000000 22.990 > 17 24 Na 0.70731916127867 0.18078316360303 0.87500000000000 22.990 > 17 25 Na 0.29268083872133 0.81921683639697 0.12500000000000 22.990 > 25 26 Na 0.79268083872133 0.81921683639697 0.12500000000000 22.990 > 25 27 Na 0.29268083872133 0.81921683639697 0.37500000000000 22.990 > 25 28 Na 0.79268083872133 0.81921683639697 0.37500000000000 22.990 > 25 29 Na 0.29268083872133 0.81921683639697 0.62500000000000 22.990 > 25 30 Na 0.79268083872133 0.81921683639697 0.62500000000000 22.990 > 25 31 Na 0.29268083872133 0.81921683639697 0.87500000000000 22.990 > 25 32 Na 0.79268083872133 0.81921683639697 0.87500000000000 22.990 > 25 33 Mg 0.25000000000000 0.50000000000000 0.00000000000000 24.305 > 33 34 Mg 0.75000000000000 0.50000000000000 0.00000000000000 24.305 > 33 35 Mg 0.25000000000000 0.50000000000000 0.25000000000000 24.305 > 33 36 Mg 0.75000000000000 0.50000000000000 0.25000000000000 24.305 > 33 37 Mg 0.25000000000000 0.50000000000000 0.50000000000000 24.305 > 33 38 Mg 0.75000000000000 0.50000000000000 0.50000000000000 24.305 > 33 39 Mg 0.25000000000000 0.50000000000000 0.75000000000000 24.305 > 33 40 Mg 0.75000000000000 0.50000000000000 0.75000000000000 24.305 > 33 41 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 41 42 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 41 43 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 41 44 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 41 45 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 41 46 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 41 47 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 41 48 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 41 49 Cl 0.06067870914792 0.19615843702269 0.00000000000000 35.453 > 49 50 Cl 0.56067870914792 0.19615843702269 0.00000000000000 35.453 > 49 51 Cl 0.06067870914792 0.19615843702269 0.25000000000000 35.453 > 49 52 Cl 0.56067870914792 0.19615843702269 0.25000000000000 35.453 > 49 53 Cl 0.06067870914792 0.19615843702269 0.50000000000000 35.453 > 49 54 Cl 0.56067870914792 0.19615843702269 0.50000000000000 35.453 > 49 55 Cl 0.06067870914792 0.19615843702269 0.75000000000000 35.453 > 49 56 Cl 0.56067870914792 0.19615843702269 0.75000000000000 35.453 > 49 57 Cl 0.43932129085208 0.80384156297731 0.00000000000000 35.453 > 57 58 Cl 0.93932129085208 0.80384156297731 0.00000000000000 35.453 > 57 59 Cl 0.43932129085208 0.80384156297731 0.25000000000000 35.453 > 57 60 Cl 0.93932129085208 0.80384156297731 0.25000000000000 35.453 > 57 61 Cl 0.43932129085208 0.80384156297731 0.50000000000000 35.453 > 57 62 Cl 0.93932129085208 0.80384156297731 0.50000000000000 35.453 > 57 63 Cl 0.43932129085208 0.80384156297731 0.75000000000000 35.453 > 57 64 Cl 0.93932129085208 0.80384156297731 0.75000000000000 35.453 > 57 65 Cl 0.31067870914792 0.30384156297731 0.00000000000000 35.453 > 65 66 Cl 0.81067870914792 0.30384156297731 0.00000000000000 35.453 > 65 67 Cl 0.31067870914792 0.30384156297731 0.25000000000000 35.453 > 65 68 Cl 0.81067870914792 0.30384156297731 0.25000000000000 35.453 > 65 69 Cl 0.31067870914792 0.30384156297731 0.50000000000000 35.453 > 65 70 Cl 0.81067870914792 0.30384156297731 0.50000000000000 35.453 > 65 71 Cl 0.31067870914792 0.30384156297731 0.75000000000000 35.453 > 65 72 Cl 0.81067870914792 0.30384156297731 0.75000000000000 35.453 > 65 73 Cl 0.18932129085208 0.69615843702269 0.00000000000000 35.453 > 73 74 Cl 0.68932129085208 0.69615843702269 0.00000000000000 35.453 > 73 75 Cl 0.18932129085208 0.69615843702269 0.25000000000000 35.453 > 73 76 Cl 0.68932129085208 0.69615843702269 0.25000000000000 35.453 > 73 77 Cl 0.18932129085208 0.69615843702269 0.50000000000000 35.453 > 73 78 Cl 0.68932129085208 0.69615843702269 0.50000000000000 35.453 > 73 79 Cl 0.18932129085208 0.69615843702269 0.75000000000000 35.453 > 73 80 Cl 0.68932129085208 0.69615843702269 0.75000000000000 35.453 > 73 81 Cl 0.11818177611561 0.95559509586712 0.12500000000000 35.453 > 81 82 Cl 0.61818177611561 0.95559509586712 0.12500000000000 35.453 > 81 83 Cl 0.11818177611561 0.95559509586712 0.37500000000000 35.453 > 81 84 Cl 0.61818177611561 0.95559509586712 0.37500000000000 35.453 > 81 85 Cl 0.11818177611561 0.95559509586712 0.62500000000000 35.453 > 81 86 Cl 0.61818177611561 0.95559509586712 0.62500000000000 35.453 > 81 87 Cl 0.11818177611561 0.95559509586712 0.87500000000000 35.453 > 81 88 Cl 0.61818177611561 0.95559509586712 0.87500000000000 35.453 > 81 89 Cl 0.38181822388439 0.04440490413288 0.12500000000000 35.453 > 89 90 Cl 0.88181822388439 0.04440490413288 0.12500000000000 35.453 > 89 91 Cl 0.38181822388439 0.04440490413288 0.37500000000000 35.453 > 89 92 Cl 0.88181822388439 0.04440490413288 0.37500000000000 35.453 > 89 93 Cl 0.38181822388439 0.04440490413288 0.62500000000000 35.453 > 89 94 Cl 0.88181822388439 0.04440490413288 0.62500000000000 35.453 > 89 95 Cl 0.38181822388439 0.04440490413288 0.87500000000000 35.453 > 89 96 Cl 0.88181822388439 0.04440490413288 0.87500000000000 35.453 > 89 97 Cl 0.36818177611561 0.54440490413288 0.12500000000000 35.453 > 97 98 Cl 0.86818177611561 0.54440490413288 0.12500000000000 35.453 > 97 99 Cl 0.36818177611561 0.54440490413288 0.37500000000000 35.453 > 97 100 Cl 0.86818177611561 0.54440490413288 0.37500000000000 35.453 > 97 101 Cl 0.36818177611561 0.54440490413288 0.62500000000000 35.453 > 97 102 Cl 0.86818177611561 0.54440490413288 0.62500000000000 35.453 > 97 103 Cl 0.36818177611561 0.54440490413288 0.87500000000000 35.453 > 97 104 Cl 0.86818177611561 0.54440490413288 0.87500000000000 35.453 > 97 105 Cl 0.13181822388439 0.45559509586712 0.12500000000000 35.453 > 105 106 Cl 0.63181822388439 0.45559509586712 0.12500000000000 35.453 > 105 107 Cl 0.13181822388439 0.45559509586712 0.37500000000000 35.453 > 105 108 Cl 0.63181822388439 0.45559509586712 0.37500000000000 35.453 > 105 109 Cl 0.13181822388439 0.45559509586712 0.62500000000000 35.453 > 105 110 Cl 0.63181822388439 0.45559509586712 0.62500000000000 35.453 > 105 111 Cl 0.13181822388439 0.45559509586712 0.87500000000000 35.453 > 105 112 Cl 0.63181822388439 0.45559509586712 0.87500000000000 35.453 > 105----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.6991007 0.0000000 0.0000000 0.0000000 2.7608272 0.0000000 0.0000000 0.0000000 2.7750440-------------------------- Born effective charges -------------------------- 1 Na 1.2259937 -0.0621553 0.0000000 -0.0991299 1.1486859 0.0000000 0.0000000 0.0000000 1.0623990 2 Na 1.2259937 -0.0621553 0.0000000 -0.0991299 1.1486859 0.0000000 0.0000000 0.0000000 1.0623990 3 Na 1.2259937 0.0621553 0.0000000 0.0991299 1.1486859 0.0000000 0.0000000 0.0000000 1.0623990 4 Na 1.2259937 0.0621553 0.0000000 0.0991299 1.1486859 0.0000000 0.0000000 0.0000000 1.0623990 5 Mg 1.7963869 -0.1054588 0.0000000 -0.0383082 2.0514646 0.0000000 0.0000000 0.0000000 2.3506414 6 Mg 1.7963869 0.1054588 0.0000000 0.0383082 2.0514646 0.0000000 0.0000000 0.0000000 2.3506414 7 Cl -0.9593784 -0.0902738 0.0000000 -0.0784580 -1.2175958 0.0000000 0.0000000 0.0000000 -1.0134607 8 Cl -0.9593784 -0.0902738 0.0000000 -0.0784580 -1.2175958 0.0000000 0.0000000 0.0000000 -1.0134607 9 Cl -0.9593784 0.0902738 0.0000000 0.0784580 -1.2175958 0.0000000 0.0000000 0.0000000 -1.0134607 10 Cl -0.9593784 0.0902738 0.0000000 0.0784580 -1.2175958 0.0000000 0.0000000 0.0000000 -1.0134607 11 Cl -1.1648087 0.1050283 0.0000000 0.1318903 -0.9568223 0.0000000 0.0000000 0.0000000 -1.2242590 12 Cl -1.1648087 0.1050283 0.0000000 0.1318903 -0.9568223 0.0000000 0.0000000 0.0000000 -1.2242590 13 Cl -1.1648087 -0.1050283 0.0000000 -0.1318903 -0.9568223 0.0000000 0.0000000 0.0000000 -1.2242590 14 Cl -1.1648087 -0.1050283 0.0000000 -0.1318903 -0.9568223 0.0000000 0.0000000 0.0000000 -1.2242590----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (xxz) -0.00000001 (xxz) -0.00000001 (xzx)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 7 4 13 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 315, Lambda: 0.11Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/84) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 2.016 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.723 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 6.175 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.365 ( 0.000 0.000 0.000) 0.000 6.399 ( 0.000 0.000 0.000) 0.000 6.909 ( 0.000 0.000 0.000) 0.000 7.099 ( 0.000 0.000 0.000) 0.000 8.059 ( 0.000 0.000 0.000) 0.000 8.218 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 10.234 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/84) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.460 ( 21.763 0.000 0.000) 21.763 0.509 ( 24.468 0.000 0.000) 24.468 0.951 ( 43.873 0.000 0.000) 43.873 1.604 ( -6.210 0.000 0.000) 6.210 1.908 ( 3.063 0.000 0.000) 3.063 1.968 ( -4.570 0.000 0.000) 4.570 2.170 ( 6.839 0.000 0.000) 6.839 2.628 ( -3.342 0.000 0.000) 3.342 2.702 ( -6.329 0.000 0.000) 6.329 2.904 ( 3.190 0.000 0.000) 3.190 2.981 ( 0.714 0.000 0.000) 0.714 3.181 ( -14.839 0.000 0.000) 14.839 3.276 ( -8.668 0.000 0.000) 8.668 3.591 ( -7.669 0.000 0.000) 7.669 3.769 ( 1.907 0.000 0.000) 1.907 3.814 ( 3.432 0.000 0.000) 3.432 3.881 ( -14.957 0.000 0.000) 14.957 3.952 ( -9.277 0.000 0.000) 9.277 3.993 ( 1.643 0.000 0.000) 1.643 4.093 ( 14.823 0.000 0.000) 14.823 4.524 ( 15.554 0.000 0.000) 15.554 4.569 ( 15.017 0.000 0.000) 15.017 4.757 ( 0.433 0.000 0.000) 0.433 5.060 ( -4.515 0.000 0.000) 4.515 5.115 ( -15.478 0.000 0.000) 15.478 5.485 ( 3.639 0.000 0.000) 3.639 5.578 ( -3.194 0.000 0.000) 3.194 5.605 ( -3.189 0.000 0.000) 3.189 5.625 ( -3.914 0.000 0.000) 3.914 5.742 ( 1.493 0.000 0.000) 1.493 5.818 ( 8.565 0.000 0.000) 8.565 6.035 ( -15.388 0.000 0.000) 15.388 6.144 ( -2.433 0.000 0.000) 2.433 6.363 ( -0.245 0.000 0.000) 0.245 6.393 ( -0.533 0.000 0.000) 0.533 6.479 ( -4.009 0.000 0.000) 4.009 6.984 ( 6.137 0.000 0.000) 6.137 7.109 ( 1.622 0.000 0.000) 1.622 8.275 ( 17.756 0.000 0.000) 17.756 9.670 ( 3.661 0.000 0.000) 3.661 9.670 ( -3.084 0.000 0.000) 3.084 10.283 ( -4.853 0.000 0.000) 4.853======================= Grid point 2 (3/84) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.896 ( 20.039 0.000 0.000) 20.039 1.014 ( 23.964 0.000 0.000) 23.964 1.459 ( 0.585 0.000 0.000) 0.585 1.828 ( -8.897 0.000 0.000) 8.897 1.869 ( 35.636 0.000 0.000) 35.636 1.871 ( -7.717 0.000 0.000) 7.717 2.355 ( -17.288 0.000 0.000) 17.288 2.371 ( 12.082 0.000 0.000) 12.082 2.657 ( 2.872 0.000 0.000) 2.872 2.844 ( -11.081 0.000 0.000) 11.081 3.015 ( 2.920 0.000 0.000) 2.920 3.049 ( -11.880 0.000 0.000) 11.880 3.209 ( 15.602 0.000 0.000) 15.602 3.330 ( -15.621 0.000 0.000) 15.621 3.569 ( -14.408 0.000 0.000) 14.408 3.816 ( 2.390 0.000 0.000) 2.390 3.872 ( 2.350 0.000 0.000) 2.350 3.873 ( -0.529 0.000 0.000) 0.529 3.983 ( -4.208 0.000 0.000) 4.208 4.376 ( 11.657 0.000 0.000) 11.657 4.588 ( -15.214 0.000 0.000) 15.214 4.833 ( 14.019 0.000 0.000) 14.019 4.868 ( 13.594 0.000 0.000) 13.594 4.931 ( -5.036 0.000 0.000) 5.036 5.020 ( 1.651 0.000 0.000) 1.651 5.462 ( -7.964 0.000 0.000) 7.964 5.480 ( -6.261 0.000 0.000) 6.261 5.496 ( -2.015 0.000 0.000) 2.015 5.506 ( -6.273 0.000 0.000) 6.273 5.686 ( -16.269 0.000 0.000) 16.269 5.841 ( 7.065 0.000 0.000) 7.065 5.989 ( 6.068 0.000 0.000) 6.068 6.107 ( -0.488 0.000 0.000) 0.488 6.357 ( -0.217 0.000 0.000) 0.217 6.372 ( -6.014 0.000 0.000) 6.014 6.379 ( -0.771 0.000 0.000) 0.771 7.116 ( 5.714 0.000 0.000) 5.714 7.161 ( 2.804 0.000 0.000) 2.804 8.681 ( 19.705 0.000 0.000) 19.705 9.564 ( -7.349 0.000 0.000) 7.349 9.771 ( 5.711 0.000 0.000) 5.711 10.158 ( -6.611 0.000 0.000) 6.611======================= Grid point 3 (4/84) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.284 ( 17.064 0.000 0.000) 17.064 1.483 ( 18.247 0.000 0.000) 18.247 1.498 ( 3.837 0.000 0.000) 3.837 1.599 ( -13.133 0.000 0.000) 13.133 1.685 ( -5.043 0.000 0.000) 5.043 1.972 ( -19.501 0.000 0.000) 19.501 2.452 ( 15.958 0.000 0.000) 15.958 2.658 ( 15.228 0.000 0.000) 15.228 2.662 ( -6.678 0.000 0.000) 6.678 2.773 ( 6.391 0.000 0.000) 6.391 2.885 ( -2.385 0.000 0.000) 2.385 2.991 ( -16.515 0.000 0.000) 16.515 3.113 ( 6.757 0.000 0.000) 6.757 3.300 ( -11.149 0.000 0.000) 11.149 3.501 ( 11.903 0.000 0.000) 11.903 3.778 ( -14.301 0.000 0.000) 14.301 3.858 ( 1.426 0.000 0.000) 1.426 3.873 ( -0.092 0.000 0.000) 0.092 3.985 ( 10.516 0.000 0.000) 10.516 4.271 ( -14.887 0.000 0.000) 14.887 4.574 ( 8.096 0.000 0.000) 8.096 4.757 ( -10.072 0.000 0.000) 10.072 5.102 ( 11.774 0.000 0.000) 11.774 5.130 ( 11.581 0.000 0.000) 11.581 5.139 ( 9.295 0.000 0.000) 9.295 5.319 ( -9.136 0.000 0.000) 9.136 5.346 ( -9.117 0.000 0.000) 9.117 5.366 ( -8.766 0.000 0.000) 8.766 5.407 ( -3.731 0.000 0.000) 3.731 5.440 ( -2.836 0.000 0.000) 2.836 5.983 ( 5.660 0.000 0.000) 5.660 6.049 ( -0.319 0.000 0.000) 0.319 6.138 ( 3.497 0.000 0.000) 3.497 6.242 ( -6.084 0.000 0.000) 6.084 6.356 ( 0.141 0.000 0.000) 0.141 6.364 ( -0.587 0.000 0.000) 0.587 7.199 ( 2.096 0.000 0.000) 2.096 7.206 ( 1.218 0.000 0.000) 1.218 9.061 ( 16.491 0.000 0.000) 16.491 9.360 ( -12.228 0.000 0.000) 12.228 9.895 ( 6.128 0.000 0.000) 6.128 10.023 ( -6.252 0.000 0.000) 6.252======================= Grid point 7 (5/84) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.521 ( 0.000 24.191 0.000) 24.191 0.571 ( 0.000 26.528 0.000) 26.528 0.851 ( 0.000 38.716 0.000) 38.716 1.459 ( 0.000 -17.515 0.000) 17.515 1.616 ( 0.000 -22.160 0.000) 22.160 2.221 ( 0.000 -19.996 0.000) 19.996 2.225 ( 0.000 11.842 0.000) 11.842 2.425 ( 0.000 15.344 0.000) 15.344 2.704 ( 0.000 -8.409 0.000) 8.409 2.903 ( 0.000 -6.538 0.000) 6.538 2.967 ( 0.000 3.357 0.000) 3.357 3.303 ( 0.000 -8.498 0.000) 8.498 3.674 ( 0.000 1.623 0.000) 1.623 3.738 ( 0.000 -0.867 0.000) 0.867 3.748 ( 0.000 1.908 0.000) 1.908 3.778 ( 0.000 0.582 0.000) 0.582 4.036 ( 0.000 4.618 0.000) 4.618 4.073 ( 0.000 2.803 0.000) 2.803 4.189 ( 0.000 1.393 0.000) 1.393 4.205 ( 0.000 0.146 0.000) 0.146 4.213 ( 0.000 -0.151 0.000) 0.151 4.267 ( 0.000 -1.492 0.000) 1.492 5.190 ( 0.000 2.376 0.000) 2.376 5.195 ( 0.000 4.461 0.000) 4.461 5.259 ( 0.000 -2.506 0.000) 2.506 5.447 ( 0.000 -1.124 0.000) 1.124 5.585 ( 0.000 -1.740 0.000) 1.740 5.587 ( 0.000 -3.975 0.000) 3.975 5.616 ( 0.000 0.373 0.000) 0.373 5.635 ( 0.000 -0.331 0.000) 0.331 5.782 ( 0.000 3.123 0.000) 3.123 5.848 ( 0.000 3.317 0.000) 3.317 6.173 ( 0.000 -2.907 0.000) 2.907 6.205 ( 0.000 -1.929 0.000) 1.929 6.370 ( 0.000 0.439 0.000) 0.439 6.394 ( 0.000 -0.429 0.000) 0.429 6.927 ( 0.000 1.727 0.000) 1.727 7.058 ( 0.000 -3.333 0.000) 3.333 8.301 ( 0.000 6.952 0.000) 6.952 8.599 ( 0.000 -4.510 0.000) 4.510 10.309 ( 0.000 6.684 0.000) 6.684 10.663 ( 0.000 -6.427 0.000) 6.427======================= Grid point 8 (6/84) =======================q-point: ( 0.14 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.595 ( 13.248 13.813 0.000) 19.139 0.723 ( 12.871 20.029 0.000) 23.807 1.332 ( 34.024 26.019 0.000) 42.833 1.406 ( -3.507 -15.064 0.000) 15.467 1.641 ( 1.819 -20.310 0.000) 20.391 2.053 ( -7.155 10.073 0.000) 12.356 2.399 ( 9.885 -17.105 0.000) 19.756 2.435 ( 1.314 14.410 0.000) 14.470 2.564 ( -11.515 -11.391 0.000) 16.197 2.905 ( 0.281 -6.795 0.000) 6.801 3.005 ( -0.124 7.236 0.000) 7.238 3.178 ( -7.435 2.495 0.000) 7.842 3.619 ( -20.221 6.214 0.000) 21.154 3.624 ( -6.541 2.731 0.000) 7.088 3.744 ( -0.779 -2.079 0.000) 2.220 3.793 ( -3.962 -0.653 0.000) 4.015 3.895 ( -12.693 1.181 0.000) 12.748 3.944 ( -9.548 -0.750 0.000) 9.577 3.959 ( 11.629 -1.104 0.000) 11.681 4.077 ( 2.565 3.595 0.000) 4.416 4.530 ( 15.516 0.539 0.000) 15.526 4.562 ( 15.137 -0.653 0.000) 15.151 4.889 ( -5.213 7.295 0.000) 8.966 4.989 ( -10.383 -1.910 0.000) 10.557 5.265 ( -9.312 7.553 0.000) 11.990 5.445 ( 0.380 -3.737 0.000) 3.756 5.582 ( -3.194 0.374 0.000) 3.216 5.601 ( -3.190 -0.333 0.000) 3.207 5.611 ( -3.410 0.655 0.000) 3.473 5.746 ( 4.884 2.165 0.000) 5.342 5.840 ( -3.200 -3.487 0.000) 4.733 5.946 ( 3.859 -1.903 0.000) 4.303 6.100 ( -2.923 -1.677 0.000) 3.370 6.357 ( 9.380 -9.287 0.000) 13.200 6.367 ( -0.289 0.399 0.000) 0.492 6.388 ( -0.492 -0.391 0.000) 0.629 6.987 ( 5.699 0.832 0.000) 5.760 7.083 ( 2.516 -2.525 0.000) 3.564 8.331 ( 9.604 7.634 0.000) 12.268 8.923 ( 16.052 -21.047 0.000) 26.470 10.230 ( -6.677 10.252 0.000) 12.235 10.439 ( -12.243 6.109 0.000) 13.682======================= Grid point 9 (7/84) =======================q-point: ( 0.29 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 20.135 0.514 0.000) 20.141 1.032 ( 15.561 11.667 0.000) 19.449 1.387 ( 2.714 -9.456 0.000) 9.838 1.655 ( -1.403 -13.510 0.000) 13.583 1.871 ( -9.078 2.712 0.000) 9.474 2.052 ( 26.868 13.048 0.000) 29.869 2.279 ( -11.554 -6.111 0.000) 13.071 2.504 ( 5.961 9.951 0.000) 11.600 2.583 ( 3.548 -2.507 0.000) 4.345 2.908 ( -1.523 2.607 0.000) 3.019 2.919 ( 1.042 -7.737 0.000) 7.807 3.048 ( -11.448 -1.615 0.000) 11.561 3.391 ( -13.452 4.445 0.000) 14.167 3.393 ( 4.570 13.061 0.000) 13.838 3.546 ( -13.659 -2.087 0.000) 13.818 3.769 ( -0.256 -5.484 0.000) 5.490 3.825 ( 1.637 0.793 0.000) 1.819 3.865 ( -0.312 -0.699 0.000) 0.765 4.043 ( -2.563 2.215 0.000) 3.387 4.237 ( 10.345 -8.983 0.000) 13.701 4.672 ( -15.811 5.160 0.000) 16.632 4.837 ( 13.969 0.439 0.000) 13.976 4.862 ( 13.668 -0.484 0.000) 13.677 4.867 ( -5.565 -2.982 0.000) 6.314 5.132 ( -1.871 6.404 0.000) 6.671 5.382 ( -4.666 -5.647 0.000) 7.325 5.474 ( -6.228 -1.948 0.000) 6.525 5.484 ( -6.263 0.372 0.000) 6.274 5.503 ( -6.272 -0.333 0.000) 6.281 5.585 ( -13.740 -6.384 0.000) 15.151 5.934 ( 8.529 5.298 0.000) 10.041 6.052 ( 1.425 5.686 0.000) 5.861 6.092 ( 4.871 1.768 0.000) 5.182 6.360 ( -0.300 0.280 0.000) 0.410 6.375 ( -0.692 -0.278 0.000) 0.746 6.431 ( -1.013 0.226 0.000) 1.038 7.123 ( 5.935 0.334 0.000) 5.945 7.157 ( 4.168 -0.573 0.000) 4.207 8.612 ( 14.922 -1.898 0.000) 15.042 9.123 ( 3.505 -21.878 0.000) 22.157 10.108 ( -3.800 12.873 0.000) 13.422 10.251 ( -6.851 5.910 0.000) 9.048======================= Grid point 10 (8/84) =======================q-point: ( 0.43 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.336 ( 13.163 4.568 0.000) 13.933 1.372 ( 16.987 -4.271 0.000) 17.516 1.529 ( 11.750 -3.936 0.000) 12.392 1.559 ( -7.902 -3.674 0.000) 8.714 1.642 ( -11.342 -0.195 0.000) 11.344 1.876 ( -18.615 -7.159 0.000) 19.944 2.496 ( 4.831 2.873 0.000) 5.620 2.594 ( -3.042 -1.670 0.000) 3.470 2.685 ( 10.896 2.644 0.000) 11.212 2.895 ( -6.304 -6.224 0.000) 