# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/902ead91-f408-499c-b890-e89535db03e5/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 K2PtF6 / P-3m1 (164) / materials id 3821](https://mdr.nims.go.jp/datasets/60464942-d9d8-41d6-868f-96bec14ccbb6) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 19:49:19]-------------------------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 2 3] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)Number of symmetry operations in supercell: 144------------------------------ primitive cell ------------------------------Lattice vectors: a 5.808950021457468 0.000000000000000 0.000000000000000 b -2.904475010728734 5.030698287896327 0.000000000000000 c 0.000000000000000 0.000000000000000 4.638888960000000Atomic positions (fractional): *1 F 0.83615755381047 0.16384244618953 0.77494497371753 18.998 2 F 0.83615755381047 0.67231510762094 0.77494497371753 18.998 3 F 0.32768489237906 0.16384244618953 0.77494497371753 18.998 4 F 0.16384244618953 0.83615755381047 0.22505502628247 18.998 5 F 0.16384244618953 0.32768489237906 0.22505502628247 18.998 6 F 0.67231510762094 0.83615755381047 0.22505502628247 18.998 *7 K 0.66666666666667 0.33333333333333 0.28138995372391 39.098 8 K 0.33333333333333 0.66666666666667 0.71861004627609 39.098 *9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.808950021457468 0.000000000000000 0.000000000000000 b -2.904475010728734 5.030698287896327 0.000000000000000 c 0.000000000000000 0.000000000000000 4.638888960000000Atomic positions (fractional): *1 F 0.83615755381047 0.16384244618953 0.77494497371753 18.998 > 1 2 F 0.83615755381047 0.67231510762094 0.77494497371753 18.998 > 2 3 F 0.32768489237906 0.16384244618953 0.77494497371753 18.998 > 3 4 F 0.16384244618953 0.83615755381047 0.22505502628247 18.998 > 4 5 F 0.16384244618953 0.32768489237906 0.22505502628247 18.998 > 5 6 F 0.67231510762094 0.83615755381047 0.22505502628247 18.998 > 6 *7 K 0.66666666666667 0.33333333333333 0.28138995372391 39.098 > 7 8 K 0.33333333333333 0.66666666666667 0.71861004627609 39.098 > 8 *9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 9-------------------------------- super cell --------------------------------Lattice vectors: a 11.617900042914936 0.000000000000000 0.000000000000000 b -5.808950021457468 10.061396575792655 0.000000000000000 c 0.000000000000000 0.000000000000000 13.916666880000001Atomic positions (fractional): *1 F 0.41807877690523 0.08192122309477 0.25831499123918 18.998 > 1 2 F 0.91807877690523 0.08192122309477 0.25831499123918 18.998 > 1 3 F 0.41807877690523 0.58192122309477 0.25831499123918 18.998 > 1 4 F 0.91807877690523 0.58192122309477 0.25831499123918 18.998 > 1 5 F 0.41807877690523 0.08192122309477 0.59164832457251 18.998 > 1 6 F 0.91807877690523 0.08192122309477 0.59164832457251 18.998 > 1 7 F 0.41807877690523 0.58192122309477 0.59164832457251 18.998 > 1 8 F 0.91807877690523 0.58192122309477 0.59164832457251 18.998 > 1 9 F 0.41807877690523 0.08192122309477 0.92498165790584 18.998 > 1 10 F 0.91807877690523 0.08192122309477 0.92498165790584 18.998 > 1 11 F 0.41807877690523 0.58192122309477 0.92498165790584 18.998 > 1 12 F 0.91807877690523 0.58192122309477 0.92498165790584 18.998 > 1 13 F 0.41807877690523 0.33615755381047 0.25831499123918 18.998 > 2 14 F 0.91807877690523 0.33615755381047 0.25831499123918 18.998 > 2 15 F 0.41807877690523 0.83615755381047 0.25831499123918 18.998 > 2 16 F 0.91807877690523 0.83615755381047 0.25831499123918 18.998 > 2 17 F 0.41807877690523 0.33615755381047 0.59164832457251 18.998 > 2 18 F 0.91807877690523 0.33615755381047 0.59164832457251 18.998 > 2 19 F 0.41807877690523 0.83615755381047 0.59164832457251 18.998 > 2 20 F 0.91807877690523 0.83615755381047 0.59164832457251 18.998 > 2 21 F 0.41807877690523 0.33615755381047 0.92498165790584 18.998 > 2 22 F 0.91807877690523 0.33615755381047 0.92498165790584 18.998 > 2 23 F 0.41807877690523 0.83615755381047 0.92498165790584 18.998 > 2 24 F 0.91807877690523 0.83615755381047 0.92498165790584 18.998 > 2 25 F 0.16384244618953 0.08192122309477 0.25831499123918 18.998 > 3 26 F 0.66384244618953 0.08192122309477 0.25831499123918 18.998 > 3 27 F 0.16384244618953 0.58192122309477 0.25831499123918 18.998 > 3 28 F 0.66384244618953 0.58192122309477 0.25831499123918 18.998 > 3 29 F 0.16384244618953 0.08192122309477 0.59164832457251 18.998 > 3 30 F 0.66384244618953 0.08192122309477 0.59164832457251 18.998 > 3 31 F 0.16384244618953 0.58192122309477 0.59164832457251 18.998 > 3 32 F 0.66384244618953 0.58192122309477 0.59164832457251 18.998 > 3 33 F 0.16384244618953 0.08192122309477 0.92498165790584 18.998 > 3 34 F 0.66384244618953 0.08192122309477 0.92498165790584 18.998 > 3 35 F 0.16384244618953 0.58192122309477 0.92498165790584 18.998 > 3 36 F 0.66384244618953 0.58192122309477 0.92498165790584 18.998 > 3 37 F 0.08192122309477 0.41807877690523 0.07501834209416 18.998 > 4 38 F 0.58192122309477 0.41807877690523 0.07501834209416 18.998 > 4 39 F 0.08192122309477 0.91807877690523 0.07501834209416 18.998 > 4 40 F 0.58192122309477 0.91807877690523 0.07501834209416 18.998 > 4 41 F 0.08192122309477 0.41807877690523 0.40835167542749 18.998 > 4 42 F 0.58192122309477 0.41807877690523 0.40835167542749 18.998 > 4 43 F 0.08192122309477 0.91807877690523 0.40835167542749 18.998 > 4 44 F 0.58192122309477 0.91807877690523 0.40835167542749 18.998 > 4 45 F 0.08192122309477 0.41807877690523 0.74168500876082 18.998 > 4 46 F 0.58192122309477 0.41807877690523 0.74168500876082 18.998 > 4 47 F 0.08192122309477 0.91807877690523 0.74168500876082 18.998 > 4 48 F 0.58192122309477 0.91807877690523 0.74168500876082 18.998 > 4 49 F 0.08192122309477 0.16384244618953 0.07501834209416 18.998 > 5 50 F 0.58192122309477 0.16384244618953 0.07501834209416 18.998 > 5 51 F 0.08192122309477 0.66384244618953 0.07501834209416 18.998 > 5 52 F 0.58192122309477 0.66384244618953 0.07501834209416 18.998 > 5 53 F 0.08192122309477 0.16384244618953 0.40835167542749 18.998 > 5 54 F 0.58192122309477 0.16384244618953 0.40835167542749 18.998 > 5 55 F 0.08192122309477 0.66384244618953 0.40835167542749 18.998 > 5 56 F 0.58192122309477 0.66384244618953 0.40835167542749 18.998 > 5 57 F 0.08192122309477 0.16384244618953 0.74168500876082 18.998 > 5 58 F 0.58192122309477 0.16384244618953 0.74168500876082 18.998 > 5 59 F 0.08192122309477 0.66384244618953 0.74168500876082 18.998 > 5 60 F 0.58192122309477 0.66384244618953 0.74168500876082 18.998 > 5 61 F 0.33615755381047 0.41807877690523 0.07501834209416 18.998 > 6 62 F 0.83615755381047 0.41807877690523 0.07501834209416 18.998 > 6 63 F 0.33615755381047 0.91807877690523 0.07501834209416 18.998 > 6 64 F 0.83615755381047 0.91807877690523 0.07501834209416 18.998 > 6 65 F 0.33615755381047 0.41807877690523 0.40835167542749 18.998 > 6 66 F 0.83615755381047 0.41807877690523 0.40835167542749 18.998 > 6 67 F 0.33615755381047 0.91807877690523 0.40835167542749 18.998 > 6 68 F 0.83615755381047 0.91807877690523 0.40835167542749 18.998 > 6 69 F 0.33615755381047 0.41807877690523 0.74168500876082 18.998 > 6 70 F 0.83615755381047 0.41807877690523 0.74168500876082 18.998 > 6 71 F 0.33615755381047 0.91807877690523 0.74168500876082 18.998 > 6 72 F 0.83615755381047 0.91807877690523 0.74168500876082 18.998 > 6 *73 K 0.33333333333333 0.16666666666667 0.09379665124130 39.098 > 7 74 K 0.83333333333333 0.16666666666667 0.09379665124130 39.098 > 7 75 K 0.33333333333333 