8.859 2.920 ( 8.969 9.132 0.000) 12.800 3.017 ( 3.386 8.790 0.000) 9.420 3.187 ( -2.287 4.296 0.000) 4.867 3.293 ( -9.907 -0.763 0.000) 9.936 3.556 ( 7.362 3.908 0.000) 8.335 3.731 ( -6.849 -4.801 0.000) 8.364 3.859 ( 1.191 0.105 0.000) 1.195 3.869 ( 0.106 -0.285 0.000) 0.304 4.027 ( 7.024 4.789 0.000) 8.501 4.303 ( -13.978 3.210 0.000) 14.342 4.453 ( 6.208 -9.842 0.000) 11.636 4.655 ( -12.130 -8.233 0.000) 14.660 5.106 ( 11.739 0.362 0.000) 11.744 5.126 ( 11.596 -0.392 0.000) 11.603 5.174 ( 5.179 2.465 0.000) 5.735 5.324 ( -9.116 0.374 0.000) 9.124 5.327 ( -9.153 -2.992 0.000) 9.630 5.342 ( -9.110 -0.328 0.000) 9.115 5.343 ( 0.772 -3.890 0.000) 3.966 5.390 ( -3.791 -3.768 0.000) 5.345 6.046 ( 2.504 3.439 0.000) 4.254 6.068 ( 0.392 2.043 0.000) 2.080 6.228 ( 7.024 8.505 0.000) 11.030 6.357 ( 0.033 0.100 0.000) 0.105 6.360 ( -5.269 6.251 0.000) 8.175 6.363 ( -0.481 -0.102 0.000) 0.492 7.210 ( 2.601 1.058 0.000) 2.808 7.224 ( 1.483 1.475 0.000) 2.092 8.898 ( 11.977 -10.381 0.000) 15.850 9.090 ( -6.030 -17.309 0.000) 18.329 10.082 ( 1.065 10.318 0.000) 10.373 10.138 ( -4.101 7.277 0.000) 8.353======================= Grid point 14 (9/84) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( 0.000 -21.886 0.000) 21.886 1.014 ( 0.000 21.886 0.000) 21.886 1.117 ( 0.000 -24.824 0.000) 24.824 1.117 ( 0.000 24.824 0.000) 24.824 1.641 ( 0.000 -32.910 0.000) 32.910 1.641 ( 0.000 32.910 0.000) 32.910 2.480 ( 0.000 -11.841 0.000) 11.841 2.480 ( 0.000 11.841 0.000) 11.841 2.710 ( 0.000 -11.436 0.000) 11.436 2.710 ( 0.000 11.436 0.000) 11.436 3.106 ( 0.000 -8.908 0.000) 8.908 3.106 ( 0.000 8.908 0.000) 8.908 3.711 ( 0.000 -1.624 0.000) 1.624 3.711 ( 0.000 1.624 0.000) 1.624 3.781 ( 0.000 -0.758 0.000) 0.758 3.781 ( 0.000 0.758 0.000) 0.758 4.100 ( 0.000 -0.811 0.000) 0.811 4.100 ( 0.000 0.811 0.000) 0.811 4.209 ( 0.000 -0.211 0.000) 0.211 4.209 ( 0.000 0.211 0.000) 0.211 4.227 ( 0.000 -2.050 0.000) 2.050 4.227 ( 0.000 2.050 0.000) 2.050 5.221 ( 0.000 -1.302 0.000) 1.302 5.221 ( 0.000 1.302 0.000) 1.302 5.336 ( 0.000 -7.309 0.000) 7.309 5.336 ( 0.000 7.309 0.000) 7.309 5.563 ( 0.000 -0.355 0.000) 0.355 5.563 ( 0.000 0.355 0.000) 0.355 5.625 ( 0.000 -0.496 0.000) 0.496 5.625 ( 0.000 0.496 0.000) 0.496 5.850 ( 0.000 -2.675 0.000) 2.675 5.850 ( 0.000 2.675 0.000) 2.675 6.158 ( 0.000 -1.691 0.000) 1.691 6.158 ( 0.000 1.691 0.000) 1.691 6.382 ( 0.000 -0.614 0.000) 0.614 6.382 ( 0.000 0.614 0.000) 0.614 6.982 ( 0.000 -3.366 0.000) 3.366 6.982 ( 0.000 3.366 0.000) 3.366 8.466 ( 0.000 -7.691 0.000) 7.691 8.466 ( 0.000 7.691 0.000) 7.691 10.487 ( 0.000 -9.273 0.000) 9.273 10.487 ( 0.000 9.273 0.000) 9.273======================= Grid point 16 (10/84) =======================q-point: ( 0.14 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( 1.290 -20.884 0.000) 20.924 0.997 ( 1.290 20.884 0.000) 20.924 1.185 ( 6.038 -22.274 0.000) 23.078 1.185 ( 6.038 22.274 0.000) 23.078 1.922 ( 22.741 -26.277 0.000) 34.751 1.922 ( 22.741 26.277 0.000) 34.751 2.301 ( -13.063 -12.357 0.000) 17.982 2.301 ( -13.063 12.357 0.000) 17.982 2.710 ( 0.123 -11.303 0.000) 11.303 2.710 ( 0.123 11.303 0.000) 11.303 3.155 ( -1.392 -5.266 0.000) 5.446 3.155 ( -1.392 5.266 0.000) 5.446 3.674 ( -6.487 -4.530 0.000) 7.912 3.674 ( -6.487 4.530 0.000) 7.912 3.688 ( -4.104 -3.056 0.000) 5.117 3.688 ( -4.104 3.056 0.000) 5.117 3.922 ( -10.509 -1.239 0.000) 10.582 3.922 ( -10.509 1.239 0.000) 10.582 4.080 ( -0.887 -4.068 0.000) 4.163 4.080 ( -0.887 4.068 0.000) 4.163 4.545 ( 15.368 -0.841 0.000) 15.391 4.545 ( 15.368 0.841 0.000) 15.391 4.973 ( -9.340 -1.063 0.000) 9.400 4.973 ( -9.340 1.063 0.000) 9.400 5.362 ( -4.741 -3.351 0.000) 5.805 5.362 ( -4.741 3.351 0.000) 5.805 5.592 ( -3.193 -0.498 0.000) 3.231 5.592 ( -3.193 0.498 0.000) 3.231 5.718 ( -9.371 -6.905 0.000) 11.640 5.718 ( -9.371 6.905 0.000) 11.640 5.846 ( 14.279 -7.152 0.000) 15.970 5.846 ( 14.279 7.152 0.000) 15.970 6.170 ( 3.182 -7.288 0.000) 7.952 6.170 ( 3.182 7.288 0.000) 7.952 6.378 ( -0.392 -0.558 0.000) 0.682 6.378 ( -0.392 0.558 0.000) 0.682 7.024 ( 3.967 -2.548 0.000) 4.715 7.024 ( 3.967 2.548 0.000) 4.715 8.575 ( 8.499 -14.026 0.000) 16.400 8.575 ( 8.499 14.026 0.000) 16.400 10.408 ( -6.327 -6.579 0.000) 9.128 10.408 ( -6.327 6.579 0.000) 9.128======================= Grid point 18 (11/84) =======================q-point: ( 0.29 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( 10.228 -12.577 0.000) 16.210 1.120 ( 10.228 12.577 0.000) 16.210 1.334 ( 7.401 -15.704 0.000) 17.361 1.334 ( 7.401 15.704 0.000) 17.361 2.009 ( -13.410 -9.301 0.000) 16.320 2.009 ( -13.410 9.301 0.000) 16.320 2.444 ( 21.605 -12.568 0.000) 24.995 2.444 ( 21.605 12.568 0.000) 24.995 2.725 ( 1.535 -10.192 0.000) 10.307 2.725 ( 1.535 10.192 0.000) 10.307 2.973 ( -9.689 -4.708 0.000) 10.773 2.973 ( -9.689 4.708 0.000) 10.773 3.483 ( -12.737 -3.847 0.000) 13.305 3.483 ( -12.737 3.847 0.000) 13.305 3.634 ( 0.712 -8.981 0.000) 9.009 3.634 ( 0.712 8.981 0.000) 9.009 3.846 ( 0.418 -1.043 0.000) 1.124 3.846 ( 0.418 1.043 0.000) 1.124 4.094 ( 2.450 -4.166 0.000) 4.833 4.094 ( 2.450 4.166 0.000) 4.833 4.783 ( -12.231 -5.158 0.000) 13.274 4.783 ( -12.231 5.158 0.000) 13.274 4.850 ( 13.831 -0.651 0.000) 13.846 4.850 ( 13.831 0.651 0.000) 13.846 5.258 ( -3.149 -5.811 0.000) 6.610 5.258 ( -3.149 5.811 0.000) 6.610 5.479 ( -10.581 -3.014 0.000) 11.002 5.479 ( -10.581 3.014 0.000) 11.002 5.494 ( -6.268 -0.497 0.000) 6.288 5.494 ( -6.268 0.497 0.000) 6.288 6.030 ( 4.403 -3.435 0.000) 5.584 6.030 ( 4.403 3.435 0.000) 5.584 6.303 ( 6.845 -10.940 0.000) 12.905 6.303 ( 6.845 10.940 0.000) 12.905 6.368 ( -0.498 -0.394 0.000) 0.635 6.368 ( -0.498 0.394 0.000) 0.635 7.135 ( 6.032 -1.039 0.000) 6.121 7.135 ( 6.032 1.039 0.000) 6.121 8.739 ( 6.185 -13.483 0.000) 14.834 8.739 ( 6.185 13.483 0.000) 14.834 10.281 ( -5.017 -3.720 0.000) 6.246 10.281 ( -5.017 3.720 0.000) 6.246======================= Grid point 20 (12/84) =======================q-point: ( 0.43 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 77Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( 13.342 -5.481 0.000) 14.424 1.381 ( 13.342 5.481 0.000) 14.424 1.453 ( 3.304 -5.843 0.000) 6.712 1.453 ( 3.304 5.843 0.000) 6.712 1.727 ( -13.222 -6.290 0.000) 14.641 1.727 ( -13.222 6.290 0.000) 14.641 2.555 ( -4.288 -2.609 0.000) 5.019 2.555 ( -4.288 2.609 0.000) 5.019 2.770 ( 2.129 -5.214 0.000) 5.632 2.770 ( 2.129 5.214 0.000) 5.632 3.092 ( 13.127 -3.879 0.000) 13.689 3.092 ( 13.127 3.879 0.000) 13.689 3.260 ( -6.887 -2.469 0.000) 7.316 3.260 ( -6.887 2.469 0.000) 7.316 3.626 ( -1.725 -3.601 0.000) 3.993 3.626 ( -1.725 3.601 0.000) 3.993 3.863 ( 0.628 -0.285 0.000) 0.690 3.863 ( 0.628 0.285 0.000) 0.690 4.196 ( 8.172 -10.595 0.000) 13.380 4.196 ( 8.172 10.595 0.000) 13.380 4.460 ( -16.352 -8.870 0.000) 18.603 4.460 ( -16.352 8.870 0.000) 18.603 5.115 ( 11.658 -0.529 0.000) 11.670 5.115 ( 11.658 0.529 0.000) 11.670 5.237 ( -0.036 -3.820 0.000) 3.820 5.237 ( -0.036 3.820 0.000) 3.820 5.328 ( -3.578 -1.476 0.000) 3.870 5.328 ( -3.578 1.476 0.000) 3.870 5.333 ( -9.100 -0.493 0.000) 9.114 5.333 ( -9.100 0.493 0.000) 9.114 6.091 ( 1.631 -0.538 0.000) 1.717 6.091 ( 1.631 0.538 0.000) 1.717 6.360 ( -0.225 -0.143 0.000) 0.267 6.360 ( -0.225 0.143 0.000) 0.267 6.389 ( 1.646 -4.138 0.000) 4.453 6.389 ( 1.646 4.138 0.000) 4.453 7.237 ( 2.971 -0.794 0.000) 3.075 7.237 ( 2.971 0.794 0.000) 3.075 8.821 ( 1.847 -5.373 0.000) 5.682 8.821 ( 1.847 5.373 0.000) 5.682 10.213 ( -1.594 -1.316 0.000) 2.068 10.213 ( -1.594 1.316 0.000) 2.068======================= Grid point 35 (13/84) =======================q-point: ( 0.00 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.441 ( 0.000 0.000 22.745) 22.745 0.547 ( 0.000 0.000 26.818) 26.818 0.975 ( 0.000 0.000 46.989) 46.989 1.817 ( 0.000 0.000 10.836) 10.836 1.859 ( 0.000 0.000 0.624) 0.624 1.947 ( 0.000 0.000 -9.483) 9.483 2.176 ( 0.000 0.000 12.895) 12.895 2.731 ( 0.000 0.000 22.965) 22.965 2.750 ( 0.000 0.000 -1.609) 1.609 2.930 ( 0.000 0.000 -1.943) 1.943 3.086 ( 0.000 0.000 7.095) 7.095 3.367 ( 0.000 0.000 -0.381) 0.381 3.456 ( 0.000 0.000 6.858) 6.858 3.691 ( 0.000 0.000 -0.143) 0.143 3.760 ( 0.000 0.000 9.534) 9.534 3.781 ( 0.000 0.000 1.348) 1.348 3.923 ( 0.000 0.000 13.364) 13.364 3.947 ( 0.000 0.000 -0.943) 0.943 4.078 ( 0.000 0.000 -7.809) 7.809 4.212 ( 0.000 0.000 0.846) 0.846 4.248 ( 0.000 0.000 2.125) 2.125 4.387 ( 0.000 0.000 8.122) 8.122 4.856 ( 0.000 0.000 10.773) 10.773 5.107 ( 0.000 0.000 -2.177) 2.177 5.137 ( 0.000 0.000 -12.561) 12.561 5.409 ( 0.000 0.000 -2.416) 2.416 5.521 ( 0.000 0.000 3.176) 3.176 5.548 ( 0.000 0.000 -3.463) 3.463 5.695 ( 0.000 0.000 -4.243) 4.243 5.760 ( 0.000 0.000 -21.934) 21.934 5.782 ( 0.000 0.000 1.191) 1.191 5.865 ( 0.000 0.000 11.830) 11.830 6.047 ( 0.000 0.000 4.311) 4.311 6.121 ( 0.000 0.000 -5.237) 5.237 6.653 ( 0.000 0.000 6.642) 6.642 6.892 ( 0.000 0.000 -1.668) 1.668 7.330 ( 0.000 0.000 22.349) 22.349 7.932 ( 0.000 0.000 -12.518) 12.518 8.074 ( 0.000 0.000 -14.035) 14.035 9.216 ( 0.000 0.000 -1.750) 1.750 9.565 ( 0.000 0.000 -5.964) 5.964 10.172 ( 0.000 0.000 -5.656) 5.656======================= Grid point 36 (14/84) =======================q-point: ( 0.14 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.738 ( 15.932 0.000 18.951) 24.759 0.777 ( 19.445 0.000 17.577) 26.212 1.279 ( 27.911 0.000 32.139) 42.567 1.661 ( -7.420 0.000 5.413) 9.184 1.891 ( 1.108 0.000 0.224) 1.131 2.111 ( 8.557 0.000 -3.302) 9.172 2.168 ( -0.486 0.000 15.548) 15.555 2.658 ( -6.830 0.000 -2.181) 7.170 2.769 ( -10.780 0.000 7.288) 13.013 2.912 ( 8.529 0.000 7.664) 11.467 3.068 ( -0.938 0.000 3.554) 3.676 3.234 ( -8.221 0.000 11.694) 14.295 3.258 ( -9.615 0.000 -1.129) 9.681 3.681 ( -8.546 0.000 7.077) 11.096 3.791 ( 1.255 0.000 1.460) 1.925 3.858 ( -12.738 0.000 -2.201) 12.927 3.912 ( 6.263 0.000 8.232) 10.343 3.966 ( 0.774 0.000 2.360) 2.484 4.070 ( 14.278 0.000 1.874) 14.400 4.092 ( -4.866 0.000 7.312) 8.783 4.446 ( 11.195 0.000 -4.040) 11.902 4.600 ( 13.976 0.000 2.712) 14.236 4.908 ( 2.993 0.000 10.925) 11.327 4.969 ( -4.787 0.000 -6.796) 8.313 5.130 ( -15.076 0.000 1.428) 15.143 5.273 ( 3.386 0.000 -10.330) 10.871 5.621 ( 4.274 0.000 -1.417) 4.503 5.633 ( -3.235 0.000 0.680) 3.305 5.666 ( -8.169 0.000 -20.054) 21.654 5.716 ( 1.196 0.000 -1.575) 1.977 5.816 ( 7.018 0.000 -0.202) 7.021 5.836 ( -2.752 0.000 12.258) 12.563 6.077 ( 2.902 0.000 -3.330) 4.417 6.096 ( -1.836 0.000 -4.436) 4.801 6.628 ( -2.336 0.000 9.487) 9.770 6.863 ( -3.999 0.000 0.358) 4.015 7.257 ( -3.756 0.000 15.471) 15.920 7.470 ( -25.904 0.000 29.102) 38.961 8.155 ( 17.363 0.000 -11.488) 20.820 9.349 ( 2.408 0.000 -22.830) 22.957 9.600 ( 3.230 0.000 -6.363) 7.136 10.175 ( -2.298 0.000 -7.359) 7.709======================= Grid point 37 (15/84) =======================q-point: ( 0.29 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 19.961 0.000 10.325) 22.473 1.148 ( 17.016 0.000 18.474) 25.117 1.535 ( -1.559 0.000 7.564) 7.723 1.837 ( -5.813 0.000 1.964) 6.136 1.977 ( 31.990 0.000 12.266) 34.261 2.095 ( -8.579 0.000 19.575) 21.372 2.227 ( -1.705 0.000 -3.445) 3.844 2.557 ( -2.340 0.000 8.381) 8.701 2.600 ( 2.325 0.000 -4.306) 4.894 2.827 ( -9.135 0.000 -0.393) 9.143 3.026 ( -10.884 0.000 -0.999) 10.929 3.186 ( 1.789 0.000 15.375) 15.479 3.285 ( 14.817 0.000 8.135) 16.903 3.406 ( -16.142 0.000 4.219) 16.684 3.614 ( -10.998 0.000 4.446) 11.863 3.837 ( 3.476 0.000 1.768) 3.900 3.978 ( 0.495 0.000 8.252) 8.267 3.986 ( 1.957 0.000 10.797) 10.973 4.015 ( -4.941 0.000 4.489) 6.676 4.353 ( 11.640 0.000 -1.430) 11.728 4.566 ( -5.800 0.000 -1.699) 6.044 4.806 ( -0.781 0.000 -0.924) 1.210 4.908 ( 10.910 0.000 4.535) 11.815 4.934 ( 1.828 0.000 -6.941) 7.177 5.013 ( -0.113 0.000 3.898) 3.900 5.267 ( -3.097 0.000 -10.035) 10.502 5.467 ( -6.451 0.000 -5.608) 8.548 5.500 ( -8.433 0.000 -4.255) 9.446 5.622 ( -5.371 0.000 8.343) 9.923 5.729 ( -3.351 0.000 9.918) 10.469 5.809 ( 4.891 0.000 -1.412) 5.090 5.963 ( 5.189 0.000 -2.657) 5.830 6.068 ( -0.504 0.000 -3.196) 3.236 6.130 ( 1.212 0.000 -8.665) 8.749 6.571 ( -2.578 0.000 12.464) 12.728 6.712 ( -8.377 0.000 11.146) 13.943 7.224 ( 0.157 0.000 7.725) 7.727 7.238 ( -1.780 0.000 13.589) 13.705 8.539 ( 18.250 0.000 -14.071) 23.045 9.311 ( -5.131 0.000 -23.501) 24.055 9.690 ( 5.197 0.000 -7.196) 8.877 10.076 ( -6.332 0.000 -6.684) 9.207======================= Grid point 38 (16/84) =======================q-point: ( 0.43 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.463 ( 10.653 0.000 10.419) 14.901 1.501 ( 11.629 0.000 3.247) 12.074 1.584 ( 8.254 0.000 12.509) 14.987 1.732 ( 0.730 0.000 6.325) 6.367 1.851 ( -13.393 0.000 19.458) 23.622 1.995 ( -15.836 0.000 2.744) 16.072 2.465 ( 11.200 0.000 3.317) 11.681 2.603 ( -4.455 0.000 -3.128) 5.444 2.718 ( 10.482 0.000 3.176) 10.953 2.791 ( 10.428 0.000 3.277) 10.931 2.884 ( -3.774 0.000 0.405) 3.796 3.068 ( -15.331 0.000 4.787) 16.061 3.270 ( 5.758 0.000 14.120) 15.249 3.409 ( -8.237 0.000 9.524) 12.592 3.541 ( 10.521 0.000 3.706) 11.155 3.810 ( -14.059 0.000 3.380) 14.460 3.954 ( 5.174 0.000 7.427) 9.052 3.987 ( -0.017 0.000 10.363) 10.363 4.048 ( 7.759 0.000 7.764) 10.976 4.314 ( -14.058 0.000 4.342) 14.713 4.549 ( 7.832 0.000 -1.878) 8.055 4.720 ( -8.772 0.000 -2.758) 9.195 5.033 ( 5.548 0.000 -5.415) 7.752 5.041 ( 7.202 0.000 -7.827) 10.636 5.179 ( 8.143 0.000 -0.379) 8.152 5.179 ( -4.427 0.000 -8.533) 9.613 5.300 ( -5.667 0.000 -1.156) 5.783 5.453 ( -10.103 0.000 9.153) 13.632 5.490 ( 4.977 0.000 7.909) 9.345 5.616 ( -6.347 0.000 11.178) 12.855 5.942 ( 5.775 0.000 -3.961) 7.003 6.012 ( -0.569 0.000 -3.820) 3.862 6.079 ( 1.522 0.000 -4.038) 4.316 6.120 ( -1.803 0.000 -6.962) 7.191 6.540 ( -0.074 0.000 12.612) 12.612 6.579 ( -4.062 0.000 12.818) 13.446 7.237 ( 0.651 0.000 4.348) 4.396 7.240 ( 0.458 0.000 5.273) 5.293 8.886 ( 14.867 0.000 -17.488) 22.953 9.149 ( -10.324 0.000 -20.870) 23.284 9.808 ( 6.011 0.000 -7.613) 9.700 9.939 ( -6.568 0.000 -7.130) 9.695======================= Grid point 42 (17/84) =======================q-point: ( 0.00 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( 0.000 18.449 14.631) 23.547 0.694 ( 0.000 16.475 14.996) 22.278 1.326 ( 0.000 23.345 34.179) 41.391 1.541 ( 0.000 -14.299 8.920) 16.853 1.621 ( 0.000 -21.124 -0.864) 21.141 2.177 ( 0.000 15.018 -0.890) 15.044 2.320 ( 0.000 -2.367 11.331) 11.575 2.570 ( 0.000 -6.170 4.806) 7.821 2.758 ( 0.000 -3.047 11.076) 11.488 2.965 ( 0.000 6.104 1.920) 6.399 3.012 ( 0.000 -6.575 6.872) 9.511 3.351 ( 0.000 -8.185 6.779) 10.628 3.694 ( 0.000 11.085 -10.626) 15.355 3.703 ( 0.000 1.195 -1.069) 1.603 3.777 ( 0.000 1.572 8.876) 9.014 3.806 ( 0.000 6.780 -2.989) 7.409 3.884 ( 0.000 -2.382 9.555) 9.847 3.997 ( 0.000 1.946 -0.372) 1.981 4.138 ( 0.000 4.887 -7.677) 9.100 4.229 ( 0.000 1.884 0.513) 1.952 4.241 ( 0.000 -0.675 1.602) 1.738 4.367 ( 0.000 -1.829 6.300) 6.560 4.904 ( 0.000 4.473 2.815) 5.285 5.103 ( 0.000 -2.779 -10.658) 11.015 5.165 ( 0.000 4.525 -2.321) 5.086 5.387 ( 0.000 -3.295 -4.617) 5.672 5.521 ( 0.000 0.297 1.694) 1.720 5.548 ( 0.000 0.026 -2.263) 2.264 5.703 ( 0.000 0.439 -3.703) 3.729 5.736 ( 0.000 -2.309 1.155) 2.582 5.760 ( 0.000 1.203 -13.489) 13.542 5.938 ( 0.000 4.569 6.487) 7.935 5.966 ( 0.000 -6.235 2.395) 6.679 6.104 ( 0.000 -2.232 -0.373) 2.263 6.664 ( 0.000 1.318 7.398) 7.515 6.845 ( 0.000 -5.041 0.535) 5.069 7.287 ( 0.000 -3.397 22.934) 23.184 7.422 ( 0.000 -24.007 36.021) 43.288 8.148 ( 0.000 6.369 -14.723) 16.042 8.511 ( 0.000 -13.573 -5.782) 14.753 10.233 ( 0.000 5.188 -6.936) 8.662 10.302 ( 0.000 13.721 -23.815) 27.485======================= Grid point 43 (18/84) =======================q-point: ( 0.14 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.755 ( 11.993 7.325 15.677) 21.053 0.962 ( 15.195 15.143 15.214) 26.299 1.445 ( -1.788 -16.253 4.335) 16.915 1.588 ( 21.219 21.685 24.385) 38.924 1.760 ( 7.114 -17.914 8.780) 21.180 2.042 ( -5.675 10.513 0.467) 11.956 2.392 ( 0.587 2.000 7.128) 7.427 2.522 ( -6.101 -10.833 0.042) 12.433 2.719 ( -1.164 -0.527 13.765) 13.824 2.928 ( -1.126 0.483 0.406) 1.290 3.085 ( 4.560 1.412 7.913) 9.242 3.185 ( -11.227 -1.287 6.043) 12.815 3.500 ( -12.845 10.223 -5.699) 17.378 3.701 ( -6.408 0.742 5.736) 8.632 3.766 ( -1.279 -0.967 0.496) 1.679 3.827 ( -3.633 -0.090 3.908) 5.336 3.937 ( -5.139 1.601 3.110) 6.217 3.957 ( 6.039 -3.980 2.243) 7.573 4.013 ( 1.718 0.680 4.672) 5.024 4.121 ( -1.863 1.103 4.266) 4.783 4.480 ( 12.353 2.386 -4.120) 13.239 4.579 ( 13.560 -1.844 0.630) 13.700 4.929 ( 2.390 1.734 5.865) 6.566 4.959 ( -7.742 -0.000 -1.502) 7.886 5.196 ( -9.167 4.221 -2.829) 10.481 5.269 ( 0.643 -0.606 -9.055) 9.098 5.555 ( -2.118 -3.628 -3.347) 5.371 5.631 ( -4.130 -3.474 -11.544) 12.743 5.663 ( 0.150 1.438 -1.187) 1.871 5.688 ( -1.649 -0.668 -1.533) 2.348 5.825 ( 3.463 1.860 5.763) 6.976 5.907 ( 2.911 4.006 2.749) 5.664 6.036 ( 2.763 -3.328 -0.579) 4.364 6.083 ( 0.379 -1.501 -5.052) 5.284 6.643 ( -2.069 1.625 10.395) 10.723 6.818 ( -3.099 -4.398 3.979) 6.691 7.210 ( -3.197 -2.819 17.743) 18.248 7.337 ( -6.447 -9.244 29.597) 31.670 8.197 ( 10.241 6.538 -12.887) 17.711 8.766 ( 13.548 -21.392 -13.965) 28.917 10.110 ( -8.128 14.225 -12.533) 20.627 10.254 ( -4.605 5.768 -12.189) 14.250======================= Grid point 44 (19/84) =======================q-point: ( 0.29 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( 17.816 -0.206 10.956) 20.916 1.266 ( 14.087 10.143 17.615) 24.731 1.449 ( 3.491 -9.591 6.250) 11.968 1.793 ( -3.803 -5.486 9.612) 11.703 1.963 ( -2.408 -3.565 9.686) 10.599 2.141 ( 22.406 11.417 10.123) 27.108 2.267 ( -11.571 -3.592 1.810) 12.250 2.442 ( 2.128 -2.872 -2.586) 4.412 2.699 ( -1.121 8.424 5.578) 10.166 2.895 ( -3.150 3.396 -1.159) 4.775 3.027 ( -3.709 -2.406 4.029) 5.982 3.098 ( -2.101 -6.611 13.452) 15.135 3.416 ( 7.050 10.432 3.324) 13.022 3.480 ( -12.085 5.003 6.780) 14.733 3.618 ( -11.185 0.065 5.349) 12.398 3.764 ( 0.792 -5.298 1.178) 5.485 3.951 ( 1.756 -0.740 9.564) 9.752 3.974 ( 0.423 -0.729 9.714) 9.750 4.053 ( -2.433 0.956 1.871) 3.215 4.233 ( 9.661 -8.000 0.039) 12.543 4.641 ( -5.231 4.914 -2.723) 7.676 4.772 ( -2.763 -2.450 -1.597) 4.024 4.852 ( 10.101 -0.419 -1.621) 10.239 4.960 ( -0.087 -1.768 4.158) 4.519 5.102 ( 1.373 6.194 -1.306) 6.477 5.247 ( -1.496 -1.555 -6.492) 6.841 5.418 ( -9.717 -4.795 -9.878) 14.663 5.436 ( -6.889 -2.928 -1.462) 7.627 5.624 ( -4.735 0.192 8.430) 9.671 5.686 ( -3.481 -3.115 9.689) 10.756 5.896 ( 5.887 6.058 -2.099) 8.704 5.993 ( 1.881 2.928 -3.748) 5.115 6.057 ( 2.810 0.205 -2.397) 3.700 6.160 ( 3.230 0.440 -8.940) 9.515 6.593 ( -2.129 2.309 13.192) 13.561 6.719 ( -5.588 -0.476 10.144) 11.591 7.202 ( 1.692 -0.256 8.824) 8.989 7.268 ( -0.469 0.106 13.361) 13.370 8.477 ( 14.333 -1.944 -13.334) 19.672 8.942 ( 3.395 -20.271 -17.446) 26.959 9.985 ( -3.394 13.484 -11.468) 18.024 10.137 ( -5.981 4.040 -9.189) 11.685======================= Grid point 45 (20/84) =======================q-point: ( 0.43 0.25 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 13.460 -1.853 6.423) 15.028 1.541 ( 11.013 4.030 12.171) 16.901 1.601 ( 10.776 -2.603 9.729) 14.750 1.672 ( -4.834 -1.263 8.556) 9.908 1.826 ( -9.111 -2.098 18.830) 21.023 1.931 ( -17.124 -5.829 6.397) 19.186 2.429 ( 4.445 -1.576 -3.402) 5.815 2.504 ( -1.713 -3.613 -5.394) 6.714 2.732 ( 5.643 1.552 2.020) 6.191 2.871 ( -3.141 -1.296 -0.792) 3.489 3.022 ( 7.359 10.824 7.808) 15.241 3.132 ( 0.413 7.812 8.778) 11.758 3.321 ( -0.167 3.510 12.252) 12.746 3.414 ( -7.350 0.131 10.310) 12.663 3.575 ( 6.332 2.303 1.841) 6.985 3.750 ( -6.889 -5.677 2.445) 9.256 3.971 ( 1.607 1.075 8.825) 9.034 3.985 ( 0.221 -0.166 10.355) 10.359 4.066 ( 8.018 2.832 5.287) 10.013 4.337 ( -11.914 1.992 3.576) 12.598 4.439 ( 4.828 -8.500 -0.807) 9.809 4.632 ( -11.250 -7.048 -1.617) 13.374 5.026 ( 7.139 -0.291 -5.866) 9.244 5.037 ( 6.077 -0.266 -6.703) 9.051 5.160 ( -2.688 -0.863 -7.589) 8.097 5.212 ( -7.470 -1.162 -7.700) 10.791 5.269 ( 6.315 0.912 6.381) 9.023 5.404 ( -0.203 -3.619 6.430) 7.381 5.502 ( -3.862 0.901 10.225) 10.967 5.575 ( -6.160 -2.863 11.169) 13.072 5.998 ( 2.952 3.523 -4.466) 6.409 6.021 ( 0.743 1.493 -4.166) 4.487 6.124 ( 3.323 3.755 -5.535) 7.469 6.179 ( -1.254 2.622 -7.859) 8.379 6.573 ( 0.457 2.963 12.778) 13.125 6.617 ( -3.758 2.557 11.796) 12.642 7.246 ( 2.002 1.421 4.960) 5.534 7.270 ( -0.203 1.970 5.944) 6.265 8.746 ( 11.060 -9.212 -15.244) 20.966 8.919 ( -5.185 -15.436 -17.093) 23.608 9.966 ( 1.286 9.352 -10.474) 14.100 10.026 ( -4.329 5.754 -9.590) 11.993======================= Grid point 49 (21/84) =======================q-point: ( 0.00 -0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 0.000 -15.756 8.180) 17.753 1.104 ( 0.000 15.756 8.180) 17.753 1.147 ( 0.000 -18.539 4.176) 19.004 1.147 ( 0.000 18.539 4.176) 19.004 1.932 ( 0.000 -26.304 25.790) 36.838 1.932 ( 0.000 26.304 25.790) 36.838 2.442 ( 0.000 -9.947 -2.485) 10.253 2.442 ( 0.000 9.947 -2.485) 10.253 2.836 ( 0.000 -8.835 7.996) 11.916 2.836 ( 0.000 8.835 7.996) 11.916 3.146 ( 0.000 -10.021 6.896) 12.165 3.146 ( 0.000 10.021 6.896) 12.165 3.731 ( 0.000 -1.018 -2.326) 2.539 3.731 ( 0.000 1.018 -2.326) 2.539 3.827 ( 0.000 -2.805 8.420) 8.875 3.827 ( 0.000 2.805 8.420) 8.875 3.978 ( 0.000 -4.373 -5.069) 6.695 3.978 ( 0.000 4.373 -5.069) 6.695 4.215 ( 0.000 -1.936 -0.609) 2.029 4.215 ( 0.000 1.936 -0.609) 2.029 4.305 ( 0.000 -4.171 0.589) 4.212 4.305 ( 0.000 4.171 0.589) 4.212 5.020 ( 0.000 -5.293 -7.172) 8.914 5.020 ( 0.000 5.293 -7.172) 8.914 5.276 ( 0.000 -5.876 -3.952) 7.081 5.276 ( 0.000 5.876 -3.952) 7.081 5.539 ( 0.000 -1.024 -0.729) 1.257 5.539 ( 0.000 1.024 -0.729) 1.257 5.708 ( 0.000 -0.310 -2.628) 2.646 5.708 ( 0.000 0.310 -2.628) 2.646 5.834 ( 0.000 -5.397 -1.162) 5.520 5.834 ( 0.000 5.397 -1.162) 5.520 6.032 ( 0.000 -4.162 3.030) 5.148 6.032 ( 0.000 4.162 3.030) 5.148 6.723 ( 0.000 -4.576 7.694) 8.952 6.723 ( 0.000 4.576 7.694) 8.952 7.231 ( 0.000 -0.240 27.066) 27.067 7.231 ( 0.000 0.240 27.066) 27.067 8.309 ( 0.000 -8.213 -14.639) 16.785 8.309 ( 0.000 8.213 -14.639) 16.785 10.350 ( 0.000 -4.291 -11.943) 12.690 10.350 ( 0.000 4.291 -11.943) 12.690======================= Grid point 51 (22/84) =======================q-point: ( 0.14 -0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( 2.174 -18.455 7.241) 19.943 1.055 ( 2.174 18.455 7.241) 19.943 1.344 ( 10.934 -19.539 10.918) 24.911 1.344 ( 10.934 19.539 10.918) 24.911 2.084 ( 13.501 -20.238 16.370) 29.323 2.084 ( 13.501 20.238 16.370) 29.323 2.304 ( -10.504 -9.549 1.514) 14.276 2.304 ( -10.504 9.549 1.514) 14.276 2.841 ( 0.647 -7.825 8.371) 11.477 2.841 ( 0.647 7.825 8.371) 11.477 3.145 ( -4.116 -3.324 3.069) 6.116 3.145 ( -4.116 3.324 3.069) 6.116 3.626 ( -5.021 -5.240 -1.938) 7.511 3.626 ( -5.021 5.240 -1.938) 7.511 3.799 ( -4.833 -2.813 8.102) 9.844 3.799 ( -4.833 2.813 8.102) 9.844 3.950 ( -2.903 -1.180 1.591) 3.514 3.950 ( -2.903 1.180 1.591) 3.514 4.086 ( -2.483 -4.472 1.029) 5.218 4.086 ( -2.483 4.472 1.029) 5.218 4.532 ( 12.981 -2.451 -2.687) 13.481 4.532 ( 12.981 2.451 -2.687) 13.481 4.961 ( -3.286 -0.700 1.592) 3.718 4.961 ( -3.286 0.700 1.592) 3.718 5.249 ( -3.700 -1.126 -6.314) 7.404 5.249 ( -3.700 1.126 -6.314) 7.404 5.549 ( -3.941 -3.110 -6.422) 8.152 5.549 ( -3.941 3.110 -6.422) 8.152 5.684 ( -1.454 -0.403 -1.288) 1.983 5.684 ( -1.454 0.403 -1.288) 1.983 5.898 ( 6.783 -4.471 3.752) 8.949 5.898 ( 6.783 4.471 3.752) 8.949 6.031 ( 0.942 -3.009 -2.354) 3.935 6.031 ( 0.942 3.009 -2.354) 3.935 6.708 ( -1.514 -4.663 10.265) 11.376 6.708 ( -1.514 4.663 10.265) 11.376 7.205 ( -0.949 -2.923 20.944) 21.168 7.205 ( -0.949 2.923 20.944) 21.168 8.420 ( 8.604 -13.319 -14.692) 21.617 8.420 ( 8.604 13.319 -14.692) 21.617 10.279 ( -5.755 -3.841 -11.313) 13.261 10.279 ( -5.755 3.841 -11.313) 13.261======================= Grid point 53 (23/84) =======================q-point: ( 0.29 -0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( 10.674 -10.474 8.042) 16.979 1.197 ( 10.674 10.474 8.042) 16.979 1.547 ( 8.286 -14.292 16.686) 23.481 1.547 ( 8.286 14.292 16.686) 23.481 2.059 ( -11.856 -9.140 4.549) 15.646 2.059 ( -11.856 9.140 4.549) 15.646 2.390 ( 10.434 -6.534 0.072) 12.311 2.390 ( 10.434 6.534 0.072) 12.311 2.894 ( 0.292 -7.093 2.342) 7.475 2.894 ( 0.292 7.093 2.342) 7.475 2.971 ( -2.257 -0.372 11.023) 11.258 2.971 ( -2.257 0.372 11.023) 11.258 3.562 ( -7.708 -2.476 5.758) 9.935 3.562 ( -7.708 2.476 5.758) 9.935 3.645 ( -2.394 -5.886 2.057) 6.679 3.645 ( -2.394 5.886 2.057) 6.679 3.953 ( 1.729 -0.835 8.845) 9.051 3.953 ( 1.729 0.835 8.845) 9.051 4.096 ( 2.534 -4.396 0.891) 5.151 4.096 ( 2.534 4.396 0.891) 5.151 4.726 ( -1.584 -2.568 -3.874) 4.911 4.726 ( -1.584 2.568 -3.874) 4.911 4.889 ( 1.147 -3.753 2.135) 4.467 4.889 ( 1.147 3.753 2.135) 4.467 5.201 ( 0.504 -3.158 -1.977) 3.760 5.201 ( 0.504 3.158 -1.977) 3.760 5.379 ( -8.778 -1.623 -6.538) 11.065 5.379 ( -8.778 1.623 -6.538) 11.065 5.637 ( -4.067 -1.314 9.005) 9.968 5.637 ( -4.067 1.314 9.005) 9.968 5.996 ( 2.614 -2.829 -2.497) 4.590 5.996 ( 2.614 2.829 -2.497) 4.590 6.120 ( 5.551 -3.978 -7.243) 9.955 6.120 ( 5.551 3.978 -7.243) 9.955 6.667 ( -2.094 -3.956 12.341) 13.128 6.667 ( -2.094 3.956 12.341) 13.128 7.228 ( 2.776 -2.583 11.283) 11.903 7.228 ( 2.776 2.583 11.283) 11.903 8.587 ( 6.478 -12.273 -14.822) 20.304 8.587 ( 6.478 12.273 -14.822) 20.304 10.158 ( -5.068 -3.230 -10.999) 12.534 10.158 ( -5.068 3.230 -10.999) 12.534======================= Grid point 55 (24/84) =======================q-point: ( 0.43 -0.50 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( 13.319 -5.108 7.638) 16.181 1.459 ( 13.319 5.108 7.638) 16.181 1.665 ( 1.199 -4.396 15.463) 16.121 1.665 ( 1.199 4.396 15.463) 16.121 1.811 ( -10.366 -3.263 10.683) 15.239 1.811 ( -10.366 3.263 10.683) 15.239 2.445 ( -1.918 -2.372 -7.135) 7.760 2.445 ( -1.918 2.372 -7.135) 7.760 2.791 ( -2.108 -3.993 0.598) 4.555 2.791 ( -2.108 3.993 0.598) 4.555 3.217 ( 12.894 -3.452 11.017) 17.308 3.217 ( 12.894 3.452 11.017) 17.308 3.390 ( -5.791 -2.715 11.047) 12.765 3.390 ( -5.791 2.715 11.047) 12.765 3.625 ( -1.899 -3.923 0.212) 4.364 3.625 ( -1.899 3.923 0.212) 4.364 3.982 ( 0.780 -0.176 10.362) 10.392 3.982 ( 0.780 0.176 10.362) 10.392 4.204 ( 8.620 -9.527 1.227) 12.907 4.204 ( 8.620 9.527 1.227) 12.907 4.468 ( -15.675 -7.361 1.306) 17.367 4.468 ( -15.675 7.361 1.306) 17.367 5.028 ( 6.895 -0.438 -6.397) 9.416 5.028 ( 6.895 0.438 -6.397) 9.416 5.162 ( -5.413 -1.497 -6.721) 8.759 5.162 ( -5.413 1.497 -6.721) 8.759 5.330 ( 3.780 -3.288 5.801) 7.665 5.330 ( 3.780 3.288 5.801) 7.665 5.526 ( -5.449 -1.561 10.996) 12.371 5.526 ( -5.449 1.561 10.996) 12.371 6.043 ( 1.543 -0.361 -4.537) 4.806 6.043 ( 1.543 0.361 -4.537) 4.806 6.189 ( 1.277 -1.593 -7.598) 7.868 6.189 ( 1.277 1.593 -7.598) 7.868 6.634 ( -0.888 -1.582 11.480) 11.622 6.634 ( -0.888 1.582 11.480) 11.622 7.284 ( 1.848 -1.220 6.164) 6.550 7.284 ( 1.848 1.220 6.164) 6.550 8.676 ( 2.049 -4.837 -14.566) 15.484 8.676 ( 2.049 4.837 -14.566) 15.484 10.086 ( -1.748 -1.276 -11.357) 11.561 10.086 ( -1.748 1.276 -11.357) 11.561======================= Grid point 70 (25/84) =======================q-point: ( 0.00 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( 0.000 0.000 24.841) 24.841 1.082 ( 0.000 0.000 25.644) 25.644 1.771 ( 0.000 0.000 -7.815) 7.815 1.879 ( 0.000 0.000 40.797) 40.797 1.909 ( 0.000 0.000 5.021) 5.021 2.122 ( 0.000 0.000 18.950) 18.950 2.347 ( 0.000 0.000 2.067) 2.067 2.875 ( 0.000 0.000 -2.052) 2.052 2.889 ( 0.000 0.000 16.059) 16.059 3.147 ( 0.000 0.000 -0.335) 0.335 3.275 ( 0.000 0.000 27.233) 27.233 3.359 ( 0.000 0.000 -0.360) 0.360 3.665 ( 0.000 0.000 6.542) 6.542 3.723 ( 0.000 0.000 4.400) 4.400 3.884 ( 0.000 0.000 -7.495) 7.495 3.932 ( 0.000 0.000 19.057) 19.057 3.946 ( 0.000 0.000 0.573) 0.573 3.989 ( 0.000 0.000 6.486) 6.486 4.246 ( 0.000 0.000 17.308) 17.308 4.257 ( 0.000 0.000 5.433) 5.433 4.285 ( 0.000 0.000 1.283) 1.283 4.488 ( 0.000 0.000 -0.697) 0.697 4.870 ( 0.000 0.000 -13.095) 13.095 5.065 ( 0.000 0.000 -1.479) 1.479 5.100 ( 0.000 0.000 11.839) 11.839 5.255 ( 0.000 0.000 -10.806) 10.806 5.462 ( 0.000 0.000 -5.090) 5.090 5.555 ( 0.000 0.000 1.949) 1.949 5.574 ( 0.000 0.000 -7.681) 7.681 5.619 ( 0.000 0.000 6.355) 6.355 5.832 ( 0.000 0.000 3.795) 3.795 5.978 ( 0.000 0.000 -8.008) 8.008 6.087 ( 0.000 0.000 9.385) 9.385 6.139 ( 0.000 0.000 4.071) 4.071 6.677 ( 0.000 0.000 -1.740) 1.740 6.846 ( 0.000 0.000 -2.696) 2.696 7.556 ( 0.000 0.000 -24.129) 24.129 7.665 ( 0.000 0.000 -25.495) 25.495 7.843 ( 0.000 0.000 24.923) 24.923 9.160 ( 0.000 0.000 -3.825) 3.825 9.415 ( 0.000 0.000 -8.113) 8.113 10.029 ( 0.000 0.000 -7.871) 7.871======================= Grid point 71 (26/84) =======================q-point: ( 0.14 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.137 ( 16.779 0.000 19.265) 25.547 1.173 ( 8.347 0.000 22.603) 24.095 1.728 ( -2.834 0.000 -0.710) 2.921 1.941 ( 1.645 0.000 5.321) 5.569 2.024 ( 12.995 0.000 35.150) 37.475 2.189 ( 5.615 0.000 14.454) 15.507 2.385 ( 4.438 0.000 2.789) 5.241 2.790 ( -8.777 0.000 16.808) 18.962 2.794 ( -7.298 0.000 -0.180) 7.300 3.024 ( -8.587 0.000 -0.030) 8.587 3.248 ( -9.596 0.000 0.413) 9.605 3.368 ( 6.722 0.000 24.022) 24.945 3.543 ( -1.976 0.000 11.895) 12.058 3.736 ( -12.476 0.000 -4.016) 13.106 3.840 ( -5.875 0.000 1.254) 6.007 3.888 ( 2.068 0.000 10.057) 10.268 4.033 ( 12.495 0.000 7.941) 14.805 4.053 ( 2.551 0.000 5.159) 5.755 4.228 ( 0.550 0.000 5.672) 5.699 4.276 ( 2.481 0.000 15.538) 15.735 4.417 ( 6.660 0.000 1.659) 6.864 4.628 ( 11.890 0.000 -2.222) 12.096 4.800 ( -3.666 0.000 -9.505) 10.187 5.095 ( -3.326 0.000 4.387) 5.505 5.108 ( 1.268 0.000 -5.810) 5.947 5.155 ( -6.624 0.000 1.959) 6.908 5.438 ( -4.715 0.000 1.275) 4.884 5.539 ( 5.763 0.000 -5.766) 8.152 5.637 ( 6.255 0.000 -6.143) 8.768 5.673 ( -4.243 0.000 2.990) 5.191 5.816 ( 2.817 0.000 -0.057) 2.818 5.992 ( 0.892 0.000 -4.383) 4.473 6.058 ( -2.748 0.000 9.247) 9.647 6.100 ( -3.694 0.000 3.165) 4.864 6.683 ( 0.490 0.000 -1.370) 1.455 6.831 ( -1.459 0.000 -2.534) 2.923 7.525 ( -2.482 0.000 -3.815) 4.551 7.621 ( -3.950 0.000 -12.010) 12.643 7.936 ( 8.111 0.000 1.564) 8.261 8.990 ( -12.797 0.000 -10.935) 16.833 9.442 ( 2.584 0.000 -8.390) 8.779 10.016 ( -2.220 0.000 -8.165) 8.461======================= Grid point 72 (27/84) =======================q-point: ( 0.29 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( 12.525 0.000 15.976) 20.300 1.487 ( 14.258 0.000 15.071) 20.747 1.707 ( 2.766 0.000 7.504) 7.998 1.934 ( -1.973 0.000 8.078) 8.315 2.214 ( -0.302 0.000 5.445) 5.453 2.426 ( 17.409 0.000 26.680) 31.857 2.529 ( 7.490 0.000 4.018) 8.499 2.556 ( -13.105 0.000 16.862) 21.356 2.684 ( 0.597 0.000 5.038) 5.073 2.844 ( -7.389 0.000 2.261) 7.728 3.033 ( -9.012 0.000 2.067) 9.246 3.441 ( -14.925 0.000 -0.312) 14.928 3.491 ( 5.010 0.000 10.089) 11.265 3.583 ( 3.333 0.000 20.345) 20.616 3.710 ( -6.497 0.000 3.678) 7.466 3.939 ( 5.371 0.000 10.394) 11.699 4.065 ( -2.530 0.000 3.078) 3.985 4.240 ( 0.718 0.000 12.016) 12.037 4.246 ( 4.834 0.000 12.371) 13.282 4.368 ( 7.886 0.000 5.329) 9.518 4.533 ( 2.179 0.000 -0.742) 2.302 4.781 ( 2.221 0.000 -7.469) 7.793 4.811 ( -1.409 0.000 -1.699) 2.207 4.979 ( -0.989 0.000 0.649) 1.182 5.044 ( -2.913 0.000 4.617) 5.459 5.084 ( -3.101 0.000 -7.855) 8.445 5.407 ( -0.930 0.000 4.570) 4.663 5.546 ( -2.317 0.000 2.494) 3.404 5.681 ( 7.678 0.000 -6.392) 9.991 5.752 ( 1.942 0.000 1.610) 2.522 5.883 ( 2.070 0.000 -4.044) 4.543 5.972 ( -5.579 0.000 9.600) 11.104 6.005 ( -4.191 0.000 -2.735) 5.004 6.013 ( 0.894 0.000 -1.560) 1.798 6.691 ( 0.174 0.000 0.184) 0.254 6.786 ( -2.723 0.000 -0.947) 2.883 7.472 ( -2.295 0.000 11.872) 12.092 7.526 ( -4.469 0.000 7.692) 8.896 8.141 ( 10.728 0.000 -22.004) 24.481 8.741 ( -10.330 0.000 -27.800) 29.657 9.519 ( 4.700 0.000 -8.788) 9.966 9.924 ( -6.241 0.000 -7.933) 10.093======================= Grid point 73 (28/84) =======================q-point: ( 0.43 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.627 ( 6.589 0.000 9.233) 11.343 1.640 ( 2.963 0.000 9.703) 10.146 1.917 ( 13.440 0.000 14.929) 20.088 1.917 ( 2.797 0.000 11.909) 12.233 2.100 ( -7.499 0.000 7.775) 10.802 2.261 ( -14.928 0.000 17.101) 22.700 2.602 ( -0.260 0.000 3.310) 3.320 2.607 ( -0.626 0.000 8.003) 8.027 2.774 ( 7.962 0.000 4.334) 9.065 2.926 ( -3.655 0.000 4.440) 5.751 2.932 ( 12.471 0.000 11.315) 16.839 3.152 ( -11.623 0.000 4.160) 12.345 3.588 ( -1.362 0.000 10.203) 10.294 3.597 ( -3.376 0.000 7.498) 8.223 3.647 ( 10.795 0.000 10.800) 15.270 3.912 ( -11.967 0.000 5.894) 13.340 4.128 ( 10.475 0.000 10.452) 14.798 4.245 ( -1.048 0.000 13.453) 13.494 4.302 ( 2.900 0.000 15.183) 15.458 4.440 ( -8.915 0.000 7.377) 11.572 4.536 ( 7.372 0.000 1.835) 7.597 4.694 ( -7.700 0.000 1.568) 7.859 4.884 ( 6.146 0.000 -6.701) 9.093 4.908 ( 0.332 0.000 -6.704) 6.712 5.012 ( -2.397 0.000 -7.387) 7.766 5.082 ( -4.295 0.000 -2.893) 5.178 5.429 ( 8.454 0.000 8.782) 12.190 5.646 ( 8.147 0.000 4.718) 9.415 5.653 ( -10.040 0.000 9.234) 13.641 5.800 ( -2.392 0.000 -3.215) 4.007 5.859 ( 0.113 0.000 5.482) 5.483 5.901 ( -0.427 0.000 -4.994) 5.012 5.978 ( 0.955 0.000 -6.729) 6.796 6.009 ( -1.358 0.000 -2.614) 2.946 6.697 ( 0.715 0.000 1.858) 1.991 6.729 ( -2.389 0.000 1.503) 2.823 7.441 ( -0.484 0.000 15.110) 15.118 7.456 ( -2.032 0.000 14.464) 14.606 8.358 ( 9.879 0.000 -33.495) 34.921 8.549 ( -8.761 0.000 -36.144) 37.191 9.635 ( 6.361 0.000 -8.648) 10.736 9.779 ( -7.289 0.000 -8.106) 10.901======================= Grid point 77 (29/84) =======================q-point: ( 0.00 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( 0.000 11.494 21.331) 24.231 1.080 ( 0.000 2.844 21.066) 21.257 1.585 ( 0.000 -14.473 -1.864) 14.593 1.696 ( 0.000 -14.032 11.106) 17.895 2.134 ( 0.000 18.382 37.879) 42.104 2.263 ( 0.000 9.296 9.429) 13.241 2.427 ( 0.000 4.295 -1.407) 4.519 2.794 ( 0.000 -2.729 11.392) 11.714 2.907 ( 0.000 -5.989 11.122) 12.632 3.059 ( 0.000 -7.398 -0.757) 7.437 3.275 ( 0.000 3.782 23.384) 23.688 3.457 ( 0.000 4.723 -0.986) 4.825 3.708 ( 0.000 -0.643 2.401) 2.486 3.738 ( 0.000 7.755 5.269) 9.376 3.834 ( 0.000 -7.370 15.274) 16.959 3.943 ( 0.000 5.036 -6.019) 7.848 3.958 ( 0.000 0.115 1.352) 1.357 4.010 ( 0.000 1.984 6.904) 7.183 4.179 ( 0.000 -5.186 11.636) 12.739 4.268 ( 0.000 0.980 4.563) 4.667 4.276 ( 0.000 -2.478 2.979) 3.875 4.388 ( 0.000 -6.990 -4.513) 8.321 4.947 ( 0.000 5.350 -5.561) 7.717 5.058 ( 0.000 0.032 5.871) 5.871 5.132 ( 0.000 1.716 1.675) 2.398 5.227 ( 0.000 -2.432 -9.076) 9.396 5.482 ( 0.000 1.508 -4.306) 4.562 5.535 ( 0.000 -1.889 -3.755) 4.203 5.591 ( 0.000 3.233 0.884) 3.352 5.659 ( 0.000 1.913 2.845) 3.429 5.804 ( 0.000 -1.941 3.555) 4.050 5.893 ( 0.000 -5.959 -6.044) 8.487 6.115 ( 0.000 2.202 8.262) 8.551 6.171 ( 0.000 1.154 4.149) 4.307 6.697 ( 0.000 1.843 -1.406) 2.318 6.816 ( 0.000 -2.647 -2.300) 3.507 7.562 ( 0.000 1.130 -16.748) 16.787 7.692 ( 0.000 -0.165 -18.599) 18.600 7.843 ( 0.000 3.133 17.292) 17.574 8.528 ( 0.000 -29.747 6.594) 30.469 9.891 ( 0.000 17.233 -16.760) 24.039 10.059 ( 0.000 2.245 -9.424) 9.687======================= Grid point 78 (30/84) =======================q-point: ( 0.14 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 8.283 1.068 21.317) 22.894 1.268 ( 15.233 10.605 15.973) 24.488 1.545 ( -0.356 -13.124 4.626) 13.919 1.872 ( 12.497 -11.804 5.655) 18.096 2.150 ( -7.688 6.295 10.426) 14.402 2.246 ( 10.052 14.968 33.771) 38.282 2.450 ( -0.260 0.058 0.979) 1.015 2.774 ( -4.520 -0.491 18.663) 19.208 2.793 ( -7.252 0.154 0.037) 7.254 2.990 ( -4.621 -4.002 1.937) 6.412 3.320 ( -6.740 2.293 10.392) 12.597 3.393 ( 4.469 3.502 12.677) 13.890 3.543 ( -7.314 0.904 8.661) 11.372 3.744 ( -5.142 -1.048 -2.628) 5.869 3.817 ( -5.686 1.099 6.727) 8.877 3.916 ( -3.770 1.835 5.592) 6.989 3.985 ( 9.567 -2.190 4.768) 10.911 4.050 ( 2.643 -0.966 5.396) 6.085 4.187 ( 0.991 -3.844 7.651) 8.619 4.236 ( 1.165 -3.032 9.452) 9.995 4.443 ( 8.713 1.361 1.450) 8.937 4.529 ( 11.234 -5.131 -4.937) 13.300 4.909 ( -1.757 6.850 -3.678) 7.971 5.099 ( -1.757 -0.187 6.007) 6.262 5.116 ( -1.822 0.723 -4.451) 4.863 5.169 ( -1.236 0.125 -1.070) 1.640 5.420 ( -8.406 0.043 -0.427) 8.417 5.545 ( 2.841 -0.657 -2.430) 3.795 5.623 ( 5.490 -0.450 -3.763) 6.671 5.647 ( -3.593 -2.126 -0.658) 4.226 5.841 ( 5.492 2.100 -0.769) 5.930 5.951 ( 3.395 -2.882 -3.040) 5.392 6.079 ( -3.291 1.567 7.899) 8.699 6.115 ( -4.915 0.624 4.181) 6.483 6.707 ( 0.729 2.037 -1.080) 2.418 6.810 ( -0.703 -1.915 -2.227) 3.020 7.530 ( -2.481 1.218 0.723) 2.857 7.653 ( -3.520 0.696 -8.266) 9.011 7.925 ( 7.044 1.396 -0.857) 7.232 8.516 ( -1.079 -25.558 -5.004) 26.066 9.804 ( -5.945 16.479 -14.868) 22.977 10.037 ( -2.995 1.217 -10.021) 10.530======================= Grid point 79 (31/84) =======================q-point: ( 0.29 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.373 ( 12.639 -0.720 16.646) 