0.66666666666667 0.09379665124130 39.098 > 7 76 K 0.83333333333333 0.66666666666667 0.09379665124130 39.098 > 7 77 K 0.33333333333333 0.16666666666667 0.42712998457464 39.098 > 7 78 K 0.83333333333333 0.16666666666667 0.42712998457464 39.098 > 7 79 K 0.33333333333333 0.66666666666667 0.42712998457464 39.098 > 7 80 K 0.83333333333333 0.66666666666667 0.42712998457464 39.098 > 7 81 K 0.33333333333333 0.16666666666667 0.76046331790797 39.098 > 7 82 K 0.83333333333333 0.16666666666667 0.76046331790797 39.098 > 7 83 K 0.33333333333333 0.66666666666667 0.76046331790797 39.098 > 7 84 K 0.83333333333333 0.66666666666667 0.76046331790797 39.098 > 7 85 K 0.16666666666667 0.33333333333333 0.23953668209203 39.098 > 8 86 K 0.66666666666667 0.33333333333333 0.23953668209203 39.098 > 8 87 K 0.16666666666667 0.83333333333333 0.23953668209203 39.098 > 8 88 K 0.66666666666667 0.83333333333333 0.23953668209203 39.098 > 8 89 K 0.16666666666667 0.33333333333333 0.57287001542536 39.098 > 8 90 K 0.66666666666667 0.33333333333333 0.57287001542536 39.098 > 8 91 K 0.16666666666667 0.83333333333333 0.57287001542536 39.098 > 8 92 K 0.66666666666667 0.83333333333333 0.57287001542536 39.098 > 8 93 K 0.16666666666667 0.33333333333333 0.90620334875870 39.098 > 8 94 K 0.66666666666667 0.33333333333333 0.90620334875870 39.098 > 8 95 K 0.16666666666667 0.83333333333333 0.90620334875870 39.098 > 8 96 K 0.66666666666667 0.83333333333333 0.90620334875870 39.098 > 8 *97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 9 98 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 9 99 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 9 100 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 9 101 Pt 0.00000000000000 0.00000000000000 0.33333333333333 195.084 > 9 102 Pt 0.50000000000000 0.00000000000000 0.33333333333333 195.084 > 9 103 Pt 0.00000000000000 0.50000000000000 0.33333333333333 195.084 > 9 104 Pt 0.50000000000000 0.50000000000000 0.33333333333333 195.084 > 9 105 Pt 0.00000000000000 0.00000000000000 0.66666666666667 195.084 > 9 106 Pt 0.50000000000000 0.00000000000000 0.66666666666667 195.084 > 9 107 Pt 0.00000000000000 0.50000000000000 0.66666666666667 195.084 > 9 108 Pt 0.50000000000000 0.50000000000000 0.66666666666667 195.084 > 9----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.4610905 -0.0000000 0.0000000 0.0000000 2.4610905 0.0000000 0.0000000 0.0000000 2.3219587-------------------------- Born effective charges -------------------------- 1 F -1.0642961 0.3272493 -0.4287030 0.3272493 -0.6864212 0.2475118 -0.4068333 0.2348853 -0.7906200 2 F -0.4974837 -0.0000000 -0.0000000 0.0000000 -1.2532336 -0.4950236 0.0000000 -0.4697706 -0.7906200 3 F -1.0642961 -0.3272493 0.4287030 -0.3272493 -0.6864212 0.2475118 0.4068333 0.2348853 -0.7906200 4 F -1.0642961 0.3272493 -0.4287030 0.3272493 -0.6864212 0.2475118 -0.4068333 0.2348853 -0.7906200 5 F -0.4974837 -0.0000000 -0.0000000 0.0000000 -1.2532336 -0.4950236 0.0000000 -0.4697706 -0.7906200 6 F -1.0642961 -0.3272493 0.4287030 -0.3272493 -0.6864212 0.2475118 0.4068333 0.2348853 -0.7906200 7 K 1.3032872 -0.0000000 -0.0000000 0.0000000 1.3032872 -0.0000000 0.0000000 0.0000000 1.2202758 8 K 1.3032872 -0.0000000 -0.0000000 0.0000000 1.3032872 -0.0000000 0.0000000 0.0000000 1.2202758 9 Pt 2.6455775 -0.0000000 -0.0000000 0.0000000 2.6455775 -0.0000000 0.0000000 0.0000000 2.3031685----------------------------------------------------------------------------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: 324/324Permutation basis: 4806/4806Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 430Number of blocks in projector: 267Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 194Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 158Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 78Use standard eigh solver.Tree of FC basis block matrices:- (430, 421), data: False|-- (78, 75), data: True|-- (158, 156), data: True|-- (194, 190), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.009Solver_block: 100 / 160 - Time: 0.310Solver_block: 160 / 160 - Time: 0.219Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.541--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 324/324Permutation basis: 4806/4806Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 430Number of blocks in projector: 267Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 194Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 158Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 78Use standard eigh solver.Tree of FC basis block matrices:- (430, 421), data: False|-- (78, 75), data: True|-- (158, 156), data: True|-- (194, 190), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 19:49:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 19:49:26]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 3]Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.808950021457468 0.000000000000000 0.000000000000000 b -2.904475010728734 5.030698287896327 0.000000000000000 c 0.000000000000000 0.000000000000000 4.638888960000000Atomic positions (fractional): 1 F 0.83615755381047 0.16384244618953 0.77494497371753 18.998 2 F 0.83615755381047 0.67231510762094 0.77494497371753 18.998 3 F 0.32768489237906 0.16384244618953 0.77494497371753 18.998 4 F 0.16384244618953 0.83615755381047 0.22505502628247 18.998 5 F 0.16384244618953 0.32768489237906 0.22505502628247 18.998 6 F 0.67231510762094 0.83615755381047 0.22505502628247 18.998 7 K 0.66666666666667 0.33333333333333 0.28138995372391 39.098 8 K 0.33333333333333 0.66666666666667 0.71861004627609 39.098 9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084-------------------------------- supercell ---------------------------------Lattice vectors: a 11.617900042914936 0.000000000000000 0.000000000000000 b -5.808950021457468 10.061396575792655 0.000000000000000 c 0.000000000000000 0.000000000000000 13.916666880000001Atomic positions (fractional): 1 F 0.41807877690523 0.08192122309477 0.25831499123918 18.998 > 1 2 F 0.91807877690523 0.08192122309477 0.25831499123918 18.998 > 1 3 F 0.41807877690523 0.58192122309477 0.25831499123918 18.998 > 1 4 F 0.91807877690523 0.58192122309477 0.25831499123918 18.998 > 1 5 F 0.41807877690523 0.08192122309477 0.59164832457251 18.998 > 1 6 F 0.91807877690523 0.08192122309477 0.59164832457251 18.998 > 1 7 F 0.41807877690523 0.58192122309477 0.59164832457251 18.998 > 1 8 F 0.91807877690523 0.58192122309477 0.59164832457251 18.998 > 1 9 F 0.41807877690523 0.08192122309477 0.92498165790584 18.998 > 1 10 F 0.91807877690523 0.08192122309477 0.92498165790584 18.998 > 1 11 F 0.41807877690523 0.58192122309477 0.92498165790584 18.998 > 1 12 F 0.91807877690523 0.58192122309477 0.92498165790584 18.998 > 1 13 F 0.41807877690523 0.33615755381047 0.25831499123918 18.998 > 13 14 F 0.91807877690523 0.33615755381047 0.25831499123918 18.998 > 13 15 F 0.41807877690523 0.83615755381047 0.25831499123918 18.998 > 13 16 F 0.91807877690523 0.83615755381047 0.25831499123918 18.998 > 13 17 F 0.41807877690523 0.33615755381047 0.59164832457251 18.998 > 13 18 F 0.91807877690523 0.33615755381047 0.59164832457251 18.998 > 13 19 F 0.41807877690523 0.83615755381047 0.59164832457251 18.998 > 13 20 F 0.91807877690523 0.83615755381047 0.59164832457251 18.998 > 13 21 F 0.41807877690523 0.33615755381047 0.92498165790584 18.998 > 13 22 F 0.91807877690523 0.33615755381047 0.92498165790584 18.998 > 13 23 F 0.41807877690523 