20.913 1.567 ( 7.784 1.039 11.250) 13.720 1.635 ( 13.039 -0.010 11.481) 17.373 1.994 ( -6.195 5.149 10.486) 13.223 2.127 ( 8.578 -8.258 6.456) 13.545 2.368 ( -4.238 -10.642 4.112) 12.170 2.487 ( 6.520 4.612 21.066) 22.529 2.547 ( -11.300 -0.505 13.579) 17.673 2.780 ( 1.180 7.320 5.874) 9.459 2.876 ( -3.175 2.461 1.496) 4.286 3.166 ( -4.601 7.174 6.621) 10.792 3.365 ( -6.806 -4.097 7.797) 11.131 3.546 ( 3.632 4.828 6.687) 9.013 3.656 ( -1.423 3.784 12.005) 12.668 3.715 ( -4.841 0.289 6.231) 7.896 3.871 ( 1.392 -5.005 9.433) 10.769 4.054 ( -0.664 -0.804 3.327) 3.486 4.177 ( 5.362 -4.751 6.560) 9.713 4.223 ( 3.068 -1.789 11.256) 11.803 4.289 ( 4.389 -4.967 8.254) 10.586 4.600 ( 3.526 3.934 -0.333) 5.293 4.718 ( 4.490 -3.343 -3.932) 6.841 4.839 ( -4.369 2.677 -0.482) 5.147 4.982 ( -7.503 -2.052 -2.780) 8.261 5.084 ( 1.883 4.089 3.410) 5.648 5.167 ( -4.032 6.730 -3.863) 8.745 5.326 ( 0.899 -6.348 3.790) 7.447 5.465 ( -2.524 -5.680 2.087) 6.556 5.720 ( 5.794 1.366 -2.907) 6.625 5.755 ( 5.581 -0.069 0.009) 5.581 5.901 ( -2.959 2.468 -1.136) 4.017 5.988 ( -4.629 0.440 3.851) 6.037 6.004 ( 0.976 0.503 -2.798) 3.006 6.024 ( -0.874 0.439 -0.192) 0.997 6.717 ( 0.091 2.066 0.048) 2.069 6.782 ( -1.889 -0.501 -1.258) 2.324 7.482 ( -1.729 1.749 13.960) 14.175 7.567 ( -4.097 2.131 8.189) 9.401 8.099 ( 8.987 -1.965 -20.808) 22.751 8.480 ( -2.529 -17.453 -23.716) 29.554 9.715 ( -1.976 12.012 -13.285) 18.019 9.937 ( -6.067 0.435 -9.978) 11.686======================= Grid point 80 (32/84) =======================q-point: ( 0.43 0.25 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( 9.614 0.740 11.807) 15.244 1.712 ( 4.761 3.961 8.880) 10.827 1.842 ( 2.809 -3.559 13.147) 13.907 1.966 ( 4.063 1.593 14.146) 14.803 2.088 ( -3.896 0.379 11.085) 11.756 2.293 ( -12.825 1.747 18.499) 22.578 2.401 ( 4.809 -12.147 3.390) 13.497 2.494 ( -4.091 -6.762 5.125) 9.419 2.768 ( 3.300 0.457 2.202) 3.994 2.893 ( -4.864 -2.562 3.697) 6.625 3.195 ( 7.247 14.323 8.856) 18.333 3.288 ( -1.420 11.457 6.596) 13.296 3.593 ( 0.551 -0.444 3.361) 3.435 3.622 ( -2.673 1.977 11.678) 12.142 3.661 ( 4.550 1.079 12.048) 12.924 3.845 ( -8.011 -6.489 6.656) 12.272 4.137 ( 9.212 1.402 9.322) 13.180 4.226 ( 0.178 -1.498 11.045) 11.148 4.287 ( 3.866 -1.277 13.908) 14.491 4.420 ( 5.886 -5.350 3.438) 8.665 4.482 ( -9.517 0.055 6.538) 11.546 4.625 ( -9.863 -4.508 1.814) 10.995 4.900 ( 5.473 1.132 -5.155) 7.604 4.933 ( 4.057 0.577 -2.935) 5.041 5.016 ( -5.009 0.832 -5.621) 7.575 5.081 ( -6.943 -0.618 -2.936) 7.564 5.431 ( 10.078 0.741 8.082) 12.940 5.552 ( 5.201 -4.451 5.897) 9.035 5.700 ( -5.878 1.221 7.640) 9.717 5.767 ( -6.742 -2.765 4.410) 8.518 5.884 ( 4.889 3.268 -4.814) 7.600 5.933 ( -0.361 1.266 -1.867) 2.285 6.015 ( 0.014 2.165 -7.696) 7.995 6.024 ( -0.656 1.172 -4.324) 4.528 6.718 ( 0.369 1.643 1.086) 2.004 6.741 ( -1.775 0.786 0.519) 2.010 7.468 ( 0.404 2.668 15.871) 16.099 7.498 ( -2.451 3.003 14.382) 14.895 8.275 ( 7.559 -5.990 -30.565) 32.050 8.405 ( -4.886 -10.799 -32.267) 34.375 9.723 ( 2.584 6.196 -11.900) 13.663 9.811 ( -5.525 2.081 -10.630) 12.159======================= Grid point 84 (33/84) =======================q-point: ( 0.00 -0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( 0.000 -12.171 8.590) 14.897 1.259 ( 0.000 12.171 8.590) 14.897 1.369 ( 0.000 -14.649 15.574) 21.381 1.369 ( 0.000 14.649 15.574) 21.381 2.425 ( 0.000 -4.791 1.588) 5.047 2.425 ( 0.000 4.791 1.588) 5.047 2.559 ( 0.000 -19.392 33.010) 38.285 2.559 ( 0.000 19.392 33.010) 38.285 2.890 ( 0.000 -6.794 -0.546) 6.816 2.890 ( 0.000 6.794 -0.546) 6.816 3.426 ( 0.000 -7.133 14.069) 15.774 3.426 ( 0.000 7.133 14.069) 15.774 3.717 ( 0.000 -2.235 3.433) 4.096 3.717 ( 0.000 2.235 3.433) 4.096 3.913 ( 0.000 -5.342 1.895) 5.668 3.913 ( 0.000 5.342 1.895) 5.668 4.058 ( 0.000 -5.457 8.167) 9.822 4.058 ( 0.000 5.457 8.167) 9.822 4.126 ( 0.000 -9.347 -6.222) 11.229 4.126 ( 0.000 9.347 -6.222) 11.229 4.299 ( 0.000 -2.038 2.456) 3.192 4.299 ( 0.000 2.038 2.456) 3.192 5.040 ( 0.000 -2.636 4.506) 5.221 5.040 ( 0.000 2.636 4.506) 5.221 5.170 ( 0.000 -2.404 -5.942) 6.409 5.170 ( 0.000 2.404 -5.942) 6.409 5.508 ( 0.000 -0.929 -3.263) 3.393 5.508 ( 0.000 0.929 -3.263) 3.393 5.665 ( 0.000 -2.208 1.316) 2.571 5.665 ( 0.000 2.208 1.316) 2.571 5.791 ( 0.000 -2.104 -1.115) 2.382 5.791 ( 0.000 2.104 -1.115) 2.382 6.162 ( 0.000 -1.806 6.314) 6.568 6.162 ( 0.000 1.806 6.314) 6.568 6.751 ( 0.000 -3.067 -1.358) 3.354 6.751 ( 0.000 3.067 -1.358) 3.354 7.621 ( 0.000 -4.262 -6.517) 7.787 7.621 ( 0.000 4.262 -6.517) 7.787 8.052 ( 0.000 -15.785 3.580) 16.186 8.052 ( 0.000 15.785 3.580) 16.186 10.077 ( 0.000 -2.131 -13.724) 13.888 10.077 ( 0.000 2.131 -13.724) 13.888======================= Grid point 86 (34/84) =======================q-point: ( 0.14 -0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( 3.944 -10.655 12.896) 17.187 1.272 ( 3.944 10.655 12.896) 17.187 1.559 ( 14.026 -15.501 11.245) 23.737 1.559 ( 14.026 15.501 11.245) 23.737 2.322 ( -7.469 -7.842 5.568) 12.177 2.322 ( -7.469 7.842 5.568) 12.177 2.610 ( 1.996 -13.915 26.769) 30.236 2.610 ( 1.996 13.915 26.769) 30.236 2.878 ( -0.607 -5.210 -1.024) 5.345 2.878 ( -0.607 5.210 -1.024) 5.345 3.382 ( -5.603 -3.479 13.288) 14.835 3.382 ( -5.603 3.479 13.288) 14.835 3.632 ( -2.346 -6.762 3.721) 8.067 3.632 ( -2.346 6.762 3.721) 8.067 3.927 ( -7.521 -4.061 2.760) 8.982 3.927 ( -7.521 4.061 2.760) 8.982 3.992 ( 3.402 -4.147 4.075) 6.736 3.992 ( 3.402 4.147 4.075) 6.736 4.153 ( 2.620 -2.578 5.710) 6.790 4.153 ( 2.620 2.578 5.710) 6.790 4.467 ( 11.343 -1.294 -1.056) 11.465 4.467 ( 11.343 1.294 -1.056) 11.465 5.044 ( -1.994 -5.242 1.516) 5.810 5.044 ( -1.994 5.242 1.516) 5.810 5.142 ( -0.248 -1.635 -2.027) 2.616 5.142 ( -0.248 1.635 -2.027) 2.616 5.479 ( -7.435 -4.499 0.546) 8.707 5.479 ( -7.435 4.499 0.546) 8.707 5.623 ( 3.747 -0.299 -4.138) 5.590 5.623 ( 3.747 0.299 -4.138) 5.590 5.892 ( 5.912 -2.589 -1.560) 6.640 5.892 ( 5.912 2.589 -1.560) 6.640 6.110 ( -4.540 -1.047 6.203) 7.758 6.110 ( -4.540 1.047 6.203) 7.758 6.759 ( 0.490 -2.613 -1.317) 2.967 6.759 ( 0.490 2.613 -1.317) 2.967 7.594 ( -2.239 -4.445 3.316) 5.981 7.594 ( -2.239 4.445 3.316) 5.981 8.094 ( 3.497 -14.238 -7.828) 16.620 8.094 ( 3.497 14.238 -7.828) 16.620 10.016 ( -5.160 -4.441 -13.372) 15.005 10.016 ( -5.160 4.441 -13.372) 15.005======================= Grid point 88 (35/84) =======================q-point: ( 0.29 -0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( 10.305 -6.109 13.679) 18.183 1.427 ( 10.305 6.109 13.679) 18.183 1.857 ( 12.816 -13.490 12.298) 22.304 1.857 ( 12.816 13.490 12.298) 22.304 2.165 ( -6.993 -8.616 6.722) 12.974 2.165 ( -6.993 8.616 6.722) 12.974 2.547 ( -7.449 -0.534 12.289) 14.380 2.547 ( -7.449 0.534 12.289) 14.380 2.893 ( -0.656 -2.061 3.666) 4.256 2.893 ( -0.656 2.061 3.666) 4.256 3.281 ( 0.729 -4.676 12.405) 13.277 3.281 ( 0.729 4.676 12.405) 13.277 3.646 ( 1.165 -3.717 3.683) 5.361 3.646 ( 1.165 3.717 3.683) 5.361 3.773 ( -6.045 -4.423 9.866) 12.388 3.773 ( -6.045 4.423 9.866) 12.388 4.078 ( 4.778 -3.740 3.917) 7.222 4.078 ( 4.778 3.740 3.917) 7.222 4.212 ( 2.782 -1.528 9.334) 9.859 4.212 ( 2.782 1.528 9.334) 9.859 4.664 ( 4.985 -2.245 -1.089) 5.575 4.664 ( 4.985 2.245 -1.089) 5.575 4.916 ( -7.072 -3.921 -0.597) 8.108 4.916 ( -7.072 3.921 -0.597) 8.108 5.183 ( -1.997 -5.486 1.344) 5.991 5.183 ( -1.997 5.486 1.344) 5.991 5.329 ( -0.232 -7.000 1.310) 7.125 5.329 ( -0.232 7.000 1.310) 7.125 5.741 ( 4.822 -0.921 -0.363) 4.922 5.741 ( 4.822 0.921 -0.363) 4.922 5.964 ( -2.194 -2.481 -2.822) 4.351 5.964 ( -2.194 2.481 -2.822) 4.351 6.023 ( -0.167 -0.600 1.134) 1.294 6.023 ( -0.167 0.600 1.134) 1.294 6.760 ( -0.480 -1.675 -0.838) 1.933 6.760 ( -0.480 1.675 -0.838) 1.933 7.549 ( -1.762 -3.582 13.682) 14.252 7.549 ( -1.762 3.582 13.682) 14.252 8.172 ( 3.526 -9.921 -22.653) 24.981 8.172 ( 3.526 9.921 -22.653) 24.981 9.899 ( -5.295 -4.875 -13.162) 15.001 9.899 ( -5.295 4.875 -13.162) 15.001======================= Grid point 90 (36/84) =======================q-point: ( 0.43 -0.50 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 12.569 -4.271 12.684) 18.360 1.672 ( 12.569 4.271 12.684) 18.360 1.913 ( -9.003 -6.400 12.184) 16.446 1.913 ( -9.003 6.400 12.184) 16.446 2.166 ( 7.957 -6.940 14.709) 18.106 2.166 ( 7.957 6.940 14.709) 18.106 2.376 ( -7.874 -4.209 4.538) 10.015 2.376 ( -7.874 4.209 4.538) 10.015 2.812 ( -3.919 -3.680 2.228) 5.819 2.812 ( -3.919 3.680 2.228) 5.819 3.432 ( 9.622 -4.608 7.904) 13.277 3.432 ( 9.622 4.608 7.904) 13.277 3.613 ( -3.896 -5.132 5.486) 8.462 3.613 ( -3.896 5.132 5.486) 8.462 3.692 ( -2.378 -3.375 11.318) 12.048 3.692 ( -2.378 3.375 11.318) 12.048 4.189 ( 3.832 -2.386 7.799) 9.011 4.189 ( 3.832 2.386 7.799) 9.011 4.293 ( 7.405 -3.569 8.417) 11.765 4.293 ( 7.405 3.569 8.417) 11.765 4.537 ( -13.117 -3.704 5.694) 14.772 4.537 ( -13.117 3.704 5.694) 14.772 4.922 ( 5.279 -0.985 -3.199) 6.250 4.922 ( 5.279 0.985 -3.199) 6.250 5.049 ( -6.841 -1.965 -2.373) 7.503 5.049 ( -6.841 1.965 -2.373) 7.503 5.472 ( 8.575 -2.998 6.498) 11.169 5.472 ( 8.575 2.998 6.498) 11.169 5.723 ( -6.002 -1.345 6.284) 8.793 5.723 ( -6.002 1.345 6.284) 8.793 5.937 ( 1.485 -1.133 -4.083) 4.490 5.937 ( 1.485 1.133 -4.083) 4.490 6.040 ( 0.047 -0.169 -6.810) 6.812 6.040 ( 0.047 0.169 -6.810) 6.812 6.746 ( -0.541 -0.576 -0.084) 0.795 6.746 ( -0.541 0.576 -0.084) 0.795 7.526 ( -0.441 -1.402 15.866) 15.934 7.526 ( -0.441 1.402 15.866) 15.934 8.225 ( 1.356 -3.574 -29.271) 29.519 8.225 ( 1.356 3.574 -29.271) 29.519 9.819 ( -2.047 -2.028 -13.361) 13.669 9.819 ( -2.047 2.028 -13.361) 13.669======================= Grid point 105 (37/84) =======================q-point: ( 0.00 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.436 ( 0.000 0.000 24.555) 24.555 1.573 ( 0.000 0.000 22.284) 22.284 1.632 ( 0.000 0.000 -5.333) 5.333 2.086 ( 0.000 0.000 12.716) 12.716 2.368 ( 0.000 0.000 2.020) 2.020 2.491 ( 0.000 0.000 21.798) 21.798 2.610 ( 0.000 0.000 21.109) 21.109 2.849 ( 0.000 0.000 -0.166) 0.166 3.201 ( 0.000 0.000 11.492) 11.492 3.240 ( 0.000 0.000 15.222) 15.222 3.348 ( 0.000 0.000 -0.998) 0.998 3.632 ( 0.000 0.000 6.356) 6.356 3.714 ( 0.000 0.000 0.790) 0.790 3.715 ( 0.000 0.000 -7.395) 7.395 3.949 ( 0.000 0.000 -1.129) 1.129 4.016 ( 0.000 0.000 -3.220) 3.220 4.040 ( 0.000 0.000 27.241) 27.241 4.273 ( 0.000 0.000 -5.453) 5.453 4.372 ( 0.000 0.000 -5.446) 5.446 4.454 ( 0.000 0.000 27.294) 27.294 4.469 ( 0.000 0.000 12.863) 12.863 4.577 ( 0.000 0.000 14.029) 14.029 4.616 ( 0.000 0.000 -11.651) 11.651 5.073 ( 0.000 0.000 3.362) 3.362 5.126 ( 0.000 0.000 -1.745) 1.745 5.257 ( 0.000 0.000 0.892) 0.892 5.349 ( 0.000 0.000 -5.654) 5.654 5.385 ( 0.000 0.000 -10.897) 10.897 5.688 ( 0.000 0.000 8.931) 8.931 5.758 ( 0.000 0.000 6.263) 6.263 5.871 ( 0.000 0.000 0.651) 0.651 5.944 ( 0.000 0.000 7.441) 7.441 6.187 ( 0.000 0.000 0.190) 0.190 6.228 ( 0.000 0.000 4.056) 4.056 6.631 ( 0.000 0.000 -2.220) 2.220 6.790 ( 0.000 0.000 -2.599) 2.599 6.987 ( 0.000 0.000 -30.611) 30.611 7.084 ( 0.000 0.000 -30.269) 30.269 8.279 ( 0.000 0.000 17.486) 17.486 9.058 ( 0.000 0.000 -6.226) 6.226 9.258 ( 0.000 0.000 -7.011) 7.011 9.872 ( 0.000 0.000 -7.307) 7.307======================= Grid point 106 (38/84) =======================q-point: ( 0.14 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( 10.870 0.000 21.791) 24.352 1.621 ( 4.466 0.000 20.986) 21.456 1.667 ( 3.302 0.000 -3.887) 5.100 2.125 ( 2.713 0.000 12.876) 13.159 2.421 ( 5.435 0.000 2.906) 6.164 2.481 ( -1.563 0.000 18.761) 18.826 2.687 ( 6.278 0.000 14.497) 15.798 2.830 ( -1.025 0.000 6.106) 6.192 3.103 ( -5.785 0.000 14.482) 15.595 3.109 ( -10.323 0.000 9.344) 13.924 3.300 ( -6.264 0.000 5.994) 8.670 3.619 ( -7.969 0.000 -6.041) 10.000 3.630 ( -3.226 0.000 1.911) 3.750 3.785 ( 8.869 0.000 10.877) 14.034 3.832 ( -4.753 0.000 -1.949) 5.137 4.102 ( 1.881 0.000 -0.865) 2.071 4.161 ( 8.465 0.000 19.962) 21.683 4.296 ( 1.679 0.000 1.023) 1.966 4.385 ( -4.358 0.000 17.291) 17.831 4.434 ( 7.405 0.000 -8.114) 10.985 4.590 ( 0.605 0.000 12.744) 12.759 4.596 ( 8.657 0.000 8.075) 11.838 4.633 ( 1.963 0.000 -1.305) 2.357 5.043 ( -2.721 0.000 0.321) 2.740 5.100 ( -1.849 0.000 0.613) 1.948 5.251 ( -0.730 0.000 1.387) 1.567 5.397 ( 4.318 0.000 -8.562) 9.589 5.494 ( 9.159 0.000 -6.836) 11.429 5.559 ( -8.561 0.000 6.241) 10.594 5.764 ( -5.710 0.000 7.106) 9.115 5.842 ( 2.350 0.000 4.757) 5.306 5.984 ( 2.042 0.000 3.360) 3.932 6.141 ( -4.316 0.000 0.502) 4.345 6.205 ( -2.222 0.000 4.568) 5.080 6.636 ( 0.558 0.000 -2.695) 2.752 6.775 ( -1.350 0.000 -2.763) 3.075 7.068 ( 7.237 0.000 -30.652) 31.495 7.155 ( 6.407 0.000 -29.548) 30.235 8.210 ( -6.359 0.000 15.552) 16.802 8.853 ( -17.966 0.000 -4.699) 18.570 9.282 ( 2.328 0.000 -7.078) 7.451 9.853 ( -2.342 0.000 -7.646) 7.997======================= Grid point 107 (39/84) =======================q-point: ( 0.29 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.744 ( 6.742 0.000 17.355) 18.619 1.744 ( 5.271 0.000 5.695) 7.760 1.854 ( 15.029 0.000 12.007) 19.236 2.169 ( 1.522 0.000 14.607) 14.686 2.406 ( -5.278 0.000 12.769) 13.817 2.562 ( 5.739 0.000 3.873) 6.923 2.775 ( 1.050 0.000 2.675) 2.874 2.832 ( -0.316 0.000 10.069) 10.074 2.859 ( -12.953 0.000 6.755) 14.609 3.099 ( 7.409 0.000 25.706) 26.752 3.143 ( -6.147 0.000 8.607) 10.577 3.418 ( -10.614 0.000 -1.679) 10.746 3.597 ( 0.689 0.000 1.681) 1.816 3.763 ( -2.211 0.000 2.457) 3.306 3.937 ( 3.276 0.000 13.167) 13.568 4.108 ( -1.941 0.000 1.187) 2.275 4.219 ( 0.136 0.000 10.757) 10.758 4.341 ( 2.893 0.000 -2.415) 3.768 4.455 ( 9.543 0.000 11.689) 15.090 4.579 ( 4.601 0.000 -1.257) 4.769 4.596 ( 0.544 0.000 10.524) 10.538 4.707 ( 5.112 0.000 5.505) 7.512 4.739 ( 3.580 0.000 3.804) 5.224 4.969 ( -3.976 0.000 -1.606) 4.288 5.064 ( -4.086 0.000 5.063) 6.506 5.198 ( -3.160 0.000 9.324) 9.844 5.449 ( 0.614 0.000 -6.115) 6.145 5.510 ( 5.651 0.000 -10.419) 11.853 5.617 ( -6.512 0.000 9.629) 11.624 5.697 ( 9.373 0.000 -4.631) 10.454 5.895 ( 2.292 0.000 5.467) 5.928 6.009 ( 0.107 0.000 0.913) 0.919 6.014 ( -7.767 0.000 1.733) 7.958 6.133 ( -4.595 0.000 5.863) 7.449 6.652 ( 0.896 0.000 -2.805) 2.945 6.739 ( -1.971 0.000 -3.022) 3.608 7.266 ( 11.515 0.000 -31.146) 33.206 7.327 ( 9.690 0.000 -26.821) 28.517 8.032 ( -10.249 0.000 10.547) 14.706 8.404 ( -23.246 0.000 -4.519) 23.681 9.355 ( 4.602 0.000 -7.210) 8.553 9.764 ( -6.045 0.000 -7.642) 9.744======================= Grid point 108 (40/84) =======================q-point: ( 0.43 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.848 ( 4.058 0.000 9.529) 10.357 1.863 ( 3.359 0.000 13.180) 13.601 2.165 ( 12.528 0.000 10.734) 16.497 2.197 ( 1.629 0.000 15.098) 15.185 2.306 ( -1.808 0.000 12.171) 12.305 2.511 ( -12.416 0.000 9.572) 15.677 2.672 ( -1.752 0.000 2.161) 2.782 2.706 ( -4.212 0.000 3.573) 5.523 2.912 ( 6.797 0.000 8.677) 11.023 3.061 ( -5.428 0.000 7.498) 9.257 3.257 ( 3.739 0.000 17.448) 17.845 3.264 ( -1.312 0.000 6.363) 6.497 3.663 ( 4.919 0.000 2.142) 5.365 3.728 ( -1.501 0.000 6.376) 6.550 3.926 ( -0.378 0.000 11.987) 11.993 4.012 ( -6.588 0.000 4.148) 7.785 4.305 ( 5.767 0.000 3.144) 6.568 4.379 ( -0.526 0.000 -2.247) 2.308 4.598 ( 2.512 0.000 10.676) 10.968 4.621 ( 0.076 0.000 5.200) 5.200 4.656 ( 6.467 0.000 8.988) 11.072 4.761 ( -0.467 0.000 4.623) 4.646 4.815 ( 1.441 0.000 3.148) 3.462 4.871 ( -9.589 0.000 8.817) 13.027 4.942 ( 5.707 0.000 3.657) 6.778 5.131 ( -7.774 0.000 7.161) 10.569 5.532 ( 5.358 0.000 -10.919) 12.163 5.588 ( 0.869 0.000 -12.793) 12.822 5.613 ( 7.149 0.000 7.242) 10.176 5.817 ( -9.515 0.000 5.809) 11.148 5.867 ( 5.320 0.000 -3.811) 6.544 5.935 ( 0.930 0.000 4.443) 4.539 5.986 ( -1.506 0.000 1.543) 2.156 6.031 ( -4.609 0.000 7.415) 8.731 6.671 ( 1.038 0.000 -2.852) 3.035 6.700 ( -1.708 0.000 -3.072) 3.515 7.536 ( 13.629 0.000 -35.455) 37.985 7.539 ( 10.117 0.000 -25.120) 27.081 7.813 ( -9.537 0.000 9.331) 13.342 7.947 ( -19.516 0.000 -4.229) 19.969 9.472 ( 6.551 0.000 -7.320) 9.823 9.619 ( -7.415 0.000 -7.441) 10.505======================= Grid point 112 (41/84) =======================q-point: ( 0.00 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 0.000 4.014 17.304) 17.764 1.506 ( 0.000 -4.352 20.298) 20.759 1.578 ( 0.000 -2.029 5.836) 6.179 1.955 ( 0.000 -9.901 14.659) 17.689 2.412 ( 0.000 3.623 0.860) 3.723 2.512 ( 0.000 0.215 13.495) 13.496 2.767 ( 0.000 11.444 16.892) 20.403 2.847 ( 0.000 0.323 1.758) 1.787 3.143 ( 0.000 -3.104 16.784) 17.068 3.292 ( 0.000 2.407 16.211) 16.388 3.431 ( 0.000 6.456 -1.258) 6.577 3.607 ( 0.000 -2.212 6.912) 7.257 3.720 ( 0.000 2.116 -2.938) 3.620 3.801 ( 0.000 5.489 -3.841) 6.699 3.850 ( 0.000 -5.746 7.170) 9.188 4.041 ( 0.000 2.469 -2.048) 3.208 4.057 ( 0.000 -2.154 10.444) 10.664 4.217 ( 0.000 -4.402 -6.531) 7.876 4.260 ( 0.000 -5.401 3.718) 6.557 4.350 ( 0.000 -7.147 21.984) 23.116 4.474 ( 0.000 -0.627 16.169) 16.181 4.520 ( 0.000 -3.837 12.435) 13.013 4.775 ( 0.000 10.473 -10.893) 15.111 5.083 ( 0.000 0.223 0.496) 0.544 5.132 ( 0.000 0.368 -0.760) 0.845 5.191 ( 0.000 -5.206 -1.292) 5.364 5.381 ( 0.000 2.236 -5.023) 5.498 5.401 ( 0.000 1.037 -8.114) 8.180 5.708 ( 0.000 1.896 8.697) 8.901 5.780 ( 0.000 1.822 6.724) 6.966 5.834 ( 0.000 -2.651 3.104) 4.083 5.913 ( 0.000 -2.694 7.399) 7.874 6.218 ( 0.000 1.897 -0.016) 1.897 6.233 ( 0.000 0.453 2.939) 2.974 6.658 ( 0.000 2.303 -1.949) 3.017 6.768 ( 0.000 -1.936 -2.176) 2.912 7.039 ( 0.000 4.213 -30.596) 30.884 7.109 ( 0.000 1.776 -31.178) 31.229 8.258 ( 0.000 -0.816 17.143) 17.163 8.646 ( 0.000 -20.903 3.918) 21.267 9.599 ( 0.000 15.201 -12.439) 19.642 9.872 ( 0.000 -0.500 -8.734) 8.748======================= Grid point 113 (42/84) =======================q-point: ( 0.14 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.563 ( 5.522 -3.341 18.511) 19.604 1.602 ( 6.356 -3.533 4.110) 8.353 1.648 ( 8.727 5.826 18.956) 21.666 2.049 ( 7.873 -7.706 12.384) 16.575 2.375 ( -2.483 1.087 8.370) 8.798 2.528 ( 0.194 -0.458 10.128) 10.140 2.759 ( -1.245 3.746 3.851) 5.515 2.833 ( -1.823 1.498 7.807) 8.156 3.079 ( -2.880 1.802 21.725) 21.989 3.199 ( -7.843 3.831 11.859) 14.725 3.382 ( -4.848 6.617 3.428) 8.891 3.584 ( -6.478 -2.513 -0.827) 6.998 3.649 ( -3.872 1.722 -0.190) 4.242 3.782 ( 4.478 -1.421 8.406) 9.630 3.875 ( -1.799 3.352 -0.004) 3.805 4.039 ( 5.673 -3.941 6.891) 9.757 4.159 ( 1.778 0.156 5.218) 5.514 4.236 ( -2.036 -4.651 5.622) 7.575 4.309 ( 7.432 -7.523 -1.004) 10.622 4.358 ( 2.917 -3.226 16.279) 16.849 4.547 ( 4.872 -0.960 12.503) 13.453 4.616 ( 8.404 -1.027 11.326) 14.141 4.753 ( -1.387 8.841 -9.705) 13.201 5.032 ( -4.232 -1.623 -3.277) 5.593 5.135 ( 0.428 2.123 1.222) 2.487 5.213 ( 2.075 -3.100 -0.588) 3.776 5.420 ( 1.835 2.570 -5.230) 6.109 5.496 ( 7.761 0.418 -4.476) 8.970 5.577 ( -6.865 1.220 4.940) 8.545 5.719 ( -7.393 -4.052 8.483) 11.960 5.862 ( 3.126 1.985 4.237) 5.627 5.963 ( 2.334 -1.785 3.823) 4.822 6.168 ( -4.435 1.915 0.867) 4.908 6.207 ( -2.545 0.066 3.686) 4.479 6.664 ( 0.479 2.310 -2.536) 3.464 6.759 ( -0.908 -1.480 -2.528) 3.067 7.100 ( 5.740 3.042 -31.107) 31.778 7.180 ( 6.378 1.470 -30.688) 31.378 8.191 ( -6.271 -0.682 15.402) 16.643 8.548 ( -9.421 -18.054 3.867) 20.728 9.539 ( -4.306 14.263 -11.285) 18.691 9.843 ( -3.081 -1.430 -8.948) 9.571======================= Grid point 114 (43/84) =======================q-point: ( 0.29 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( 8.653 -1.634 16.252) 18.484 1.741 ( 7.770 -1.198 5.849) 9.799 1.905 ( 13.796 5.459 15.460) 21.427 2.192 ( 3.512 1.146 10.470) 11.103 2.345 ( -0.310 -4.617 13.968) 14.715 2.490 ( -3.351 -5.207 8.504) 10.519 2.723 ( -3.737 -4.243 5.856) 8.140 2.741 ( -3.369 -2.030 3.639) 5.358 2.976 ( -11.812 5.920 8.948) 15.958 3.125 ( 2.379 1.089 18.905) 19.085 3.289 ( -1.255 9.063 6.708) 11.345 3.428 ( -5.102 1.951 2.106) 5.854 3.608 ( -0.511 1.714 1.593) 2.395 3.815 ( -1.487 3.542 3.327) 5.082 3.915 ( 2.728 -2.394 9.267) 9.952 4.085 ( -1.678 -2.771 8.631) 9.219 4.206 ( 1.844 -0.500 9.003) 9.203 4.241 ( 4.896 -5.268 -0.214) 7.195 4.416 ( 5.061 -5.605 6.830) 10.183 4.478 ( 5.206 -5.018 9.457) 11.904 4.644 ( 2.645 4.205 7.347) 8.869 4.734 ( 1.561 2.231 -2.295) 3.561 4.793 ( 5.887 2.160 7.114) 9.483 4.934 ( -4.571 -2.507 -1.980) 5.577 5.163 ( 1.067 5.896 2.607) 6.534 5.238 ( -5.575 4.708 9.335) 11.849 5.343 ( 1.741 -5.669 -3.874) 7.083 5.539 ( -3.791 -3.770 0.467) 5.367 5.605 ( 2.799 2.121 0.017) 3.512 5.700 ( 9.241 -0.465 -5.393) 10.709 5.898 ( 0.232 0.636 3.954) 4.012 5.972 ( -2.690 -1.895 1.273) 3.529 6.057 ( -4.901 2.451 2.139) 5.883 6.131 ( -4.496 -0.414 5.487) 7.106 6.673 ( 0.349 1.683 -3.154) 3.592 6.732 ( -1.580 -0.708 -3.099) 3.549 7.262 ( 9.446 0.896 -31.476) 32.875 7.351 ( 9.599 0.448 -29.938) 31.443 8.016 ( -10.008 -0.213 11.201) 15.022 8.274 ( -15.947 -9.747 2.727) 18.888 9.480 ( -0.702 9.206 -9.754) 13.431 9.745 ( -6.014 -2.150 -8.779) 10.857======================= Grid point 115 (44/84) =======================q-point: ( 0.43 0.25 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.885 ( 6.333 2.466 13.301) 14.937 1.901 ( 5.654 3.554 9.026) 11.228 2.146 ( 6.090 -0.947 15.716) 16.881 2.216 ( 0.150 1.514 11.477) 11.577 2.307 ( 0.148 -0.013 10.952) 10.953 2.420 ( -4.401 -8.404 6.094) 11.276 2.617 ( -1.993 -2.928 5.595) 6.622 2.698 ( -8.541 -0.862 13.635) 16.113 2.838 ( 5.528 -1.958 5.329) 7.924 3.016 ( -9.553 -4.837 7.224) 12.916 3.368 ( 5.572 9.312 6.425) 12.611 3.438 ( 1.082 11.056 9.432) 14.573 3.630 ( 4.166 -2.155 1.567) 4.945 3.751 ( -5.108 0.451 3.903) 6.445 3.931 ( 1.362 0.593 10.976) 11.076 4.007 ( -4.919 -0.793 9.405) 10.643 4.301 ( 4.956 -0.796 2.216) 5.487 4.331 ( 2.388 -3.940 -1.009) 4.716 4.512 ( 4.432 -5.096 5.245) 8.551 4.580 ( 5.641 -4.568 13.464) 15.296 4.614 ( -4.355 0.965 4.700) 6.480 4.723 ( -5.814 -1.638 7.294) 9.470 4.872 ( 3.748 3.408 4.298) 6.644 4.938 ( 4.006 -0.419 3.762) 5.512 5.027 ( -5.018 8.134 9.270) 13.314 5.142 ( -7.634 0.878 8.253) 11.277 5.496 ( 9.274 -1.395 -8.900) 12.929 5.572 ( 7.694 -2.967 0.172) 8.248 5.644 ( -1.699 3.202 -7.196) 8.058 5.795 ( -9.525 -2.619 2.276) 10.137 5.869 ( 5.222 0.625 -2.523) 5.833 5.918 ( 0.373 -1.304 1.945) 2.371 5.999 ( -1.518 1.203 3.378) 3.894 6.037 ( -4.228 0.189 6.524) 7.776 6.681 ( 0.533 0.752 -3.296) 3.422 6.700 ( -1.328 -0.020 -3.344) 3.598 7.473 ( 10.028 -2.016 -32.373) 33.951 7.548 ( 7.009 -2.719 -36.789) 37.550 7.818 ( -6.253 2.029 13.134) 14.687 7.943 ( -14.342 -1.203 3.884) 14.907 9.512 ( 3.532 3.244 -8.874) 10.087 9.614 ( -6.024 -0.695 -8.614) 10.534======================= Grid point 119 (45/84) =======================q-point: ( 0.00 -0.50 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( 0.000 -1.413 11.420) 11.507 1.467 ( 0.000 1.413 11.420) 11.507 1.726 ( 0.000 -10.724 19.040) 21.852 1.726 ( 0.000 10.724 19.040) 21.852 2.488 ( 0.000 -2.707 3.715) 4.597 2.488 ( 0.000 2.707 3.715) 4.597 2.873 ( 0.000 -1.284 2.548) 2.853 2.873 ( 0.000 1.284 2.548) 2.853 3.219 ( 0.000 -8.597 26.806) 28.151 3.219 ( 0.000 8.597 26.806) 28.151 3.552 ( 0.000 -3.752 1.844) 4.180 3.552 ( 0.000 3.752 1.844) 4.180 3.771 ( 0.000 -2.155 0.632) 2.246 3.771 ( 0.000 2.155 0.632) 2.246 3.931 ( 0.000 -6.990 -4.213) 8.161 3.931 ( 0.000 6.990 -4.213) 8.161 4.127 ( 0.000 -5.435 -1.023) 5.531 4.127 ( 0.000 5.435 -1.023) 5.531 4.223 ( 0.000 -3.322 17.620) 17.930 4.223 ( 0.000 3.322 17.620) 17.930 4.469 ( 0.000 -0.718 12.943) 12.962 4.469 ( 0.000 0.718 12.943) 12.962 4.989 ( 0.000 -8.955 -9.164) 12.813 4.989 ( 0.000 8.955 -9.164) 12.813 5.135 ( 0.000 -0.050 1.998) 1.999 5.135 ( 0.000 0.050 1.998) 1.999 5.411 ( 0.000 -0.349 -5.902) 5.912 5.411 ( 0.000 0.349 -5.902) 5.912 5.762 ( 0.000 -2.916 7.768) 8.297 5.762 ( 0.000 2.916 7.768) 8.297 5.846 ( 0.000 -3.192 6.354) 7.111 5.846 ( 0.000 3.192 6.354) 7.111 6.240 ( 0.000 -0.104 0.984) 0.989 6.240 ( 0.000 0.104 0.984) 0.989 6.716 ( 0.000 -2.848 -1.745) 3.340 6.716 ( 0.000 2.848 -1.745) 3.340 7.116 ( 0.000 -1.904 -31.529) 31.587 7.116 ( 0.000 1.904 -31.529) 31.587 8.322 ( 0.000 -8.648 13.305) 15.869 8.322 ( 0.000 8.648 13.305) 15.869 9.817 ( 0.000 -5.653 -11.733) 13.024 9.817 ( 0.000 5.653 -11.733) 13.024======================= Grid point 121 (46/84) =======================q-point: ( 0.14 -0.50 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.532 ( 6.085 -1.250 12.057) 13.563 1.532 ( 6.085 1.250 12.057) 13.563 1.839 ( 9.874 -10.617 16.473) 21.945 1.839 ( 9.874 10.617 16.473) 21.945 2.458 ( -2.822 -5.039 7.236) 9.258 2.458 ( -2.822 5.039 7.236) 9.258 2.819 ( -4.792 -2.630 1.554) 5.683 2.819 ( -4.792 2.630 1.554) 5.683 3.191 ( -2.856 -5.175 21.445) 22.244 3.191 ( -2.856 5.175 21.445) 22.244 3.514 ( -4.550 -4.690 2.761) 7.094 3.514 ( -4.550 4.690 2.761) 7.094 3.708 ( -1.403 -4.037 2.273) 4.841 3.708 ( -1.403 4.037 2.273) 4.841 3.960 ( 1.345 -4.205 1.998) 4.846 3.960 ( 1.345 4.205 1.998) 4.846 4.171 ( 1.138 -1.261 1.327) 2.155 4.171 ( 1.138 1.261 1.327) 2.155 4.255 ( 5.082 -4.320 14.004) 15.511 4.255 ( 5.082 4.320 14.004) 15.511 4.573 ( 8.233 -2.408 10.702) 13.715 4.573 ( 8.233 2.408 10.702) 13.715 4.935 ( -4.065 -7.449 -8.320) 11.885 4.935 ( -4.065 7.449 -8.320) 11.885 5.166 ( 2.638 -1.157 0.438) 2.914 5.166 ( 2.638 1.157 0.438) 2.914 5.484 ( 5.715 -2.241 -5.055) 7.952 5.484 ( 5.715 2.241 -5.055) 7.952 5.625 ( -8.807 -3.806 8.869) 13.066 5.625 ( -8.807 3.806 8.869) 13.066 5.915 ( 2.903 -2.655 4.025) 5.628 5.915 ( 2.903 2.655 4.025) 5.628 6.200 ( -3.593 -0.907 2.101) 4.260 6.200 ( -3.593 0.907 2.101) 4.260 6.717 ( -0.052 -2.391 -2.347) 3.351 6.717 ( -0.052 2.391 -2.347) 3.351 7.172 ( 5.132 -2.606 -31.919) 32.434 7.172 ( 5.132 2.606 -31.919) 32.434 8.256 ( -6.169 -8.305 12.472) 16.205 8.256 ( -6.169 8.305 12.472) 16.205 9.764 ( -4.598 -6.778 -11.298) 13.955 9.764 ( -4.598 6.778 -11.298) 13.955======================= Grid point 123 (47/84) =======================q-point: ( 0.29 -0.50 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.707 ( 10.330 -0.995 12.667) 16.375 1.707 ( 10.330 0.995 12.667) 16.375 2.077 ( 11.456 -9.573 11.301) 18.724 2.077 ( 11.456 9.573 11.301) 18.724 2.373 ( -5.358 -5.662 13.117) 15.259 2.373 ( -5.358 5.662 13.117) 15.259 2.697 ( -5.920 -1.448 3.698) 7.129 2.697 ( -5.920 1.448 3.698) 7.129 3.086 ( -8.050 -4.136 10.648) 13.974 3.086 ( -8.050 4.136 10.648) 13.974 3.433 ( 0.195 -3.550 4.745) 5.929 3.433 ( 0.195 3.550 4.745) 5.929 3.729 ( 0.810 -8.925 4.590) 10.069 3.729 ( 0.810 8.925 4.590) 10.069 3.976 ( -0.033 -6.322 8.498) 10.591 3.976 ( -0.033 6.322 8.498) 10.591 4.197 ( 2.904 -1.023 3.649) 4.774 4.197 ( 2.904 1.023 3.649) 4.774 4.378 ( 5.397 -3.232 10.458) 12.204 4.378 ( 5.397 3.232 10.458) 12.204 4.727 ( 4.000 -2.793 6.398) 8.045 4.727 ( 4.000 2.793 6.398) 8.045 4.862 ( -1.396 -4.058 -2.594) 5.014 4.862 ( -1.396 4.058 -2.594) 5.014 5.246 ( 3.390 -3.417 -0.106) 4.814 5.246 ( 3.390 3.417 -0.106) 4.814 5.399 ( -7.028 -8.210 8.096) 13.503 5.399 ( -7.028 8.210 8.096) 13.503 5.663 ( 7.481 -2.670 -5.374) 9.590 5.663 ( 7.481 2.670 -5.374) 9.590 5.929 ( -1.907 -2.037 1.512) 3.174 5.929 ( -1.907 2.037 1.512) 3.174 6.107 ( -4.693 -1.921 4.089) 6.514 6.107 ( -4.693 1.921 4.089) 6.514 6.709 ( -0.657 -1.466 -3.291) 3.662 6.709 ( -0.657 1.466 -3.291) 3.662 7.314 ( 8.040 -3.259 -32.601) 33.736 7.314 ( 8.040 3.259 -32.601) 33.736 8.083 ( -9.850 -6.864 10.429) 15.903 8.083 ( -9.850 6.864 10.429) 15.903 9.656 ( -4.991 -6.462 -10.506) 13.306 9.656 ( -4.991 6.462 -10.506) 13.306======================= Grid point 125 (48/84) =======================q-point: ( 0.43 -0.50 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.935 ( 10.410 -1.366 11.982) 15.931 1.935 ( 10.410 1.366 11.982) 15.931 2.202 ( -5.833 -6.162 15.638) 17.792 2.202 ( -5.833 6.162 15.638) 17.792 2.285 ( 2.567 -1.269 4.623) 5.438 2.285 ( 2.567 1.269 4.623) 5.438 2.631 ( 0.110 -3.838 12.869) 13.430 2.631 ( 0.110 3.838 12.869) 13.430 2.895 ( -7.724 -5.657 5.835) 11.212 2.895 ( -7.724 5.657 5.835) 11.212 3.532 ( 7.515 -4.957 3.088) 9.518 3.532 ( 7.515 4.957 3.088) 9.518 3.681 ( -5.502 -7.417 2.515) 9.571 3.681 ( -5.502 7.417 2.515) 9.571 3.966 ( -0.495 -2.667 13.373) 13.645 3.966 ( -0.495 2.667 13.373) 13.645 4.277 ( 3.007 -0.672 -0.863) 3.199 4.277 ( 3.007 0.672 -0.863) 3.199 4.493 ( 6.590 -2.842 11.111) 13.227 4.493 ( 6.590 2.842 11.111) 13.227 4.669 ( -6.912 -3.250 6.080) 9.763 4.669 ( -6.912 3.250 6.080) 9.763 4.920 ( 4.099 -1.352 3.845) 5.781 4.920 ( 4.099 1.352 3.845) 5.781 5.140 ( -6.745 -2.156 10.786) 12.903 5.140 ( -6.745 2.156 10.786) 12.903 5.506 ( 10.794 -2.364 -4.305) 11.859 5.506 ( 10.794 2.364 -4.305) 11.859 5.720 ( -5.596 -3.876 -3.974) 7.882 5.720 ( -5.596 3.876 -3.974) 7.882 5.890 ( 1.511 -1.250 -0.975) 2.190 5.890 ( 1.511 1.250 -0.975) 2.190 6.027 ( -2.907 -1.122 5.221) 6.080 6.027 ( -2.907 1.122 5.221) 6.080 6.695 ( -0.452 -0.478 -3.672) 3.730 6.695 ( -0.452 0.478 -3.672) 3.730 7.476 ( 6.210 -2.452 -36.366) 36.974 7.476 ( 6.210 2.452 -36.366) 36.974 7.888 ( -7.187 -3.624 11.840) 14.316 7.888 ( -7.187 3.624 11.840) 14.316 9.580 ( -1.993 -2.650 -9.992) 10.528 9.580 ( -1.993 2.650 -9.992) 10.528======================= Grid point 140 (49/84) =======================q-point: ( 0.00 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( 0.000 0.000 -4.817) 4.817 1.959 ( 0.000 0.000 24.802) 24.802 1.982 ( 0.000 0.000 18.424) 18.424 2.412 ( 0.000 0.000 18.286) 18.286 2.454 ( 0.000 0.000 6.309) 6.309 2.708 ( 0.000 0.000 -2.194) 2.194 2.876 ( 0.000 0.000 2.925) 2.925 2.961 ( 0.000 0.000 21.484) 21.484 3.293 ( 0.000 0.000 -4.859) 4.859 3.445 ( 0.000 0.000 4.601) 4.601 3.624 ( 0.000 0.000 -0.994) 0.994 3.677 ( 0.000 0.000 26.631) 26.631 3.704 ( 0.000 0.000 1.616) 1.616 3.730 ( 0.000 0.000 3.253) 3.253 3.883 ( 0.000 0.000 -4.588) 4.588 3.920 ( 0.000 0.000 -5.058) 5.058 4.050 ( 0.000 0.000 -12.440) 12.440 4.361 ( 0.000 0.000 0.901) 0.901 4.373 ( 0.000 0.000 -7.380) 7.380 4.627 ( 0.000 0.000 19.960) 19.960 4.676 ( 0.000 0.000 5.349) 5.349 4.786 ( 0.000 0.000 9.636) 9.636 4.852 ( 0.000 0.000 9.217) 9.217 5.108 ( 0.000 0.000 -13.072) 13.072 5.134 ( 0.000 0.000 -13.524) 13.524 5.163 ( 0.000 0.000 4.739) 4.739 5.246 ( 0.000 0.000 -4.692) 4.692 5.307 ( 0.000 0.000 21.027) 21.027 5.862 ( 0.000 0.000 7.585) 7.585 5.887 ( 0.000 0.000 6.386) 6.386 5.988 ( 0.000 0.000 7.206) 7.206 6.129 ( 0.000 0.000 10.344) 10.344 6.141 ( 0.000 0.000 -4.479) 4.479 6.217 ( 0.000 0.000 -6.845) 6.845 6.394 ( 0.000 0.000 -24.723) 24.723 6.535 ( 0.000 0.000 -19.907) 19.907 6.599 ( 0.000 0.000 -0.798) 0.798 6.744 ( 0.000 0.000 -2.031) 2.031 8.549 ( 0.000 0.000 9.337) 9.337 8.910 ( 0.000 0.000 -8.290) 8.290 9.137 ( 0.000 0.000 -4.881) 4.881 9.739 ( 0.000 0.000 -5.736) 5.736======================= Grid point 141 (50/84) =======================q-point: ( 0.14 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 6.320 0.000 -4.235) 7.607 2.016 ( 2.945 0.000 18.049) 18.288 2.020 ( 5.613 0.000 22.648) 23.334 2.435 ( 2.159 0.000 15.378) 15.529 2.530 ( 6.752 0.000 8.860) 11.139 2.740 ( 2.367 0.000 -1.879) 3.023 2.797 ( -4.831 0.000 9.970) 11.079 3.029 ( 3.860 0.000 15.951) 16.412 3.157 ( -10.483 0.000 -2.008) 10.674 3.425 ( -4.654 0.000 3.394) 5.760 3.531 ( -6.825 0.000 -1.527) 6.994 3.567 ( -2.876 0.000 18.223) 18.449 3.668 ( -2.781 0.000 5.618) 6.269 3.793 ( -0.838 0.000 -1.161) 1.432 3.928 ( 10.986 0.000 6.449) 12.739 4.012 ( 3.120 0.000 -7.619) 8.234 4.211 ( 12.121 0.000 -9.915) 15.659 4.330 ( -3.924 0.000 -5.815) 7.015 4.331 ( -2.393 0.000 0.963) 2.580 4.636 ( 1.290 0.000 14.295) 14.353 4.778 ( 8.031 0.000 5.879) 9.953 4.778 ( -3.734 0.000 3.536) 5.142 4.844 ( 3.183 0.000 15.213) 15.542 5.061 ( -2.308 0.000 -10.669) 10.916 5.167 ( 3.081 0.000 -8.734) 9.262 5.204 ( 2.401 0.000 2.596) 3.536 5.262 ( -0.929 0.000 15.036) 15.064 5.395 ( 9.124 0.000 -1.756) 9.291 5.727 ( -9.212 0.000 9.850) 13.486 5.913 ( -1.399 0.000 5.439) 5.616 6.001 ( 1.361 0.000 8.187) 8.300 6.095 ( -2.722 0.000 7.614) 8.086 6.109 ( -2.791 0.000 -3.278) 4.305 6.224 ( 0.034 0.000 -4.008) 4.008 6.428 ( 3.526 0.000 -24.898) 25.147 6.569 ( 3.468 0.000 -23.802) 24.053 6.620 ( 1.526 0.000 -2.658) 3.065 6.725 ( -1.681 0.000 -2.599) 3.095 8.463 ( -7.941 0.000 9.064) 12.050 8.751 ( -14.177 0.000 -5.675) 15.271 9.160 ( 2.223 0.000 -4.936) 5.413 9.712 ( -2.763 0.000 -6.153) 6.745======================= Grid point 142 (51/84) =======================q-point: ( 0.29 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.754 ( 10.280 0.000 -1.892) 10.453 2.086 ( 3.304 0.000 15.917) 16.256 2.177 ( 9.127 0.000 17.289) 19.551 2.487 ( 2.285 0.000 15.184) 15.355 2.680 ( -5.246 0.000 13.417) 14.407 2.685 ( 6.456 0.000 8.083) 10.345 2.800 ( 1.684 0.000 0.720) 1.831 2.909 ( -12.804 0.000 0.422) 12.810 3.091 ( 2.206 0.000 16.136) 16.286 3.310 ( -3.856 0.000 7.558) 8.485 3.380 ( -6.815 0.000 -0.857) 6.868 3.583 ( 3.317 0.000 18.434) 18.730 3.609 ( -2.069 0.000 1.244) 2.414 3.822 ( 2.175 0.000 2.534) 3.340 4.092 ( 3.959 0.000 -4.572) 6.048 4.132 ( 7.989 0.000 1.579) 8.144 4.229 ( -5.151 0.000 0.451) 5.171 4.266 ( -3.354 0.000 -2.435) 4.145 4.430 ( 7.386 0.000 -8.928) 11.587 4.653 ( -3.341 0.000 -3.256) 4.665 4.727 ( 3.595 0.000 10.820) 11.402 4.937 ( 5.973 0.000 9.421) 11.154 4.956 ( 6.719 0.000 15.032) 16.465 5.057 ( 2.274 0.000 -10.499) 10.742 5.187 ( -2.041 0.000 18.318) 18.431 5.254 ( 2.072 0.000 2.271) 3.075 5.281 ( 3.347 0.000 -8.318) 8.966 5.509 ( -10.649 0.000 12.027) 16.064 5.609 ( 10.394 0.000 -4.706) 11.409 5.839 ( -4.560 0.000 9.984) 10.976 6.016 ( -1.693 0.000 2.003) 2.623 6.031 ( -4.718 0.000 0.136) 4.720 6.054 ( 0.286 0.000 6.245) 6.251 6.199 ( -2.395 0.000 0.201) 2.403 6.536 ( 6.102 0.000 -21.978) 22.809 6.651 ( 1.809 0.000 -11.070) 11.217 6.663 ( 1.519 0.000 -15.273) 15.348 6.696 ( 2.474 0.000 -19.173) 19.332 8.249 ( -11.510 0.000 8.849) 14.519 8.390 ( -18.594 0.000 0.160) 18.595 9.229 ( 4.354 0.000 -5.197) 6.780 9.620 ( -5.900 0.000 -6.378) 8.688======================= Grid point 143 (52/84) =======================q-point: ( 0.43 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.976 ( 10.069 0.000 2.626) 10.405 2.114 ( -2.080 0.000 10.094) 10.306 2.386 ( 10.622 0.000 11.216) 15.447 2.510 ( 0.167 0.000 15.384) 15.385 2.579 ( -3.914 0.000 14.276) 14.803 2.643 ( -11.443 0.000 2.497) 11.712 2.773 ( 2.116 0.000 10.150) 10.368 2.807 ( -0.915 0.000 6.701) 6.764 3.137 ( 2.688 0.000 13.754) 14.014 3.218 ( -5.143 0.000 8.616) 10.034 3.375 ( 5.858 0.000 5.178) 7.819 3.513 ( -5.963 0.000 6.700) 8.969 3.724 ( 7.455 0.000 4.698) 8.811 3.835 ( -2.035 0.000 3.140) 3.742 4.124 ( -0.820 0.000 7.021) 7.069 4.141 ( -2.844 0.000 5.913) 6.561 4.238 ( 1.184 0.000 -10.201) 10.269 4.241 ( 2.163 0.000 -3.658) 4.249 4.522 ( 2.441 0.000 -8.299) 8.651 4.572 ( -3.114 0.000 -7.325) 7.959 4.865 ( 8.174 0.000 10.712) 13.475 4.995 ( -1.384 0.000 11.051) 11.138 5.091 ( 3.111 0.000 11.772) 12.176 5.095 ( -0.515 0.000 4.905) 4.932 5.156 ( 2.294 0.000 14.815) 14.992 5.245 ( -2.528 0.000 -2.304) 3.420 5.333 ( 1.144 0.000 -6.913) 7.007 5.361 ( -3.197 0.000 7.715) 8.351 5.798 ( 2.147 0.000 9.657) 9.893 5.802 ( 7.646 0.000 -3.904) 8.585 5.913 ( -6.178 0.000 4.251) 7.500 5.942 ( -4.874 0.000 -2.227) 5.359 6.086 ( 2.128 0.000 5.151) 5.573 6.139 ( -2.971 0.000 3.064) 4.267 6.612 ( 1.125 0.000 -3.464) 3.642 6.633 ( -1.395 0.000 -3.252) 3.538 6.738 ( 5.717 0.000 -35.901) 36.354 6.788 ( 2.035 0.000 -37.216) 37.272 8.046 ( -6.135 0.000 9.459) 11.275 8.073 ( -9.509 0.000 7.000) 11.808 9.340 ( 6.239 0.000 -5.631) 8.404 9.481 ( -7.102 0.000 -6.092) 9.357======================= Grid point 147 (53/84) =======================q-point: ( 0.00 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.553 ( 0.000 4.364 0.058) 4.364 1.891 ( 0.000 -8.071 17.459) 19.235 2.005 ( 0.000 4.150 23.356) 23.722 2.277 ( 0.000 -8.419 15.723) 17.835 2.472 ( 0.000 2.150 5.170) 5.599 2.683 ( 0.000 -4.668 3.270) 5.699 2.917 ( 0.000 3.422 5.073) 6.119 3.003 ( 0.000 2.680 13.614) 13.875 3.377 ( 0.000 5.682 -3.396) 6.619 3.460 ( 0.000 0.619 0.890) 1.084 3.527 ( 0.000 -1.593 7.454) 7.622 3.689 ( 0.000 -1.757 2.428) 2.997 3.742 ( 0.000 2.372 2.095) 3.165 3.856 ( 0.000 -2.257 -2.720) 3.534 3.857 ( 0.000 8.945 17.512) 19.665 3.960 ( 0.000 3.860 -3.741) 5.376 4.022 ( 0.000 -1.606 -8.410) 8.562 4.266 ( 0.000 -6.718 5.295) 8.554 4.472 ( 0.000 7.343 -5.670) 9.277 4.592 ( 0.000 -5.770 4.960) 7.609 4.631 ( 0.000 -4.991 18.020) 18.698 4.745 ( 0.000 2.264 4.651) 5.173 4.834 ( 0.000 -4.363 9.496) 10.450 4.975 ( 0.000 -7.278 -9.634) 12.074 5.135 ( 0.000 -0.420 -0.107) 0.434 5.162 ( 0.000 0.280 -9.499) 9.503 5.320 ( 0.000 3.469 0.198) 3.475 5.323 ( 0.000 1.100 12.602) 12.650 5.880 ( 0.000 1.699 7.330) 7.524 5.919 ( 0.000 2.455 5.954) 6.440 5.978 ( 0.000 -0.597 8.287) 8.308 6.096 ( 0.000 -2.986 9.575) 10.030 6.170 ( 0.000 1.831 -3.897) 4.305 6.211 ( 0.000 -0.446 -5.616) 5.634 6.440 ( 0.000 3.855 -25.309) 25.601 6.535 ( 0.000 -0.123 -21.277) 21.277 6.629 ( 0.000 2.445 -1.407) 2.821 6.728 ( 0.000 -1.429 -1.857) 