0.83615755381047 0.92498165790584 18.998 > 13 24 F 0.91807877690523 0.83615755381047 0.92498165790584 18.998 > 13 25 F 0.16384244618953 0.08192122309477 0.25831499123918 18.998 > 25 26 F 0.66384244618953 0.08192122309477 0.25831499123918 18.998 > 25 27 F 0.16384244618953 0.58192122309477 0.25831499123918 18.998 > 25 28 F 0.66384244618953 0.58192122309477 0.25831499123918 18.998 > 25 29 F 0.16384244618953 0.08192122309477 0.59164832457251 18.998 > 25 30 F 0.66384244618953 0.08192122309477 0.59164832457251 18.998 > 25 31 F 0.16384244618953 0.58192122309477 0.59164832457251 18.998 > 25 32 F 0.66384244618953 0.58192122309477 0.59164832457251 18.998 > 25 33 F 0.16384244618953 0.08192122309477 0.92498165790584 18.998 > 25 34 F 0.66384244618953 0.08192122309477 0.92498165790584 18.998 > 25 35 F 0.16384244618953 0.58192122309477 0.92498165790584 18.998 > 25 36 F 0.66384244618953 0.58192122309477 0.92498165790584 18.998 > 25 37 F 0.08192122309477 0.41807877690523 0.07501834209416 18.998 > 37 38 F 0.58192122309477 0.41807877690523 0.07501834209416 18.998 > 37 39 F 0.08192122309477 0.91807877690523 0.07501834209416 18.998 > 37 40 F 0.58192122309477 0.91807877690523 0.07501834209416 18.998 > 37 41 F 0.08192122309477 0.41807877690523 0.40835167542749 18.998 > 37 42 F 0.58192122309477 0.41807877690523 0.40835167542749 18.998 > 37 43 F 0.08192122309477 0.91807877690523 0.40835167542749 18.998 > 37 44 F 0.58192122309477 0.91807877690523 0.40835167542749 18.998 > 37 45 F 0.08192122309477 0.41807877690523 0.74168500876082 18.998 > 37 46 F 0.58192122309477 0.41807877690523 0.74168500876082 18.998 > 37 47 F 0.08192122309477 0.91807877690523 0.74168500876082 18.998 > 37 48 F 0.58192122309477 0.91807877690523 0.74168500876082 18.998 > 37 49 F 0.08192122309477 0.16384244618953 0.07501834209416 18.998 > 49 50 F 0.58192122309477 0.16384244618953 0.07501834209416 18.998 > 49 51 F 0.08192122309477 0.66384244618953 0.07501834209416 18.998 > 49 52 F 0.58192122309477 0.66384244618953 0.07501834209416 18.998 > 49 53 F 0.08192122309477 0.16384244618953 0.40835167542749 18.998 > 49 54 F 0.58192122309477 0.16384244618953 0.40835167542749 18.998 > 49 55 F 0.08192122309477 0.66384244618953 0.40835167542749 18.998 > 49 56 F 0.58192122309477 0.66384244618953 0.40835167542749 18.998 > 49 57 F 0.08192122309477 0.16384244618953 0.74168500876082 18.998 > 49 58 F 0.58192122309477 0.16384244618953 0.74168500876082 18.998 > 49 59 F 0.08192122309477 0.66384244618953 0.74168500876082 18.998 > 49 60 F 0.58192122309477 0.66384244618953 0.74168500876082 18.998 > 49 61 F 0.33615755381047 0.41807877690523 0.07501834209416 18.998 > 61 62 F 0.83615755381047 0.41807877690523 0.07501834209416 18.998 > 61 63 F 0.33615755381047 0.91807877690523 0.07501834209416 18.998 > 61 64 F 0.83615755381047 0.91807877690523 0.07501834209416 18.998 > 61 65 F 0.33615755381047 0.41807877690523 0.40835167542749 18.998 > 61 66 F 0.83615755381047 0.41807877690523 0.40835167542749 18.998 > 61 67 F 0.33615755381047 0.91807877690523 0.40835167542749 18.998 > 61 68 F 0.83615755381047 0.91807877690523 0.40835167542749 18.998 > 61 69 F 0.33615755381047 0.41807877690523 0.74168500876082 18.998 > 61 70 F 0.83615755381047 0.41807877690523 0.74168500876082 18.998 > 61 71 F 0.33615755381047 0.91807877690523 0.74168500876082 18.998 > 61 72 F 0.83615755381047 0.91807877690523 0.74168500876082 18.998 > 61 73 K 0.33333333333333 0.16666666666667 0.09379665124130 39.098 > 73 74 K 0.83333333333333 0.16666666666667 0.09379665124130 39.098 > 73 75 K 0.33333333333333 0.66666666666667 0.09379665124130 39.098 > 73 76 K 0.83333333333333 0.66666666666667 0.09379665124130 39.098 > 73 77 K 0.33333333333333 0.16666666666667 