2.343 8.523 ( 0.000 -1.736 9.228) 9.389 8.683 ( 0.000 -11.605 -0.038) 11.605 9.377 ( 0.000 13.161 -9.583) 16.280 9.711 ( 0.000 -2.866 -7.041) 7.602======================= Grid point 148 (54/84) =======================q-point: ( 0.14 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.622 ( 6.325 4.219 0.055) 7.603 1.918 ( 3.125 -6.880 16.313) 17.978 2.089 ( 6.866 4.219 21.777) 23.220 2.342 ( 5.259 -7.216 14.661) 17.166 2.507 ( 3.459 0.939 6.646) 7.551 2.716 ( 2.866 -4.865 4.524) 7.235 2.847 ( -4.966 4.024 8.319) 10.491 2.983 ( -3.737 -1.704 9.790) 10.617 3.280 ( -7.099 7.078 0.615) 10.043 3.423 ( -3.696 -2.668 1.043) 4.676 3.481 ( -4.498 2.341 5.446) 7.441 3.620 ( -4.381 0.741 5.083) 6.751 3.710 ( -1.365 3.429 8.238) 9.027 3.828 ( 1.107 1.303 -0.891) 1.928 3.937 ( 4.331 2.498 5.556) 7.474 4.052 ( 5.606 3.194 -3.741) 7.458 4.143 ( 7.781 -3.181 -5.311) 9.943 4.252 ( 0.209 -5.555 6.177) 8.310 4.454 ( -1.306 6.567 -5.035) 8.378 4.615 ( 1.106 -4.698 4.752) 6.774 4.681 ( 3.248 -2.191 14.420) 14.943 4.764 ( 2.005 0.087 4.018) 4.492 4.874 ( 5.335 -1.293 9.576) 11.038 4.928 ( -2.367 -8.278 -8.375) 12.011 5.173 ( 3.308 -0.926 -2.633) 4.328 5.222 ( 2.172 -1.940 2.623) 3.920 5.289 ( 0.535 5.901 3.664) 6.966 5.424 ( 7.218 1.040 -0.456) 7.307 5.763 ( -8.513 3.054 10.467) 13.833 5.907 ( -3.677 -1.439 6.899) 7.949 5.996 ( 1.501 0.385 7.827) 7.979 6.073 ( -1.701 -1.649 6.032) 6.480 6.141 ( -2.794 2.170 -2.394) 4.272 6.213 ( -0.136 -0.976 -4.109) 4.226 6.466 ( 2.587 3.192 -25.397) 25.727 6.569 ( 3.244 -0.336 -24.592) 24.807 6.638 ( 0.736 1.602 -2.902) 3.396 6.712 ( -1.445 -1.199 -2.500) 3.127 8.438 ( -7.757 -1.409 8.824) 11.833 8.598 ( -8.326 -9.316 0.701) 12.514 9.341 ( -2.419 11.842 -8.233) 14.624 9.679 ( -3.137 -3.335 -7.153) 8.492======================= Grid point 149 (55/84) =======================q-point: ( 0.29 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( 10.351 4.085 0.718) 11.152 2.022 ( 6.434 -4.572 13.478) 15.618 2.246 ( 7.380 4.528 16.961) 19.043 2.440 ( 3.436 -4.196 12.432) 13.564 2.605 ( 4.543 -1.751 10.991) 12.021 2.705 ( -4.791 -1.079 11.426) 12.437 2.804 ( -4.545 0.240 5.271) 6.964 2.866 ( 0.296 -4.312 6.944) 8.179 3.115 ( -8.511 3.633 7.676) 12.023 3.317 ( -6.798 -4.556 2.521) 8.563 3.409 ( -0.330 6.744 6.465) 9.348 3.587 ( 1.711 -0.845 6.129) 6.419 3.681 ( -2.342 5.937 8.704) 10.793 3.839 ( -0.100 0.704 -0.935) 1.175 4.056 ( 5.613 -1.033 1.892) 6.012 4.145 ( 2.431 -1.744 -3.457) 4.572 4.199 ( 1.162 0.442 -3.429) 3.648 4.294 ( -0.210 -0.438 9.305) 9.317 4.467 ( 3.345 3.654 -4.741) 6.857 4.606 ( -1.729 -1.520 -3.886) 4.517 4.755 ( 4.043 -1.093 10.499) 11.304 4.844 ( 5.143 0.962 7.432) 9.089 4.926 ( 2.689 -8.913 -4.652) 10.407 5.033 ( 7.962 -1.209 12.310) 14.710 5.226 ( 0.498 -0.224 6.518) 6.541 5.254 ( 3.913 -0.583 3.297) 5.150 5.328 ( 1.286 7.685 -6.639) 10.237 5.552 ( -7.956 2.254 10.257) 13.175 5.607 ( 6.201 0.482 -1.603) 6.423 5.804 ( -4.772 -3.742 10.293) 11.946 6.002 ( -2.002 -0.658 3.218) 3.847 6.030 ( -3.583 -0.947 5.417) 6.563 6.072 ( -1.640 2.668 -0.523) 3.175 6.191 ( -2.097 -1.109 -0.311) 2.392 6.549 ( 4.901 1.458 -22.450) 23.025 6.647 ( 1.560 -1.147 -15.246) 15.368 6.658 ( 1.289 0.121 -12.615) 12.681 6.689 ( 1.662 -0.712 -17.241) 17.335 8.233 ( -10.826 -0.220 8.487) 13.758 8.356 ( -13.655 -3.249 3.180) 14.392 9.316 ( 0.440 7.099 -6.514) 9.644 9.585 ( -5.612 -3.423 -6.888) 9.522======================= Grid point 150 (56/84) =======================q-point: ( 0.43 0.25 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( 9.882 3.991 3.083) 11.094 2.132 ( 1.380 1.148 9.211) 9.384 2.370 ( 5.428 -1.088 8.281) 9.961 2.498 ( 2.233 -4.046 10.531) 11.500 2.544 ( -7.578 -0.750 13.917) 15.864 2.607 ( -5.975 -2.158 12.566) 14.080 2.762 ( 5.315 1.826 9.940) 11.419 2.895 ( -5.835 6.015 8.006) 11.590 3.030 ( 4.796 -7.359 13.301) 15.940 3.166 ( -7.166 -4.790 8.267) 11.943 3.468 ( 5.358 6.473 5.027) 9.792 3.594 ( -5.608 5.827 3.553) 8.834 3.681 ( 6.032 -3.305 4.441) 8.187 3.798 ( -4.182 -3.184 0.759) 5.311 4.128 ( 1.727 1.219 6.370) 6.712 4.162 ( -0.837 1.298 -0.966) 1.822 4.239 ( 2.240 -0.472 -4.518) 5.064 4.272 ( -0.742 -0.264 3.811) 3.892 4.532 ( 2.314 3.056 -3.959) 5.511 4.569 ( -1.574 2.306 -6.256) 6.851 4.842 ( 4.006 -4.657 8.948) 10.853 4.900 ( -0.684 -5.279 6.962) 8.764 5.028 ( 6.748 -1.271 7.373) 10.075 5.150 ( -0.421 -3.080 11.307) 11.726 5.257 ( 0.901 7.255 7.237) 10.287 5.289 ( 3.650 6.339 -0.296) 7.321 5.353 ( -0.362 1.884 -1.304) 2.320 5.391 ( -5.196 3.023 5.321) 8.028 5.706 ( 3.137 -5.310 2.473) 6.644 5.780 ( 0.039 -5.680 1.460) 5.865 5.913 ( -2.705 1.461 3.075) 4.349 5.953 ( -3.556 0.034 2.129) 4.144 6.085 ( 1.778 0.313 3.333) 3.790 6.135 ( -2.899 -0.628 2.320) 3.766 6.613 ( 0.946 0.137 -4.197) 4.305 6.630 ( -1.121 -0.314 -3.449) 3.640 6.721 ( 4.445 -1.049 -33.856) 34.163 6.759 ( 1.613 -2.312 -36.106) 36.216 8.056 ( -4.289 1.692 8.873) 9.999 8.104 ( -8.644 1.326 6.935) 11.161 9.361 ( 3.747 1.936 -6.039) 7.366 9.463 ( -5.737 -1.714 -6.341) 8.721======================= Grid point 154 (57/84) =======================q-point: ( 0.00 -0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 0.000 -8.820 10.279) 13.544 1.696 ( 0.000 8.820 10.279) 13.544 2.120 ( 0.000 -6.412 19.128) 20.174 2.120 ( 0.000 6.412 19.128) 20.174 2.557 ( 0.000 -5.749 4.164) 7.099 2.557 ( 0.000 5.749 4.164) 7.099 2.995 ( 0.000 -3.100 8.709) 9.245 2.995 ( 0.000 3.100 8.709) 9.245 3.446 ( 0.000 -1.761 -2.906) 3.397 3.446 ( 0.000 1.761 -2.906) 3.397 3.607 ( 0.000 -5.865 3.485) 6.822 3.607 ( 0.000 5.865 3.485) 6.822 3.800 ( 0.000 -2.894 -0.148) 2.898 3.800 ( 0.000 2.894 -0.148) 2.898 3.986 ( 0.000 -2.880 0.902) 3.018 3.986 ( 0.000 2.880 0.902) 3.018 4.104 ( 0.000 -8.482 10.565) 13.549 4.104 ( 0.000 8.482 10.565) 13.549 4.520 ( 0.000 -0.941 9.778) 9.824 4.520 ( 0.000 0.941 9.778) 9.824 4.660 ( 0.000 -9.553 -3.290) 10.104 4.660 ( 0.000 9.553 -3.290) 10.104 4.851 ( 0.000 -5.585 1.823) 5.875 4.851 ( 0.000 5.585 1.823) 5.875 5.147 ( 0.000 -1.155 -2.507) 2.760 5.147 ( 0.000 1.155 -2.507) 2.760 5.348 ( 0.000 -0.626 3.506) 3.561 5.348 ( 0.000 0.626 3.506) 3.561 5.923 ( 0.000 -1.904 6.097) 6.387 5.923 ( 0.000 1.904 6.097) 6.387 6.018 ( 0.000 -3.884 9.577) 10.335 6.018 ( 0.000 3.884 9.577) 10.335 6.198 ( 0.000 -0.851 -4.500) 4.580 6.198 ( 0.000 0.851 -4.500) 4.580 6.514 ( 0.000 -2.290 -24.246) 24.354 6.514 ( 0.000 2.290 -24.246) 24.354 6.685 ( 0.000 -2.529 -1.687) 3.039 6.685 ( 0.000 2.529 -1.687) 3.039 8.524 ( 0.000 -3.095 6.852) 7.518 8.524 ( 0.000 3.095 6.852) 7.518 9.602 ( 0.000 -7.780 -9.424) 12.221 9.602 ( 0.000 7.780 -9.424) 12.221======================= Grid point 156 (58/84) =======================q-point: ( 0.14 -0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 5.343 -7.734 9.280) 13.209 1.752 ( 5.343 7.734 9.280) 13.209 2.198 ( 6.616 -6.018 17.768) 19.892 2.198 ( 6.616 6.018 17.768) 19.892 2.585 ( 2.582 -5.971 6.080) 8.904 2.585 ( 2.582 5.971 6.080) 8.904 2.931 ( -5.674 -3.574 8.866) 11.117 2.931 ( -5.674 3.574 8.866) 11.117 3.372 ( -6.335 -2.221 -0.914) 6.775 3.372 ( -6.335 2.221 -0.914) 6.775 3.580 ( -3.105 -4.635 4.306) 7.047 3.580 ( -3.105 4.635 4.306) 7.047 3.785 ( 1.436 -3.588 1.739) 4.238 3.785 ( 1.436 3.588 1.739) 4.238 4.067 ( -0.612 -4.947 -0.740) 5.039 4.067 ( -0.612 4.947 -0.740) 5.039 4.124 ( 7.265 -3.181 8.233) 11.432 4.124 ( 7.265 3.181 8.233) 11.432 4.542 ( 1.299 -5.534 8.307) 10.065 4.542 ( 1.299 5.534 8.307) 10.065 4.708 ( 3.395 -8.756 -6.181) 11.242 4.708 ( 3.395 8.756 -6.181) 11.242 4.840 ( 1.083 -3.995 5.863) 7.177 4.840 ( 1.083 3.995 5.863) 7.177 5.177 ( 1.994 -1.428 1.209) 2.734 5.177 ( 1.994 1.428 1.209) 2.734 5.400 ( 4.763 -3.465 -0.241) 5.895 5.400 ( 4.763 3.465 -0.241) 5.895 5.842 ( -6.752 -4.002 9.919) 12.649 5.842 ( -6.752 4.002 9.919) 12.649 6.030 ( 0.261 -2.225 6.491) 6.867 6.030 ( 0.261 2.225 6.491) 6.867 6.184 ( -1.378 -1.728 -3.673) 4.287 6.184 ( -1.378 1.728 -3.673) 4.287 6.537 ( 2.177 -2.812 -25.903) 26.146 6.537 ( 2.177 2.812 -25.903) 26.146 6.678 ( -0.612 -1.922 -2.537) 3.241 6.678 ( -0.612 1.922 -2.537) 3.241 8.453 ( -6.608 -3.675 6.793) 10.164 8.453 ( -6.608 3.675 6.793) 10.164 9.560 ( -3.646 -8.089 -8.776) 12.480 9.560 ( -3.646 8.089 -8.776) 12.480======================= Grid point 158 (59/84) =======================q-point: ( 0.29 -0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( 9.481 -5.718 7.307) 13.265 1.910 ( 9.481 5.718 7.307) 13.265 2.340 ( 5.693 -4.531 13.490) 15.327 2.340 ( 5.693 4.532 13.490) 15.327 2.642 ( 0.735 -4.163 12.154) 12.869 2.642 ( 0.735 4.163 12.154) 12.869 2.806 ( -3.635 -0.671 8.459) 9.231 2.806 ( -3.635 0.671 8.459) 9.231 3.213 ( -8.477 -4.986 3.725) 10.517 3.213 ( -8.477 4.986 3.725) 10.517 3.536 ( 0.030 -4.380 5.817) 7.282 3.536 ( 0.030 4.380 5.817) 7.282 3.798 ( -1.776 -4.467 0.743) 4.864 3.798 ( -1.776 4.467 0.743) 4.864 4.094 ( 3.694 -3.166 -1.414) 5.067 4.094 ( 3.694 3.166 -1.414) 5.067 4.225 ( 1.529 -3.387 6.899) 7.836 4.225 ( 1.529 3.387 6.899) 7.836 4.590 ( 3.387 -6.084 3.442) 7.768 4.590 ( 3.387 6.084 3.442) 7.768 4.735 ( 0.451 -5.585 -3.662) 6.693 4.735 ( 0.451 5.585 -3.662) 6.693 4.952 ( 7.504 -5.438 8.493) 12.570 4.952 ( 7.504 5.438 8.493) 12.570 5.228 ( 3.626 -0.972 2.180) 4.341 5.228 ( 3.626 0.972 2.180) 4.341 5.499 ( 2.458 -6.304 -1.591) 6.951 5.499 ( 2.458 6.304 -1.591) 6.951 5.692 ( -5.736 -5.872 10.207) 13.098 5.692 ( -5.736 5.872 10.207) 13.098 6.005 ( -2.854 -0.944 5.059) 5.885 6.005 ( -2.854 0.944 5.059) 5.885 6.144 ( -2.195 -3.306 -1.298) 4.175 6.144 ( -2.195 3.306 -1.298) 4.175 6.598 ( 2.999 -2.883 -22.369) 22.753 6.598 ( 2.999 2.883 -22.369) 22.753 6.670 ( 0.502 -0.869 -11.361) 11.406 6.670 ( 0.502 0.869 -11.361) 11.406 8.273 ( -9.842 -3.699 6.908) 12.580 8.273 ( -9.842 3.699 6.908) 12.580 9.474 ( -3.981 -6.857 -7.449) 10.879 9.474 ( -3.981 6.857 -7.449) 10.879======================= Grid point 160 (60/84) =======================q-point: ( 0.43 -0.50 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( 8.654 -3.509 5.440) 10.807 2.115 ( 8.654 3.509 5.440) 10.807 2.388 ( -1.868 -3.772 6.621) 7.846 2.388 ( -1.868 3.772 6.621) 7.846 2.562 ( -3.849 -1.659 17.028) 17.537 2.562 ( -3.849 1.659 17.028) 17.537 2.868 ( 6.606 -7.248 11.990) 15.489 2.868 ( 6.606 7.248 11.990) 15.489 3.037 ( -8.002 -6.916 8.607) 13.637 3.037 ( -8.002 6.916 8.607) 13.637 3.593 ( 4.975 -4.853 3.342) 7.712 3.593 ( 4.975 4.853 3.342) 7.712 3.714 ( -5.647 -4.736 0.638) 7.398 3.714 ( -5.647 4.736 0.638) 7.398 4.175 ( 2.956 -2.109 -3.397) 4.972 4.175 ( 2.956 2.109 -3.397) 4.972 4.221 ( -1.000 -1.752 6.966) 7.253 4.221 ( -1.000 1.752 6.966) 7.253 4.650 ( 1.746 -2.583 2.371) 3.917 4.650 ( 1.746 2.583 2.371) 3.917 4.751 ( 0.709 -3.574 0.470) 3.673 4.751 ( 0.709 3.574 0.470) 3.673 5.072 ( 3.166 -3.630 9.151) 10.342 5.072 ( 3.166 3.630 9.151) 10.342 5.330 ( 4.309 -1.283 1.617) 4.778 5.330 ( 4.309 1.283 1.617) 4.778 5.461 ( -2.162 -0.333 6.939) 7.276 5.461 ( -2.162 0.333 6.939) 7.276 5.641 ( -1.853 -3.440 -0.972) 4.027 5.641 ( -1.853 3.440 -0.972) 4.027 5.941 ( -1.884 -1.013 4.424) 4.914 5.941 ( -1.884 1.013 4.424) 4.914 6.109 ( -0.994 -1.646 1.247) 2.292 6.109 ( -0.994 1.646 1.247) 2.292 6.621 ( -0.129 -0.501 -4.130) 4.162 6.621 ( -0.129 0.501 -4.130) 4.162 6.718 ( 2.439 -1.048 -33.488) 33.593 6.718 ( 2.439 1.048 -33.488) 33.593 8.100 ( -5.202 -1.673 7.610) 9.369 8.100 ( -5.202 1.673 7.610) 9.369 9.413 ( -1.595 -2.696 -6.521) 7.234 9.413 ( -1.595 2.696 -6.521) 7.234======================= Grid point 175 (61/84) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( 0.000 0.000 -3.442) 3.442 2.336 ( 0.000 0.000 16.441) 16.441 2.447 ( 0.000 0.000 22.783) 22.783 2.608 ( 0.000 0.000 8.242) 8.242 2.629 ( 0.000 0.000 -4.117) 4.117 2.762 ( 0.000 0.000 14.385) 14.385 2.966 ( 0.000 0.000 5.717) 5.717 3.173 ( 0.000 0.000 -6.056) 6.056 3.386 ( 0.000 0.000 19.307) 19.307 3.442 ( 0.000 0.000 -3.324) 3.324 3.648 ( 0.000 0.000 2.444) 2.444 3.663 ( 0.000 0.000 -6.891) 6.891 3.741 ( 0.000 0.000 1.557) 1.557 3.766 ( 0.000 0.000 -9.790) 9.790 3.860 ( 0.000 0.000 -2.987) 2.987 3.869 ( 0.000 0.000 1.544) 1.544 4.246 ( 0.000 0.000 24.801) 24.801 4.278 ( 0.000 0.000 0.311) 0.311 4.367 ( 0.000 0.000 -0.264) 0.264 4.589 ( 0.000 0.000 -14.340) 14.340 4.680 ( 0.000 0.000 -5.139) 5.139 4.833 ( 0.000 0.000 -14.405) 14.405 4.841 ( 0.000 0.000 -12.029) 12.029 4.945 ( 0.000 0.000 0.641) 0.641 5.024 ( 0.000 0.000 -9.644) 9.644 5.271 ( 0.000 0.000 20.116) 20.116 5.275 ( 0.000 0.000 5.229) 5.229 5.749 ( 0.000 0.000 17.047) 17.047 5.855 ( 0.000 0.000 -8.386) 8.386 5.989 ( 0.000 0.000 4.871) 4.871 6.020 ( 0.000 0.000 -6.812) 6.812 6.040 ( 0.000 0.000 -2.893) 2.893 6.105 ( 0.000 0.000 5.471) 5.471 6.200 ( 0.000 0.000 3.233) 3.233 6.297 ( 0.000 0.000 -8.528) 8.528 6.338 ( 0.000 0.000 9.629) 9.629 6.594 ( 0.000 0.000 -0.003) 0.003 6.705 ( 0.000 0.000 -1.890) 1.890 8.674 ( 0.000 0.000 3.429) 3.429 8.736 ( 0.000 0.000 -8.298) 8.298 9.060 ( 0.000 0.000 -2.774) 2.774 9.642 ( 0.000 0.000 -3.735) 3.735======================= Grid point 176 (62/84) =======================q-point: ( 0.14 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( 7.075 0.000 -3.299) 7.807 2.354 ( 1.256 0.000 14.914) 14.967 2.459 ( 1.483 0.000 19.051) 19.109 2.641 ( 2.732 0.000 7.164) 7.667 2.697 ( 5.763 0.000 -0.629) 5.797 2.807 ( 4.033 0.000 13.722) 14.302 2.960 ( -0.558 0.000 7.846) 7.866 3.087 ( -6.943 0.000 -3.701) 7.868 3.404 ( 1.651 0.000 17.455) 17.533 3.444 ( -0.684 0.000 0.962) 1.180 3.577 ( -5.113 0.000 4.316) 6.691 3.635 ( -1.635 0.000 -0.916) 1.874 3.780 ( 0.583 0.000 -0.362) 0.686 3.801 ( 4.264 0.000 -2.024) 4.719 3.826 ( 3.919 0.000 -9.598) 10.368 4.055 ( 9.693 0.000 -4.337) 10.619 4.123 ( -7.397 0.000 10.942) 13.208 4.332 ( 1.722 0.000 5.946) 6.190 4.345 ( -1.743 0.000 0.166) 1.751 4.658 ( -2.036 0.000 -2.231) 3.020 4.677 ( 5.772 0.000 -16.194) 17.192 4.813 ( -2.857 0.000 -7.403) 7.936 4.836 ( 1.866 0.000 -9.625) 9.804 4.937 ( 4.075 0.000 -4.724) 6.238 5.166 ( 8.696 0.000 -5.553) 10.318 5.308 ( 2.644 0.000 5.363) 5.979 5.327 ( 5.070 0.000 16.466) 17.229 5.713 ( -3.214 0.000 16.493) 16.803 5.854 ( -0.725 0.000 -6.599) 6.638 5.926 ( -5.099 0.000 5.219) 7.296 6.031 ( 0.904 0.000 -8.271) 8.320 6.050 ( 0.992 0.000 -1.984) 2.218 6.094 ( -1.692 0.000 3.104) 3.535 6.166 ( -2.340 0.000 2.212) 3.220 6.283 ( -1.283 0.000 -8.436) 8.533 6.317 ( -1.923 0.000 9.481) 9.674 6.603 ( 0.499 0.000 -0.261) 0.563 6.676 ( -2.558 0.000 -2.417) 3.519 8.587 ( -7.933 0.000 3.564) 8.697 8.626 ( -9.900 0.000 -6.245) 11.705 9.081 ( 2.019 0.000 -2.912) 3.543 9.608 ( -3.256 0.000 -4.033) 5.183======================= Grid point 177 (63/84) =======================q-point: ( 0.29 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( 12.153 0.000 -2.663) 12.442 2.355 ( -2.145 0.000 9.521) 9.759 2.515 ( 3.784 0.000 14.767) 15.244 2.692 ( 1.603 0.000 4.349) 4.635 2.825 ( 5.081 0.000 2.444) 5.638 2.895 ( 0.622 0.000 10.977) 10.994 2.945 ( -2.625 0.000 5.064) 5.704 2.947 ( -0.083 0.000 13.032) 13.032 3.439 ( 1.102 0.000 8.660) 8.730 3.445 ( 1.830 0.000 15.659) 15.766 3.480 ( -3.401 0.000 8.088) 8.774 3.601 ( -1.645 0.000 0.985) 1.918 3.839 ( 3.135 0.000 -0.775) 3.229 3.872 ( 1.263 0.000 3.380) 3.608 3.918 ( 5.172 0.000 -10.902) 12.067 3.988 ( -4.168 0.000 -2.063) 4.651 4.209 ( 3.030 0.000 -5.117) 5.947 4.320 ( 0.894 0.000 -0.101) 0.899 4.360 ( 1.261 0.000 2.888) 3.151 4.576 ( -6.014 0.000 -0.318) 6.022 4.742 ( 2.705 0.000 -16.758) 16.975 4.799 ( 1.468 0.000 -9.656) 9.767 5.000 ( 11.340 0.000 -7.045) 13.350 5.046 ( 5.923 0.000 4.115) 7.212 5.334 ( 6.875 0.000 -2.523) 7.324 5.360 ( 1.779 0.000 6.244) 6.493 5.458 ( 6.290 0.000 8.784) 10.804 5.635 ( -3.147 0.000 13.684) 14.041 5.747 ( -8.385 0.000 9.645) 12.780 5.862 ( -1.749 0.000 -8.035) 8.223 6.034 ( -3.506 0.000 2.953) 4.585 6.038 ( -0.650 0.000 -1.276) 1.432 6.087 ( 2.327 0.000 -8.771) 9.075 6.135 ( -0.360 0.000 -2.023) 2.055 6.253 ( -1.261 0.000 -8.854) 8.943 6.269 ( -2.366 0.000 6.280) 6.711 6.603 ( -0.649 0.000 -0.749) 0.991 6.614 ( -2.909 0.000 -3.169) 4.302 8.374 ( -12.692 0.000 -1.576) 12.790 8.377 ( -11.086 0.000 3.962) 11.773 9.143 ( 3.953 0.000 -3.251) 5.118 9.511 ( -5.880 0.000 -4.303) 7.286======================= Grid point 178 (64/84) =======================q-point: ( 0.43 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.978 ( 13.575 0.000 -1.451) 13.652 2.232 ( -9.815 0.000 1.835) 9.985 2.606 ( 4.767 0.000 9.790) 10.889 2.692 ( -2.375 0.000 3.242) 4.018 2.819 ( -1.360 0.000 13.521) 13.590 2.844 ( -2.008 0.000 10.298) 10.492 2.995 ( 2.976 0.000 12.645) 12.991 3.005 ( 2.266 0.000 12.196) 12.405 3.435 ( -0.154 0.000 12.386) 12.387 3.454 ( -1.087 0.000 15.738) 15.775 3.503 ( 3.708 0.000 7.345) 8.228 3.568 ( -2.004 0.000 0.621) 2.098 3.850 ( -0.628 0.000 6.711) 6.740 3.865 ( -0.636 0.000 0.429) 0.767 3.982 ( 1.605 0.000 -11.486) 11.598 4.001 ( 1.009 0.000 -12.387) 12.428 4.249 ( 4.809 0.000 3.497) 5.946 4.369 ( 2.077 0.000 -4.401) 4.867 4.370 ( -1.725 0.000 5.454) 5.720 4.426 ( -6.827 0.000 -3.975) 7.900 4.815 ( 3.063 0.000 -16.873) 17.149 4.835 ( 1.030 0.000 -15.371) 15.405 5.184 ( 6.979 0.000 10.882) 12.927 5.215 ( 7.571 0.000 0.020) 7.571 5.357 ( -2.027 0.000 6.350) 6.666 5.399 ( -2.650 0.000 -1.976) 3.305 5.515 ( 2.049 0.000 14.427) 14.572 5.591 ( -5.470 0.000 11.379) 12.625 5.679 ( 6.237 0.000 -2.755) 6.818 5.800 ( -4.612 0.000 -8.405) 9.587 5.981 ( -0.759 0.000 5.467) 5.519 6.003 ( -2.214 0.000 3.371) 4.033 6.125 ( 1.102 0.000 -6.736) 6.825 6.138 ( -0.093 0.000 -3.869) 3.870 6.236 ( -0.376 0.000 -4.301) 4.318 6.239 ( -0.213 0.000 -10.697) 10.699 6.574 ( -0.671 0.000 -2.673) 2.756 6.582 ( -1.050 0.000 -1.449) 1.790 8.171 ( -5.334 0.000 2.793) 6.021 8.183 ( -6.121 0.000 4.304) 7.483 9.245 ( 5.754 0.000 -3.690) 6.836 9.376 ( -6.702 0.000 -4.118) 7.866======================= Grid point 182 (65/84) =======================q-point: ( 0.00 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 0.000 10.983 -0.764) 11.009 2.193 ( 0.000 -13.640 10.969) 17.504 2.454 ( 0.000 0.338 19.458) 19.461 2.504 ( 0.000 -4.251 7.015) 8.203 2.629 ( 0.000 2.693 10.719) 11.052 2.825 ( 0.000 -0.908 11.911) 11.945 3.032 ( 0.000 5.242 5.390) 7.519 3.140 ( 0.000 -0.677 -3.060) 3.134 3.406 ( 0.000 -2.169 -3.842) 4.411 3.458 ( 0.000 2.555 13.442) 13.683 3.581 ( 0.000 -2.950 0.568) 3.004 3.686 ( 0.000 -0.116 -4.014) 4.015 3.767 ( 0.000 2.200 1.884) 2.897 3.786 ( 0.000 2.189 -6.079) 6.462 3.869 ( 0.000 0.956 -4.410) 4.512 3.881 ( 0.000 0.928 -0.817) 1.237 4.315 ( 0.000 2.842 -4.034) 4.935 4.335 ( 0.000 5.478 19.968) 20.706 4.348 ( 0.000 -0.204 2.828) 2.836 4.521 ( 0.000 -4.080 -11.342) 12.054 4.714 ( 0.000 2.374 -6.092) 6.538 4.757 ( 0.000 -5.923 -6.969) 9.146 4.844 ( 0.000 0.042 -10.768) 10.768 4.988 ( 0.000 3.085 -3.841) 4.926 5.031 ( 0.000 0.214 -6.690) 6.693 5.051 ( 0.000 -10.897 11.947) 16.170 5.438 ( 0.000 6.256 11.562) 13.146 5.675 ( 0.000 -5.645 15.634) 16.622 5.868 ( 0.000 1.153 -7.783) 7.868 5.946 ( 0.000 -2.324 -2.647) 3.523 6.073 ( 0.000 3.247 0.714) 3.325 6.091 ( 0.000 4.162 -6.048) 7.341 6.157 ( 0.000 3.160 7.625) 8.254 6.193 ( 0.000 -0.115 3.135) 3.137 6.264 ( 0.000 -2.785 -8.483) 8.928 6.318 ( 0.000 -2.024 8.843) 9.072 6.611 ( 0.000 1.454 -0.809) 1.664 6.687 ( 0.000 -1.522 -2.321) 2.776 8.649 ( 0.000 -1.962 3.637) 4.133 8.656 ( 0.000 -4.193 -2.298) 4.782 9.214 ( 0.000 10.905 -6.256) 12.572 9.590 ( 0.000 -4.900 -4.784) 6.848======================= Grid point 183 (66/84) =======================q-point: ( 0.14 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.611 ( 6.194 10.102 -0.900) 11.884 2.203 ( 1.240 -12.617 10.590) 16.519 2.492 ( 3.065 1.156 15.992) 16.324 2.555 ( 3.926 -4.658 7.078) 9.338 2.679 ( 4.720 2.306 10.696) 11.917 2.868 ( 3.458 -0.663 10.970) 11.521 3.016 ( -1.165 4.142 7.609) 8.742 3.076 ( -5.596 0.262 -1.156) 5.720 3.373 ( -1.762 -1.287 4.563) 5.058 3.461 ( -1.128 -2.438 9.060) 9.450 3.567 ( -0.065 2.618 3.444) 4.327 3.665 ( -2.753 2.025 0.397) 3.440 3.753 ( -0.798 -0.769 -1.912) 2.210 3.784 ( 3.386 -2.731 -5.618) 7.105 3.911 ( 5.518 6.248 -3.691) 9.116 4.050 ( 6.884 -0.692 0.015) 6.918 4.171 ( -5.357 3.889 2.473) 7.067 4.318 ( -1.292 1.137 0.755) 1.879 4.425 ( 3.007 3.324 5.910) 7.417 4.537 ( -1.202 -4.665 -10.566) 11.613 4.709 ( -1.445 -4.239 -8.096) 9.252 4.787 ( -1.318 -3.676 -8.923) 9.740 4.807 ( 5.188 3.049 -0.008) 6.018 4.986 ( 3.441 2.310 -6.131) 7.401 5.144 ( 7.268 -5.225 10.939) 14.134 5.173 ( 8.213 -1.637 -7.759) 11.416 5.455 ( 1.597 5.003 11.116) 12.294 5.646 ( -2.539 -4.855 14.908) 15.883 5.868 ( -0.477 1.123 -6.867) 6.974 5.922 ( -2.802 -0.774 -0.296) 2.922 6.045 ( -1.411 1.039 -2.129) 2.758 6.085 ( -1.649 3.555 -1.888) 4.350 6.136 ( -2.095 -0.681 3.698) 4.305 6.156 ( -1.433 3.200 -0.593) 3.556 6.269 ( -0.362 -2.058 -3.333) 3.934 6.296 ( -1.823 -1.625 5.496) 6.014 6.611 ( -0.169 0.795 -1.004) 1.291 6.663 ( -2.134 -1.122 -2.535) 3.499 8.552 ( -8.165 -2.061 1.962) 8.647 8.589 ( -6.998 -2.545 -0.352) 7.455 9.205 ( -0.486 9.494 -5.173) 10.823 9.557 ( -3.097 -4.789 -4.772) 7.436======================= Grid point 184 (67/84) =======================q-point: ( 0.29 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( 10.875 8.023 -0.976) 13.549 2.247 ( 2.446 -9.164 8.005) 12.412 2.537 ( 0.283 1.198 10.284) 10.358 2.628 ( 2.502 -4.110 6.226) 7.868 2.806 ( 6.308 0.035 7.864) 10.081 2.886 ( -3.455 -1.762 5.479) 6.713 2.957 ( -2.816 3.966 10.411) 11.491 3.048 ( 4.263 3.383 13.006) 14.099 3.339 ( -1.472 -3.246 12.246) 12.754 3.431 ( -1.681 -3.144 10.694) 11.272 3.572 ( 0.946 5.361 7.381) 9.171 3.626 ( -1.074 2.070 1.036) 2.552 3.774 ( 1.452 -3.275 -4.418) 5.688 3.815 ( -1.717 -4.250 -1.513) 4.827 4.014 ( 3.198 5.112 2.257) 6.439 4.035 ( 0.496 2.935 -5.032) 5.846 4.230 ( 3.242 2.324 -1.013) 4.116 4.330 ( 2.929 3.035 -3.928) 5.764 4.462 ( -1.264 5.777 -5.300) 7.941 4.474 ( -2.338 -5.189 1.807) 5.971 4.701 ( 2.127 -5.373 -10.438) 11.931 4.770 ( 1.034 -4.614 -10.206) 11.248 5.000 ( 10.319 2.888 2.351) 10.970 5.099 ( 6.320 2.960 -5.950) 9.171 5.279 ( 4.782 -4.110 9.349) 11.277 5.323 ( 5.179 -2.266 -6.831) 8.866 5.498 ( 1.984 1.867 11.495) 11.813 5.599 ( -0.349 -1.872 9.927) 10.108 5.792 ( -6.829 2.744 6.545) 9.849 5.862 ( -2.629 -0.389 -5.501) 6.110 6.018 ( -1.478 -0.331 -3.011) 3.370 6.036 ( -2.314 -0.598 -0.862) 2.541 6.098 ( -1.715 0.222 0.946) 1.971 6.139 ( -0.529 1.322 -3.382) 3.669 6.247 ( -0.975 -1.540 3.073) 3.573 6.265 ( -0.715 0.248 -6.627) 6.670 6.596 ( -1.391 -0.169 -2.056) 2.489 6.613 ( -2.144 -0.263 -2.125) 3.030 8.346 ( -10.526 -0.499 2.474) 10.824 8.391 ( -10.841 -0.592 0.954) 10.899 9.211 ( 1.359 5.819 -3.864) 7.116 9.468 ( -5.123 -3.914 -4.486) 7.854======================= Grid point 185 (68/84) =======================q-point: ( 0.43 0.25 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.038 ( 11.913 5.293 -0.720) 13.056 2.237 ( -5.462 -0.262 1.632) 5.706 2.537 ( 2.038 -4.199 7.864) 9.145 2.619 ( -3.822 -5.433 4.850) 8.225 2.829 ( 0.191 0.312 10.437) 10.443 2.855 ( -1.095 -0.339 9.177) 9.249 3.015 ( 6.150 4.629 15.336) 17.159 3.104 ( -0.860 6.286 13.349) 14.780 3.332 ( 1.534 -6.862 15.142) 16.695 3.386 ( -2.717 -3.986 13.044) 13.907 3.597 ( 0.958 4.442 6.965) 8.317 3.613 ( -0.464 3.112 -0.069) 3.147 3.765 ( -0.751 -4.862 1.677) 5.198 3.782 ( -0.970 -5.050 -2.189) 5.588 4.057 ( 2.161 3.938 -4.055) 6.051 4.080 ( 0.634 3.928 -3.467) 5.277 4.281 ( 3.067 1.413 0.546) 3.421 4.366 ( -4.772 -4.400 -3.988) 7.618 4.400 ( 3.187 5.474 -3.555) 7.263 4.458 ( -1.864 7.642 -0.225) 7.869 4.780 ( 3.648 -4.121 -13.286) 14.381 4.805 ( 1.140 -4.614 -12.147) 13.044 5.183 ( 6.469 0.776 7.992) 10.311 5.220 ( 4.169 1.447 -5.628) 7.152 5.318 ( -0.160 -3.102 6.856) 7.526 5.357 ( -1.853 -3.180 -2.652) 4.536 5.539 ( 3.573 2.191 11.362) 12.111 5.645 ( -5.592 3.940 11.049) 12.995 5.672 ( 4.688 -1.272 -0.319) 4.868 5.783 ( -4.970 -1.945 -3.736) 6.515 5.983 ( -0.954 0.678 2.052) 2.362 5.995 ( -1.644 0.126 0.528) 1.732 6.085 ( 0.548 -2.785 -3.224) 4.296 6.112 ( -1.767 -2.680 -1.005) 3.363 6.254 ( 0.984 1.430 -6.952) 7.166 6.263 ( 0.121 1.401 -8.478) 8.593 6.570 ( -0.555 -0.218 -2.466) 2.537 6.579 ( -1.234 -0.313 -1.661) 2.093 8.176 ( -4.307 0.840 3.240) 5.455 8.198 ( -6.198 0.709 2.716) 6.804 9.264 ( 3.644 1.731 -3.598) 5.406 9.358 ( -5.203 -1.692 -3.961) 6.754======================= Grid point 189 (69/84) =======================q-point: ( 0.00 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( 0.000 -16.644 4.544) 17.253 1.850 ( 0.000 16.644 4.544) 17.253 2.461 ( 0.000 -0.683 13.660) 13.677 2.461 ( 0.000 0.683 13.660) 13.677 2.729 ( 0.000 -6.042 13.340) 14.645 2.729 ( 0.000 6.042 13.340) 14.645 3.128 ( 0.000 -2.352 1.356) 2.715 3.128 ( 0.000 2.352 1.356) 2.715 3.402 ( 0.000 -2.823 2.038) 3.482 3.402 ( 0.000 2.823 2.038) 3.482 3.634 ( 0.000 -4.112 -0.516) 4.144 3.634 ( 0.000 4.112 -0.516) 4.144 3.809 ( 0.000 -0.907 0.852) 1.245 3.809 ( 0.000 0.907 0.852) 1.245 3.891 ( 0.000 -0.412 -5.126) 5.142 3.891 ( 0.000 0.412 -5.126) 5.142 4.347 ( 0.000 -2.225 1.970) 2.972 4.347 ( 0.000 2.225 1.970) 2.972 4.442 ( 0.000 -5.868 -4.759) 7.555 4.442 ( 0.000 5.868 -4.759) 7.555 4.727 ( 0.000 -2.561 0.094) 2.562 4.727 ( 0.000 2.561 0.094) 2.562 4.859 ( 0.000 -3.905 4.381) 5.868 4.859 ( 0.000 3.905 4.381) 5.868 5.033 ( 0.000 -0.811 -8.559) 8.598 5.033 ( 0.000 0.811 -8.559) 8.598 5.554 ( 0.000 -5.331 13.255) 14.287 5.554 ( 0.000 5.331 13.255) 14.287 5.901 ( 0.000 -1.882 -6.037) 6.324 5.901 ( 0.000 1.882 -6.037) 6.324 6.138 ( 0.000 -2.508 3.473) 4.284 6.138 ( 0.000 2.508 3.473) 4.284 6.189 ( 0.000 -4.106 -8.086) 9.069 6.189 ( 0.000 4.106 -8.086) 9.069 6.255 ( 0.000 -3.717 7.601) 8.461 6.255 ( 0.000 3.717 7.601) 8.461 6.649 ( 0.000 -1.913 -2.133) 2.865 6.649 ( 0.000 1.913 -2.133) 2.865 8.616 ( 0.000 -0.396 2.601) 2.631 8.616 ( 0.000 0.396 2.601) 2.631 9.437 ( 0.000 -9.303 -6.619) 11.417 9.437 ( 0.000 9.303 -6.619) 11.417======================= Grid point 191 (70/84) =======================q-point: ( 0.14 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( 3.961 -15.215 4.225) 16.280 1.891 ( 3.961 15.215 4.225) 16.280 2.504 ( 3.502 -0.796 11.672) 12.212 2.504 ( 3.502 0.796 11.672) 12.212 2.776 ( 4.014 -5.913 12.596) 14.482 2.776 ( 4.014 5.913 12.596) 14.482 3.082 ( -3.786 -1.183 4.252) 5.815 3.082 ( -3.786 1.183 4.252) 5.815 3.382 ( -1.373 -2.682 4.626) 5.521 3.382 ( -1.373 2.682 4.626) 5.521 3.662 ( 0.854 -3.898 2.681) 4.808 3.662 ( 0.854 3.898 2.681) 4.808 3.741 ( -1.295 -0.173 -4.085) 4.289 3.741 ( -1.295 0.173 -4.085) 4.289 4.014 ( 5.742 -3.000 -0.941) 6.546 4.014 ( 5.742 3.000 -0.941) 6.546 4.282 ( -1.950 -5.949 -1.650) 6.474 4.282 ( -1.950 5.949 -1.650) 6.474 4.475 ( 1.020 -5.661 -2.722) 6.364 4.475 ( 1.020 5.661 -2.722) 6.364 4.685 ( -3.362 -4.916 -5.396) 8.037 4.685 ( -3.362 4.916 -5.396) 8.037 4.921 ( 6.767 -6.315 4.781) 10.418 4.921 ( 6.767 6.315 4.781) 10.418 5.133 ( 7.046 -2.670 -5.589) 9.382 5.133 ( 7.046 2.670 -5.589) 9.382 5.547 ( -0.483 -4.249 12.215) 12.942 5.547 ( -0.483 4.249 12.215) 12.942 5.896 ( -0.885 -1.441 -5.171) 5.440 5.896 ( -0.885 1.441 -5.171) 5.440 6.081 ( -3.979 -2.134 -0.149) 4.517 6.081 ( -3.979 2.134 -0.149) 4.517 6.193 ( -0.813 -4.555 0.771) 4.691 6.193 ( -0.813 4.555 0.771) 4.691 6.242 ( -0.865 -3.619 1.194) 3.907 6.242 ( -0.865 3.619 1.194) 3.907 6.635 ( -1.220 -1.339 -2.144) 2.806 6.635 ( -1.220 1.339 -2.144) 2.806 8.542 ( -6.799 -1.251 2.379) 7.311 8.542 ( -6.799 1.251 2.379) 7.311 9.410 ( -2.412 -8.850 -5.916) 10.915 9.410 ( -2.412 8.850 -5.916) 10.915======================= Grid point 193 (71/84) =======================q-point: ( 0.29 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 7.488 -11.777 3.088) 14.294 2.013 ( 7.488 11.777 3.088) 14.294 2.564 ( 0.970 -1.833 8.003) 8.267 2.564 ( 0.970 1.833 8.003) 8.267 2.839 ( 0.517 -2.480 6.327) 6.816 2.839 ( 0.517 2.480 6.327) 6.816 3.041 ( 2.095 -3.317 14.646) 15.163 3.041 ( 2.095 3.317 14.646) 15.163 3.349 ( -2.095 -3.583 10.713) 11.489 3.349 ( -2.095 3.583 10.713) 11.489 3.659 ( 0.056 -1.094 5.120) 5.236 3.659 ( 0.056 1.094 5.120) 5.236 3.736 ( -1.290 -1.510 -5.600) 5.941 3.736 ( -1.290 1.510 -5.600) 5.941 4.068 ( 1.564 -0.716 1.711) 2.426 4.068 ( 1.564 0.716 1.711) 2.426 4.315 ( 1.696 -5.163 -4.565) 7.097 4.315 ( 1.696 5.163 -4.565) 7.097 4.501 ( 3.174 -9.215 -2.898) 10.169 4.501 ( 3.174 9.215 -2.898) 10.168 4.642 ( -0.209 -6.831 -8.122) 10.615 4.642 ( -0.209 6.831 -8.122) 10.615 5.091 ( 8.291 -4.149 1.583) 9.405 5.091 ( 8.291 4.149 1.583) 9.405 5.258 ( 4.126 -2.671 -2.040) 5.322 5.258 ( 4.126 2.671 -2.040) 5.322 5.550 ( 1.201 -2.943 8.873) 9.425 5.550 ( 1.201 2.943 8.873) 9.425 5.839 ( -4.662 -1.656 0.512) 4.974 5.839 ( -4.662 1.656 0.512) 4.974 6.021 ( -1.363 -0.529 -4.899) 5.113 6.021 ( -1.363 0.529 -4.899) 5.113 6.131 ( -4.468 -2.326 6.074) 7.891 6.131 ( -4.468 2.326 6.074) 7.891 6.247 ( 1.215 -1.496 -5.491) 5.819 6.247 ( 1.215 1.496 -5.491) 5.819 6.602 ( -1.779 -0.616 -2.167) 2.871 6.602 ( -1.779 0.616 -2.167) 2.871 8.361 ( -9.604 -1.632 2.192) 9.985 8.361 ( -9.604 1.632 2.192) 9.985 9.353 ( -2.683 -6.668 -4.551) 8.507 9.353 ( -2.683 6.668 -4.551) 8.507======================= Grid point 195 (72/84) =======================q-point: ( 0.43 -0.50 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.171 ( 6.191 -6.000 0.705) 8.651 2.171 ( 6.191 6.000 0.705) 8.651 2.518 ( -3.950 -2.916 6.120) 7.846 2.518 ( -3.950 2.916 6.120) 7.846 2.837 ( 0.221 -0.728 8.637) 8.670 2.837 ( 0.221 0.728 8.637) 8.670 3.147 ( 6.240 -5.991 15.782) 17.997 3.147 ( 6.240 5.991 15.782) 17.997 3.279 ( -4.737 -5.160 14.780) 16.356 3.279 ( -4.737 5.160 14.780) 16.356 3.669 ( 0.625 -0.883 3.810) 3.960 3.669 ( 0.625 0.883 3.810) 3.960 3.695 ( -1.614 -1.144 -2.545) 3.224 3.695 ( -1.614 1.144 -2.545) 3.224 4.113 ( 1.907 -0.935 0.845) 2.286 4.113 ( 1.907 0.935 0.845) 2.286 4.296 ( -1.830 -1.503 -2.918) 3.758 4.296 ( -1.830 1.503 -2.918) 3.758 4.600 ( 4.406 -10.888 -7.853) 14.129 4.600 ( 4.406 10.888 -7.853) 14.129 4.653 ( 0.091 -9.031 -5.374) 10.510 4.653 ( 0.091 9.031 -5.374) 10.510 5.230 ( 4.811 -2.873 -1.418) 5.781 5.230 ( 4.811 2.873 -1.418) 5.781 5.290 ( -0.891 -2.670 -0.577) 2.873 5.290 ( -0.891 2.670 -0.577) 2.873 5.609 ( 4.335 -4.018 5.914) 8.362 5.609 ( 4.335 4.018 5.914) 8.362 5.725 ( -5.820 -3.265 5.830) 8.861 5.725 ( -5.820 3.265 5.830) 8.861 6.011 ( 0.150 -1.106 -6.832) 6.923 6.011 ( 0.150 1.106 -6.832) 6.923 6.049 ( -2.620 -1.854 5.341) 6.231 6.049 ( -2.620 1.854 5.341) 6.231 6.276 ( 1.097 -0.347 -7.563) 7.650 6.276 ( 1.097 0.347 -7.563) 7.650 6.571 ( -0.968 -0.311 -2.059) 2.296 6.571 ( -0.968 0.311 -2.059) 2.296 8.198 ( -4.769 -0.778 2.425) 5.406 8.198 ( -4.769 0.778 2.425) 5.406 9.311 ( -1.104 -2.484 -3.660) 4.559 9.311 ( -1.104 2.484 -3.660) 4.559======================= Grid point 210 (73/84) =======================q-point: ( 0.00 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.374 ( 0.000 0.000 -1.284) 1.284 2.567 ( 0.000 0.000 -1.656) 1.656 2.619 ( 0.000 0.000 9.683) 9.683 2.749 ( 0.000 0.000 4.414) 4.414 2.829 ( 0.000 0.000 11.721) 11.721 2.938 ( 0.000 0.000 3.167) 3.167 3.065 ( 0.000 0.000 -4.326) 4.326 3.117 ( 0.000 0.000 10.326) 10.326 3.394 ( 0.000 0.000 -0.248) 0.248 3.431 ( 0.000 0.000 -14.314) 14.314 3.564 ( 0.000 0.000 -7.637) 7.637 3.647 ( 0.000 0.000 4.273) 4.273 3.765 ( 0.000 0.000 10.146) 10.146 3.841 ( 0.000 0.000 8.254) 8.254 3.849 ( 0.000 0.000 0.215) 0.215 3.943 ( 0.000 0.000 0.885) 0.885 4.257 ( 0.000 0.000 -12.585) 12.585 4.359 ( 0.000 0.000 -0.313) 0.313 4.377 ( 0.000 0.000 7.309) 7.309 4.528 ( 0.000 0.000 -7.749) 7.749 4.583 ( 0.000 0.000 -2.073) 2.073 4.604 ( 0.000 0.000 -9.247) 9.247 4.686 ( 0.000 0.000 12.146) 12.146 4.725 ( 0.000 0.000 -14.579) 14.579 4.915 ( 0.000 0.000 -4.311) 4.311 5.349 ( 0.000 0.000 1.871) 1.871 5.680 ( 0.000 0.000 16.241) 16.241 5.759 ( 0.000 0.000 -1.510) 1.510 5.821 ( 0.000 0.000 -2.843) 2.843 5.965 ( 0.000 0.000 -0.712) 0.712 6.056 ( 0.000 0.000 1.714) 1.714 6.102 ( 0.000 0.000 -9.936) 9.936 6.161 ( 0.000 0.000 7.606) 7.606 6.192 ( 0.000 0.000 2.397) 2.397 6.267 ( 0.000 0.000 1.998) 1.998 6.500 ( 0.000 0.000 5.908) 5.908 6.581 ( 0.000 0.000 -1.755) 1.755 6.671 ( 0.000 0.000 -1.169) 1.169 8.604 ( 0.000 0.000 -3.828) 3.828 8.710 ( 0.000 0.000 0.624) 0.624 9.023 ( 0.000 0.000 -0.890) 0.890 9.590 ( 0.000 0.000 -1.314) 1.314======================= Grid point 211 (74/84) =======================q-point: ( 0.14 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( 7.225 0.000 -1.280) 7.338 2.583 ( -3.561 0.000 6.377) 7.304 2.610 ( 3.843 0.000 -0.094) 3.844 2.740 ( -0.846 0.000 2.356) 2.503 2.858 ( 2.687 0.000 9.926) 10.283 2.996 ( 5.106 0.000 4.732) 6.961 3.047 ( -0.983 0.000 -0.148) 0.994 3.142 ( 2.266 0.000 10.742) 10.978 3.440 ( 0.856 0.000 -11.900) 11.930 3.458 ( 5.319 0.000 -0.384) 5.333 3.605 ( 4.015 0.000 -5.285) 6.637 3.661 ( 0.848 0.000 0.980) 1.296 3.756 ( -1.285 0.000 8.716) 8.811 3.818 ( -1.537 0.000 3.369) 3.703 3.873 ( 2.705 0.000 10.326) 10.674 4.014 ( 5.327 0.000 -3.191) 6.210 4.301 ( 3.236 0.000 -8.237) 8.849 4.309 ( -12.516 0.000 -0.215) 12.518 4.389 ( 1.091 0.000 8.929) 8.995 4.393 ( 3.135 0.000 -2.657) 4.109 4.573 ( -2.766 0.000 -8.377) 8.821 4.598 ( 0.713 0.000 -10.777) 10.801 4.657 ( -3.499 0.000 -9.329) 9.964 4.828 ( 8.010 0.000 -1.354) 8.124 5.083 ( 11.999 0.000 0.851) 12.029 5.386 ( 3.159 0.000 2.003) 3.741 5.708 ( 2.562 0.000 15.849) 16.055 5.761 ( 0.045 0.000 -1.436) 1.437 5.764 ( -4.104 0.000 -4.321) 5.959 6.000 ( 1.477 0.000 -0.870) 1.714 6.025 ( -2.909 0.000 2.712) 3.977 6.091 ( -0.514 0.000 -6.155) 6.176 6.143 ( -1.425 0.000 4.346) 4.574 6.150 ( -3.737 0.000 1.715) 4.112 6.212 ( -4.495 0.000 1.359) 4.696 6.481 ( -2.127 0.000 5.688) 6.073 6.588 ( 0.409 0.000 -1.490) 1.545 6.632 ( -3.390 0.000 -1.565) 3.734 8.524 ( -7.188 0.000 -2.999) 7.789 8.626 ( -7.665 0.000 0.733) 7.700 9.042 ( 1.798 0.000 -0.977) 2.047 9.552 ( -3.553 0.000 -1.413) 3.824======================= Grid point 212 (75/84) =======================q-point: ( 0.29 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 12.601 0.000 -1.175) 12.656 2.461 ( -8.477 0.000 1.768) 8.659 2.700 ( 3.982 0.000 3.204) 5.111 2.725 ( -0.169 0.000 0.140) 0.219 2.929 ( 3.763 0.000 6.067) 7.140 3.031 ( -0.273 0.000 4.808) 4.816 3.136 ( 7.438 0.000 7.664) 10.680 3.206 ( 3.864 0.000 12.048) 12.653 3.468 ( 1.941 0.000 -7.653) 7.895 3.564 ( 3.198 0.000 2.510) 4.065 3.660 ( -1.265 0.000 -4.098) 4.289 3.681 ( -1.764 0.000 -4.483) 4.817 3.737 ( 5.134 0.000 8.585) 10.003 3.830 ( 1.973 0.000 0.712) 2.097 3.926 ( 1.201 0.000 13.819) 13.871 4.080 ( -8.392 0.000 0.595) 8.413 4.108 ( 3.319 0.000 -5.963) 6.825 4.362 ( 2.792 0.000 2.058) 3.469 4.406 ( -0.598 0.000 5.025) 5.061 4.473 ( 4.529 0.000 -4.085) 6.099 4.497 ( -4.061 0.000 -11.536) 12.230 4.618 ( 0.145 0.000 -1.597) 1.604 4.700 ( 9.008 0.000 -17.268) 19.476 4.975 ( 5.712 0.000 -10.885) 12.293 5.316 ( 9.275 0.000 8.200) 12.380 5.461 ( 3.544 0.000 2.834) 4.538 5.688 ( -2.644 0.000 -6.231) 6.768 5.750 ( -1.379 0.000 -0.962) 1.682 5.771 ( 2.818 0.000 14.033) 14.313 5.936 ( -5.529 0.000 5.793) 8.008 5.978 ( -2.606 0.000 -2.164) 3.388 6.060 ( -4.306 0.000 -0.690) 4.361 6.100 ( 0.456 0.000 1.656) 1.717 6.119 ( -3.533 0.000 -0.059) 3.533 6.126 ( 0.504 0.000 -2.853) 2.897 6.407 ( -4.842 0.000 4.661) 6.721 6.557 ( -3.015 0.000 -1.973) 3.603 6.586 ( -0.745 0.000 -0.877) 1.150 8.342 ( -9.149 0.000 -1.130) 9.219 8.424 ( -10.701 0.000 0.952) 10.743 9.098 ( 3.657 0.000 -1.135) 3.829 9.451 ( -5.927 0.000 -1.528) 6.121======================= Grid point 213 (76/84) =======================q-point: ( 0.43 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 138Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( 14.395 0.000 -0.967) 14.427 2.236 ( -12.767 0.000 -0.370) 12.772 2.738 ( 1.159 0.000 1.137) 1.623 2.750 ( 0.624 0.000 3.747) 3.798 2.995 ( 2.243 0.000 4.631) 5.145 3.023 ( -0.688 0.000 5.736) 5.778 3.277 ( 4.851 0.000 13.365) 14.218 3.288 ( 3.119 0.000 14.424) 14.757 3.530 ( 3.911 0.000 -1.867) 4.334 3.558 ( -1.213 0.000 -2.450) 2.733 3.607 ( -3.067 0.000 -8.192) 8.747 3.640 ( -3.360 0.000 -0.029) 3.360 3.820 ( 2.412 0.000 -2.243) 3.294 3.879 ( -3.732 0.000 2.889) 4.720 3.912 ( 5.156 0.000 8.055) 9.563 3.992 ( -2.390 0.000 10.638) 10.903 4.196 ( 6.044 0.000 -6.847) 9.133 4.334 ( -6.043 0.000 -5.687) 8.298 4.404 ( 1.156 0.000 0.124) 1.162 4.429 ( -1.913 0.000 -6.123) 6.415 4.584 ( 5.051 0.000 2.999) 5.874 4.637 ( 0.100 0.000 5.934) 5.935 4.905 ( 9.093 0.000 -21.579) 23.416 5.027 ( -1.711 0.000 -19.682) 19.756 5.460 ( 5.113 0.000 10.598) 11.767 5.512 ( 0.653 0.000 5.670) 5.707 5.660 ( -0.108 0.000 -2.692) 2.695 5.697 ( -3.344 0.000 0.301) 3.358 5.802 ( 0.359 0.000 9.385) 9.392 5.831 ( -3.398 0.000 7.229) 7.988 5.947 ( 0.159 0.000 -4.188) 4.192 5.981 ( -2.993 0.000 -3.791) 4.830 6.089 ( 0.304 0.000 -0.060) 0.310 6.104 ( -0.478 0.000 1.107) 1.205 6.169 ( 4.278 0.000 -0.648) 4.326 6.288 ( -6.294 0.000 2.955) 6.953 6.530 ( 0.433 0.000 -1.415) 1.480 6.558 ( -1.737 0.000 -0.802) 1.913 8.201 ( -3.211 0.000 0.510) 3.251 8.234 ( -6.253 0.000 1.077) 6.345 9.193 ( 5.426 0.000 -1.314) 5.583 9.319 ( -6.460 0.000 -1.477) 6.627======================= Grid point 217 (77/84) =======================q-point: ( 0.00 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.530 ( 0.000 13.700 -0.532) 13.710 2.301 ( 0.000 -17.761 1.236) 17.804 2.664 ( 0.000 0.786 7.182) 7.225 2.718 ( 0.000 -2.006 6.833) 7.121 2.881 ( 0.000 3.933 8.569) 9.429 3.022 ( 0.000 3.037 4.561) 5.480 3.050 ( 0.000 0.478 -3.518) 3.550 3.142 ( 0.000 1.263 8.379) 8.474 3.341 ( 0.000 0.314 -5.064) 5.074 3.551 ( 0.000 6.533 -5.615) 8.615 3.627 ( 0.000 5.560 -6.992) 8.933 3.636 ( 0.000 -7.027 6.789) 9.771 3.685 ( 0.000 0.025 4.705) 4.705 3.824 ( 0.000 -2.592 2.638) 3.698 3.831 ( 0.000 -1.632 -0.589) 1.735 3.889 ( 0.000 -4.349 -0.959) 4.453 4.268 ( 0.000 1.080 -5.630) 5.733 4.332 ( 0.000 -1.585 2.859) 3.270 4.402 ( 0.000 1.530 3.195) 3.542 4.525 ( 0.000 -3.340 -4.826) 5.869 4.563 ( 0.000 0.753 -9.427) 9.457 4.598 ( 0.000 0.899 -2.638) 2.787 4.740 ( 0.000 1.660 -13.538) 13.640 4.766 ( 0.000 4.661 5.479) 7.193 4.964 ( 0.000 4.159 0.543) 4.194 5.267 ( 0.000 -6.799 4.859) 8.357 5.727 ( 0.000 3.491 14.540) 14.953 5.746 ( 0.000 0.328 -2.909) 2.927 5.845 ( 0.000 0.923 0.643) 1.125 5.912 ( 0.000 -3.629 -0.274) 3.640 6.052 ( 0.000 -4.706 1.969) 5.101 6.056 ( 0.000 -3.121 -11.292) 11.715 6.120 ( 0.000 4.046 1.586) 4.345 6.258 ( 0.000 -1.149 2.033) 2.335 6.307 ( 0.000 5.662 5.182) 7.675 6.480 ( 0.000 -2.029 5.891) 6.231 6.585 ( 0.000 0.358 -2.048) 2.079 6.639 ( 0.000 -2.367 -1.967) 3.078 8.611 ( 0.000 0.898 -1.545) 1.787 8.690 ( 0.000 -1.769 0.774) 1.931 9.129 ( 0.000 8.866 -2.106) 9.113 9.522 ( 0.000 -6.207 -1.735) 6.445======================= Grid point 218 (78/84) =======================q-point: ( 0.14 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.594 ( 6.104 12.691 -0.548) 14.093 2.321 ( 1.635 -16.976 1.936) 17.165 2.660 ( -0.496 0.815 4.296) 4.400 2.719 ( 0.052 -1.841 4.734) 5.079 2.894 ( 1.134 2.705 6.997) 7.587 3.009 ( -2.074 -2.412 0.859) 3.295 3.088 ( 4.990 5.885 4.490) 8.928 3.196 ( 4.238 2.604 10.011) 11.178 3.381 ( 3.588 -0.084 -4.905) 6.078 3.572 ( 1.092 5.890 -3.642) 7.010 3.634 ( 1.807 0.379 -4.965) 5.297 3.656 ( 1.385 -3.479 9.558) 10.265 3.715 ( 1.815 1.562 3.261) 4.046 3.782 ( -0.769 -2.761 0.967) 3.025 3.870 ( 2.723 -0.545 3.025) 4.106 3.991 ( 6.758 -2.644 -7.580) 10.494 4.263 ( -2.737 -0.586 0.712) 2.888 4.296 ( -2.893 -2.224 5.415) 6.530 4.396 ( -2.239 3.014 -6.804) 7.771 4.450 ( 1.248 2.268 3.629) 4.457 4.540 ( -1.279 -2.727 -8.786) 9.288 4.592 ( -1.774 -1.253 -7.791) 8.088 4.712 ( -1.254 4.500 -10.388) 11.390 4.837 ( 5.333 0.238 -2.787) 6.022 5.113 ( 10.889 2.889 3.286) 11.735 5.327 ( 4.886 -4.926 4.512) 8.276 5.721 ( -1.275 0.168 3.940) 4.145 5.750 ( 0.578 1.992 6.695) 7.009 5.801 ( -2.254 1.188 -0.474) 2.592 5.933 ( 0.000 -3.959 2.638) 4.758 6.023 ( -1.538 -3.397 -5.150) 6.359 6.042 ( -1.851 -2.670 -3.125) 4.508 6.110 ( -0.584 2.810 0.241) 2.880 6.225 ( -2.868 -0.012 0.694) 2.951 6.269 ( -3.410 5.725 4.982) 8.320 6.455 ( -2.478 -2.416 5.662) 6.636 6.581 ( -0.682 -0.322 -2.005) 2.142 6.615 ( -1.766 -1.252 -1.736) 2.775 8.533 ( -7.045 0.973 -1.307) 7.231 8.608 ( -7.467 -1.601 0.691) 7.668 9.134 ( 0.604 7.854 -1.755) 8.070 9.490 ( -2.993 -5.674 -1.701) 6.637======================= Grid point 219 (79/84) =======================q-point: ( 0.29 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.775 ( 10.834 10.065 -0.573) 14.799 2.341 ( -0.945 -11.374 1.800) 11.554 2.640 ( -0.893 -0.959 1.364) 1.892 2.722 ( 0.061 -2.207 2.251) 3.153 2.926 ( 1.871 -0.222 4.582) 4.954 2.976 ( -0.807 -3.301 3.600) 4.950 3.216 ( 6.467 6.130 9.588) 13.090 3.298 ( 5.407 4.904 10.989) 13.192 3.467 ( 3.957 1.123 -3.291) 5.268 3.583 ( 0.108 1.957 -1.053) 2.225 3.657 ( -0.261 -2.474 0.910) 2.649 3.673 ( -1.863 -0.220 4.215) 4.613 3.757 ( 3.628 1.064 6.667) 7.664 3.808 ( 2.416 -1.958 1.968) 3.680 3.922 ( 1.463 1.542 0.742) 2.252 4.087 ( 0.618 0.186 -9.775) 9.796 4.165 ( -1.623 2.612 -1.030) 3.243 4.275 ( -0.726 -3.336 3.920) 5.198 4.400 ( 2.823 0.724 3.390) 4.471 4.476 ( -2.881 -1.355 -8.012) 8.622 4.528 ( 4.131 1.067 -0.118) 4.268 4.624 ( 2.298 -1.915 -2.666) 4.007 4.722 ( 4.171 4.275 -16.677) 17.715 4.942 ( 4.056 -3.302 -12.579) 13.623 5.323 ( 8.139 1.002 7.217) 10.924 5.430 ( 4.210 -2.608 4.613) 6.768 5.672 ( -2.491 -0.546 -2.543) 3.601 5.743 ( -2.003 -1.203 2.758) 3.615 5.793 ( 1.092 1.946 7.082) 7.425 5.898 ( -2.532 -2.625 4.828) 6.051 5.972 ( -2.688 -0.282 -4.652) 5.380 6.021 ( -0.356 -2.411 -0.453) 2.479 6.108 ( 0.224 1.105 0.046) 1.128 6.164 ( -2.331 1.337 -1.461) 3.059 6.182 ( -4.197 5.006 2.348) 6.942 6.377 ( -4.942 -2.838 4.688) 7.379 6.548 ( -1.824 -0.080 -1.939) 2.664 6.586 ( -1.266 -0.439 -0.896) 1.612 8.352 ( -9.191 0.975 -0.505) 9.257 8.411 ( -10.354 -1.124 0.629) 10.434 9.159 ( 1.875 5.239 -1.314) 5.717 9.406 ( -4.788 -4.046 -1.564) 6.461======================= Grid point 220 (80/84) =======================q-point: ( 0.43 0.25 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( 11.975 6.166 -0.694) 13.487 2.241 ( -8.517 -0.398 -0.354) 8.534 2.656 ( 2.349 -4.866 3.035) 6.197 2.706 ( -1.785 -4.261 3.082) 5.553 2.959 ( 1.137 -2.396 3.054) 4.045 2.972 ( -0.050 -3.212 3.015) 4.406 3.337 ( 5.279 5.261 13.589) 15.499 3.394 ( 1.899 6.707 13.178) 14.907 3.523 ( 1.452 -0.803 0.756) 1.823 3.571 ( -2.221 0.089 3.863) 4.457 3.607 ( -0.831 0.247 -4.470) 4.553 3.641 ( -1.666 0.791 -2.683) 3.256 3.819 ( 1.915 -0.947 6.242) 6.597 3.840 ( 0.060 -2.913 10.151) 10.561 3.965 ( 3.465 3.954 -2.957) 6.032 4.041 ( -3.421 4.993 -3.557) 7.021 4.199 ( 2.652 -2.052 -9.551) 10.122 4.247 ( -1.975 -3.594 -2.083) 4.600 4.439 ( 1.475 1.643 -0.016) 2.208 4.473 ( -0.089 2.979 2.564) 3.931 4.601 ( 3.188 0.982 -0.241) 3.345 4.641 ( -0.096 0.094 4.223) 4.225 4.870 ( 7.481 -2.239 -21.020) 22.424 4.973 ( -1.717 -4.556 -20.058) 20.641 5.440 ( 3.552 -1.243 7.998) 8.839 5.479 ( 0.163 -2.524 6.139) 6.639 5.645 ( 0.352 -0.490 -1.433) 1.555 5.686 ( -2.951 -1.110 -0.469) 3.188 5.806 ( 0.438 0.369 5.788) 5.816 5.839 ( -2.796 -0.393 5.219) 5.934 5.958 ( 1.541 1.763 -2.091) 3.139 6.008 ( -2.041 1.923 2.686) 3.883 6.114 ( 0.551 1.627 0.175) 1.727 6.122 ( -0.288 1.254 1.733) 2.158 6.165 ( 2.015 0.041 -3.604) 4.129 6.259 ( -5.912 -2.601 2.420) 6.898 6.531 ( 0.357 0.230 -1.167) 1.242 6.555 ( -1.629 -0.356 -0.688) 1.804 8.207 ( -3.584 0.519 0.364) 3.639 8.231 ( -5.774 -0.349 0.666) 5.823 9.215 ( 3.549 1.888 -1.215) 4.199 9.303 ( -4.836 -1.406 -1.355) 5.215======================= Grid point 224 (81/84) =======================q-point: ( 0.00 -0.50 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( 0.000 -19.377 0.656) 19.388 1.895 ( 0.000 19.377 0.656) 19.388 2.682 ( 0.000 -1.235 7.374) 7.477 2.682 ( 0.000 1.235 7.374) 7.477 2.971 ( 0.000 -4.094 4.496) 6.080 2.971 ( 0.000 4.094 4.496) 6.080 3.125 ( 0.000 -2.770 3.270) 4.286 3.125 ( 0.000 2.770 3.270) 4.286 3.445 ( 0.000 -8.409 0.330) 8.416 3.445 ( 0.000 8.409 0.330) 8.416 3.674 ( 0.000 -4.150 4.526) 6.140 3.674 ( 0.000 4.150 4.526) 6.140 3.759 ( 0.000 -4.992 -5.576) 7.484 3.759 ( 0.000 4.992 -5.576) 7.484 3.799 ( 0.000 -0.559 -3.867) 3.907 3.799 ( 0.000 0.559 -3.867) 3.907 4.298 ( 0.000 -1.581 1.514) 2.189 4.298 ( 0.000 1.581 1.514) 2.189 4.447 ( 0.000 -2.948 -1.005) 3.115 4.447 ( 0.000 2.948 -1.005) 3.115 4.596 ( 0.000 -1.176 -6.358) 6.465 4.596 ( 0.000 1.176 -6.358) 6.465 4.791 ( 0.000 -2.113 -6.841) 7.160 4.791 ( 0.000 2.113 -6.841) 7.160 5.100 ( 0.000 -8.167 7.351) 10.988 5.100 ( 0.000 8.167 7.351) 10.988 5.779 ( 0.000 -0.530 6.146) 6.168 5.779 ( 0.000 0.530 6.146) 6.168 5.846 ( 0.000 -0.811 2.415) 2.547 5.846 ( 0.000 0.811 2.415) 2.547 6.006 ( 0.000 -0.633 -8.650) 8.673 6.006 ( 0.000 0.633 -8.650) 8.673 6.207 ( 0.000 -3.620 1.848) 4.064 6.207 ( 0.000 3.620 1.848) 4.064 6.413 ( 0.000 -4.193 5.652) 7.037 6.413 ( 0.000 4.193 5.652) 7.037 6.599 ( 0.000 -1.154 -2.436) 2.695 6.599 ( 0.000 1.154 -2.436) 2.695 8.645 ( 0.000 -2.157 0.534) 2.222 8.645 ( 0.000 2.157 0.534) 2.222 9.343 ( 0.000 -10.159 -2.474) 10.456 9.343 ( 0.000 10.159 -2.474) 10.456======================= Grid point 226 (82/84) =======================q-point: ( 0.14 -0.50 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 3.861 -18.266 0.773) 18.686 1.936 ( 3.861 18.266 0.773) 18.686 2.681 ( -0.213 -1.451 5.182) 5.385 2.681 ( -0.213 1.451 5.182) 5.385 2.954 ( -1.380 -2.791 3.096) 4.391 2.954 ( -1.380 2.791 3.096) 4.391 3.185 ( 5.404 -3.049 5.726) 8.443 3.185 ( 5.404 3.049 5.726) 8.443 3.477 ( 2.981 -7.786 2.929) 8.837 3.477 ( 2.981 7.786 2.929) 8.837 3.696 ( -0.948 -3.701 -1.604) 4.143 3.696 ( -0.948 3.701 -1.604) 4.143 3.714 ( 1.357 -1.633 5.711) 6.093 3.714 ( 1.357 1.633 5.711) 6.093 3.907 ( 6.342 -4.241 -10.529) 13.003 3.907 ( 6.342 4.241 -10.529) 13.003 4.270 ( -2.376 -0.724 6.080) 6.568 4.270 ( -2.376 0.724 6.080) 6.568 4.451 ( 0.294 -2.323 -5.990) 6.432 4.451 ( 0.294 2.323 -5.990) 6.432 4.542 ( -3.055 -2.944 -2.995) 5.193 4.542 ( -3.055 2.944 -2.995) 5.193 4.804 ( 1.334 -3.492 -8.800) 9.561 4.804 ( 1.334 3.492 -8.800) 9.561 5.207 ( 8.234 -5.679 6.338) 11.841 5.207 ( 8.234 5.679 6.338) 11.841 5.752 ( -2.345 -2.144 4.779) 5.739 5.752 ( -2.345 2.144 4.779) 5.739 5.849 ( 0.111 -3.712 3.259) 4.941 5.849 ( 0.111 3.712 3.259) 4.941 5.993 ( -0.948 -0.925 -7.248) 7.368 5.993 ( -0.948 0.925 -7.248) 7.368 6.186 ( -1.789 -3.341 0.854) 3.885 6.186 ( -1.789 3.341 0.854) 3.885 6.380 ( -3.062 -4.526 5.458) 7.723 6.380 ( -3.062 4.526 5.458) 7.723 6.589 ( -0.918 -1.058 -2.123) 2.543 6.589 ( -0.918 1.058 -2.123) 2.543 8.567 ( -7.136 -2.028 0.376) 7.428 8.567 ( -7.136 2.028 0.376) 7.428 9.326 ( -1.451 -9.220 -2.142) 9.576 9.326 ( -1.451 9.220 -2.142) 9.576======================= Grid point 228 (83/84) =======================q-point: ( 0.29 -0.50 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.048 ( 6.467 -14.597 0.691) 15.981 2.048 ( 6.467 14.597 0.691) 15.981 2.664 ( -1.623 -2.530 2.023) 3.623 2.664 ( -1.623 2.530 2.023) 3.623 2.930 ( -0.569 -0.949 3.181) 3.368 2.930 ( -0.569 0.949 3.181) 3.368 3.320 ( 6.722 -2.707 8.523) 11.187 3.320 ( 6.722 2.707 8.523) 11.187 3.555 ( 3.997 -5.945 5.472) 9.014 3.555 ( 3.997 5.945 5.472) 9.014 3.642 ( -3.557 -3.018 0.899) 4.751 3.642 ( -3.557 3.018 0.899) 4.751 3.771 ( 2.301 -1.230 6.560) 7.060 3.771 ( 2.301 1.230 6.560) 7.060 4.011 ( 3.346 -5.681 -13.240) 14.790 4.011 ( 3.346 5.681 -13.240) 14.790 4.233 ( -1.254 -3.529 4.959) 6.214 4.233 ( -1.254 3.529 4.959) 6.214 4.437 ( -0.028 -2.318 -7.181) 7.546 4.437 ( -0.028 2.318 -7.181) 7.546 4.559 ( 3.806 -2.682 3.817) 6.020 4.559 ( 3.806 2.682 3.817) 6.020 4.841 ( 1.961 -5.773 -15.672) 16.816 4.841 ( 1.961 5.773 -15.672) 16.816 5.366 ( 5.881 -2.910 5.969) 8.871 5.366 ( 5.881 2.910 5.969) 8.871 5.695 ( -2.678 -2.502 1.855) 4.108 5.695 ( -2.678 2.502 1.855) 4.108 5.845 ( -0.601 -2.645 4.680) 5.409 5.845 ( -0.601 2.645 4.680) 5.409 5.977 ( -0.194 -1.364 -3.412) 3.679 5.977 ( -0.194 1.364 -3.412) 3.679 6.151 ( -1.031 -2.088 -1.077) 2.566 6.151 ( -1.031 2.088 -1.077) 2.566 6.292 ( -5.102 -4.896 4.356) 8.305 6.292 ( -5.102 4.896 4.356) 8.305 6.564 ( -1.287 -1.353 -1.375) 2.319 6.564 ( -1.287 1.353 -1.375) 2.319 8.381 ( -9.633 -1.589 0.208) 9.765 8.381 ( -9.633 1.589 0.208) 9.765 9.290 ( -1.759 -6.457 -1.545) 6.869 9.290 ( -1.759 6.457 -1.545) 6.869======================= Grid point 230 (84/84) =======================q-point: ( 0.43 -0.50 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 137Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.169 ( 3.967 -6.515 -0.336) 7.635 2.169 ( 3.967 6.515 -0.336) 7.635 2.621 ( -1.746 -2.220 3.284) 4.331 2.621 ( -1.746 2.220 3.284) 4.331 2.931 ( 0.324 -0.248 1.721) 1.769 2.931 ( 0.324 0.248 1.721) 1.769 3.442 ( 4.936 -3.477 9.465) 11.227 3.442 ( 4.936 3.477 9.465) 11.227 3.539 ( -4.728 -2.686 6.862) 8.755 3.539 ( -4.728 2.686 6.862) 8.755 3.639 ( 2.444 -2.010 0.087) 3.166 3.639 ( 2.444 2.010 0.087) 3.166 3.795 ( 0.199 -0.263 10.512) 10.517 3.795 ( 0.199 0.263 10.512) 10.517 4.071 ( 2.692 -4.999 -12.801) 14.004 4.071 ( 2.692 4.999 -12.801) 14.004 4.181 ( -3.145 -4.045 -3.158) 6.019 4.181 ( -3.145 4.045 -3.158) 6.019 4.492 ( 3.570 -1.864 3.968) 5.654 4.492 ( 3.570 1.864 3.968) 5.654 4.621 ( 1.138 -1.499 1.603) 2.472 4.621 ( 1.138 1.499 1.603) 2.472 4.876 ( 1.151 -3.321 -20.941) 21.234 4.876 ( 1.151 3.321 -20.941) 21.234 5.435 ( 1.170 -1.064 5.930) 6.138 5.435 ( 1.170 1.064 5.930) 6.138 5.656 ( -0.905 -1.354 -0.809) 1.818 5.656 ( -0.905 1.354 -0.809) 1.818 5.819 ( -1.390 -1.029 3.308) 3.733 5.819 ( -1.390 1.029 3.308) 3.733 6.008 ( 2.713 -2.130 3.604) 4.989 6.008 ( 2.713 2.130 3.604) 4.989 6.141 ( -0.745 -0.502 1.021) 1.360 6.141 ( -0.745 0.502 1.021) 1.360 6.192 ( -3.353 -3.013 -1.457) 4.738 6.192 ( -3.353 3.013 -1.457) 4.738 6.542 ( -0.670 -0.741 -0.741) 1.244 6.542 ( -0.670 0.741 -0.741) 1.244 8.220 ( -4.625 -0.643 0.241) 4.675 8.220 ( -4.625 0.643 0.241) 4.675 9.262 ( -0.770 -2.320 -1.178) 2.713 9.262 ( -0.770 2.320 -1.178) 2.713=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/15288 10.0 221.588 236.340 446.230 0.000 0.000 0.000 3/15288 20.0 45.937 57.855 94.148 0.000 0.000 0.000 3/15288 30.0 16.629 20.822 35.257 0.000 0.000 0.000 3/15288 40.0 8.717 10.590 19.028 0.000 0.000 0.000 3/15288 50.0 5.680 6.623 12.588 0.000 0.000 0.000 3/15288 60.0 4.200 4.710 9.387 0.000 0.000 0.000 3/15288 70.0 3.350 3.635 7.536 0.000 0.000 0.000 3/15288 80.0 2.804 2.961 6.343 0.000 0.000 0.000 3/15288 90.0 2.423 2.504 5.512 0.000 0.000 0.000 3/15288 100.0 2.140 2.175 4.896 0.000 0.000 0.000 3/15288 110.0 1.922 1.927 4.419 0.000 0.000 0.000 3/15288 120.0 1.747 1.733 4.036 0.000 0.000 0.000 3/15288 130.0 1.604 1.576 3.721 0.000 0.000 0.000 3/15288 140.0 1.484 1.448 3.455 0.000 0.000 0.000 3/15288 150.0 1.381 1.340 3.227 0.000 0.000 0.000 3/15288 160.0 1.292 1.248 3.029 0.000 0.000 0.000 3/15288 170.0 1.215 1.168 2.855 0.000 0.000 0.000 3/15288 180.0 1.146 1.099 2.701 0.000 0.000 0.000 3/15288 190.0 1.086 1.037 2.563 0.000 0.000 0.000 3/15288 200.0 1.031 0.983 2.438 0.000 0.000 0.000 3/15288 210.0 0.982 0.934 2.326 0.000 0.000 0.000 3/15288 220.0 0.937 0.890 2.224 0.000 0.000 0.000 3/15288 230.0 0.896 0.850 2.130 0.000 0.000 0.000 3/15288 240.0 0.859 0.813 2.044 0.000 0.000 0.000 3/15288 250.0 0.825 0.780 1.965 0.000 0.000 0.000 3/15288 260.0 0.793 0.749 1.892 0.000 0.000 0.000 3/15288 270.0 0.764 0.721 1.824 0.000 0.000 0.000 3/15288 280.0 0.737 0.695 1.760 0.000 0.000 0.000 3/15288 290.0 0.712 0.670 1.702 0.000 0.000 0.000 3/15288 300.0 0.688 0.648 1.646 0.000 0.000 0.000 3/15288 310.0 0.666 0.627 1.595 0.000 0.000 0.000 3/15288 320.0 0.646 0.607 1.546 0.000 0.000 0.000 3/15288 330.0 0.626 0.588 1.500 0.000 0.000 0.000 3/15288 340.0 0.608 0.571 1.457 0.000 0.000 0.000 3/15288 350.0 0.591 0.555 1.417 0.000 0.000 0.000 3/15288 360.0 0.574 0.539 1.378 0.000 0.000 0.000 3/15288 370.0 0.559 0.524 1.342 0.000 0.000 0.000 3/15288 380.0 0.544 0.511 1.307 0.000 0.000 0.000 3/15288 390.0 0.530 0.497 1.275 0.000 0.000 0.000 3/15288 400.0 0.517 0.485 1.243 0.000 0.000 0.000 3/15288 410.0 0.505 0.473 1.214 0.000 0.000 0.000 3/15288 420.0 0.493 0.462 1.185 0.000 0.000 0.000 3/15288 430.0 0.481 0.451 1.158 0.000 0.000 0.000 3/15288 440.0 0.471 0.441 1.132 0.000 0.000 0.000 3/15288 450.0 0.460 0.431 1.108 0.000 0.000 0.000 3/15288 460.0 0.450 0.422 1.084 0.000 0.000 0.000 3/15288 470.0 0.441 0.413 1.061 0.000 0.000 0.000 3/15288 480.0 0.432 0.404 1.040 0.000 0.000 0.000 3/15288 490.0 0.423 0.396 1.019 0.000 0.000 0.000 3/15288 500.0 0.415 0.388 0.999 0.000 0.000 0.000 3/15288 510.0 0.406 0.380 0.979 0.000 0.000 0.000 3/15288 520.0 0.399 0.373 0.961 0.000 0.000 0.000 3/15288 530.0 0.391 0.366 0.943 0.000 0.000 0.000 3/15288 540.0 0.384 0.359 0.926 0.000 0.000 0.000 3/15288 550.0 0.377 0.353 0.909 0.000 0.000 0.000 3/15288 560.0 0.370 0.346 0.893 0.000 0.000 0.000 3/15288 570.0 0.364 0.340 0.878 0.000 0.000 0.000 3/15288 580.0 0.358 0.334 0.863 0.000 0.000 0.000 3/15288 590.0 0.352 0.329 0.848 0.000 0.000 0.000 3/15288 600.0 0.346 0.323 0.834 0.000 0.000 0.000 3/15288 610.0 0.340 0.318 0.821 0.000 0.000 0.000 3/15288 620.0 0.335 0.313 0.808 0.000 0.000 0.000 3/15288 630.0 0.329 0.308 0.795 0.000 0.000 0.000 3/15288 640.0 0.324 0.303 0.783 0.000 0.000 0.000 3/15288 650.0 0.319 0.298 0.771 0.000 0.000 0.000 3/15288 660.0 0.315 0.294 0.759 0.000 0.000 0.000 3/15288 670.0 0.310 0.290 0.748 0.000 0.000 0.000 3/15288 680.0 0.305 0.285 0.737 0.000 0.000 0.000 3/15288 690.0 0.301 0.281 0.727 0.000 0.000 0.000 3/15288 700.0 0.297 0.277 0.717 0.000 0.000 0.000 3/15288 710.0 0.293 0.273 0.707 0.000 0.000 0.000 3/15288 720.0 0.288 0.270 0.697 0.000 0.000 0.000 3/15288 730.0 0.285 0.266 0.687 0.000 0.000 0.000 3/15288 740.0 0.281 0.262 0.678 0.000 0.000 0.000 3/15288 750.0 0.277 0.259 0.669 0.000 0.000 0.000 3/15288 760.0 0.273 0.255 0.660 0.000 0.000 0.000 3/15288 770.0 0.270 0.252 0.652 0.000 0.000 0.000 3/15288 780.0 0.266 0.249 0.644 0.000 0.000 0.000 3/15288 790.0 0.263 0.246 0.636 0.000 0.000 0.000 3/15288 800.0 0.260 0.243 0.628 0.000 0.000 0.000 3/15288 810.0 0.257 0.240 0.620 0.000 0.000 0.000 3/15288 820.0 0.253 0.237 0.613 0.000 0.000 0.000 3/15288 830.0 0.250 0.234 0.605 0.000 0.000 0.000 3/15288 840.0 0.247 0.231 0.598 0.000 0.000 0.000 3/15288 850.0 0.245 0.228 0.591 0.000 0.000 0.000 3/15288 860.0 0.242 0.226 0.584 0.000 0.000 0.000 3/15288 870.0 0.239 0.223 0.578 0.000 0.000 0.000 3/15288 880.0 0.236 0.221 0.571 0.000 0.000 0.000 3/15288 890.0 0.234 0.218 0.565 0.000 0.000 0.000 3/15288 900.0 0.231 0.216 0.559 0.000 0.000 0.000 3/15288 910.0 0.228 0.213 0.552 0.000 0.000 0.000 3/15288 920.0 0.226 0.211 0.546 0.000 0.000 0.000 3/15288 930.0 0.224 0.209 0.541 0.000 0.000 0.000 3/15288 940.0 0.221 0.207 0.535 0.000 0.000 0.000 3/15288 950.0 0.219 0.204 0.529 0.000 0.000 0.000 3/15288 960.0 0.217 0.202 0.524 0.000 0.000 0.000 3/15288 970.0 0.214 0.200 0.519 0.000 0.000 0.000 3/15288 980.0 0.212 0.198 0.513 0.000 0.000 0.000 3/15288 990.0 0.210 0.196 0.508 0.000 0.000 0.000 3/15288 1000.0 0.208 0.194 0.503 0.000 0.000 0.000 3/15288Thermal conductivity related properties were written into "kappa-m7413.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:28:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|