0.42712998457464 39.098 > 73 78 K 0.83333333333333 0.16666666666667 0.42712998457464 39.098 > 73 79 K 0.33333333333333 0.66666666666667 0.42712998457464 39.098 > 73 80 K 0.83333333333333 0.66666666666667 0.42712998457464 39.098 > 73 81 K 0.33333333333333 0.16666666666667 0.76046331790797 39.098 > 73 82 K 0.83333333333333 0.16666666666667 0.76046331790797 39.098 > 73 83 K 0.33333333333333 0.66666666666667 0.76046331790797 39.098 > 73 84 K 0.83333333333333 0.66666666666667 0.76046331790797 39.098 > 73 85 K 0.16666666666667 0.33333333333333 0.23953668209203 39.098 > 85 86 K 0.66666666666667 0.33333333333333 0.23953668209203 39.098 > 85 87 K 0.16666666666667 0.83333333333333 0.23953668209203 39.098 > 85 88 K 0.66666666666667 0.83333333333333 0.23953668209203 39.098 > 85 89 K 0.16666666666667 0.33333333333333 0.57287001542536 39.098 > 85 90 K 0.66666666666667 0.33333333333333 0.57287001542536 39.098 > 85 91 K 0.16666666666667 0.83333333333333 0.57287001542536 39.098 > 85 92 K 0.66666666666667 0.83333333333333 0.57287001542536 39.098 > 85 93 K 0.16666666666667 0.33333333333333 0.90620334875870 39.098 > 85 94 K 0.66666666666667 0.33333333333333 0.90620334875870 39.098 > 85 95 K 0.16666666666667 0.83333333333333 0.90620334875870 39.098 > 85 96 K 0.66666666666667 0.83333333333333 0.90620334875870 39.098 > 85 97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 97 98 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 97 99 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 97 100 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 97 101 Pt 0.00000000000000 0.00000000000000 0.33333333333333 195.084 > 97 102 Pt 0.50000000000000 0.00000000000000 0.33333333333333 195.084 > 97 103 Pt 0.00000000000000 0.50000000000000 0.33333333333333 195.084 > 97 104 Pt 0.50000000000000 0.50000000000000 0.33333333333333 195.084 > 97 105 Pt 0.00000000000000 0.00000000000000 0.66666666666667 195.084 > 97 106 Pt 0.50000000000000 0.00000000000000 0.66666666666667 195.084 > 97 107 Pt 0.00000000000000 0.50000000000000 0.66666666666667 195.084 > 97 108 Pt 0.50000000000000 0.50000000000000 0.66666666666667 195.084 > 97----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.4610905 -0.0000000 0.0000000 0.0000000 2.4610905 0.0000000 0.0000000 0.0000000 2.3219587-------------------------- Born effective charges -------------------------- 1 F -1.0642961 0.3272493 -0.4287030 0.3272493 -0.6864212 0.2475118 -0.4068333 0.2348853 -0.7906200 2 F -0.4974837 -0.0000000 -0.0000000 0.0000000 -1.2532336 -0.4950236 0.0000000 -0.4697706 -0.7906200 3 F -1.0642961 -0.3272493 0.4287030 -0.3272493 -0.6864212 0.2475118 0.4068333 0.2348853 -0.7906200 4 F -1.0642961 0.3272493 -0.4287030 0.3272493 -0.6864212 0.2475118 -0.4068333 0.2348853 -0.7906200 5 F -0.4974837 -0.0000000 -0.0000000 0.0000000 -1.2532336 -0.4950236 0.0000000 -0.4697706 -0.7906200 6 F -1.0642961 -0.3272493 0.4287030 -0.3272493 -0.6864212 0.2475118 0.4068333 0.2348853 -0.7906200 7 K 1.3032872 -0.0000000 -0.0000000 0.0000000 1.3032872 -0.0000000 0.0000000 0.0000000 1.2202758 8 K 1.3032872 -0.0000000 -0.0000000 0.0000000 1.3032872 -0.0000000 0.0000000 0.0000000 1.2202758 9 Pt 2.6455775 -0.0000000 -0.0000000 0.0000000 2.6455775 -0.0000000 0.0000000 0.0000000 2.3031685----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 2026-01-07 19:49:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 19:49:33]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 3]Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.808950021457468 0.000000000000000 0.000000000000000 b -2.904475010728734 5.030698287896327 0.000000000000000 c 0.000000000000000 0.000000000000000 4.638888960000000Atomic positions (fractional): 1 F 0.83615755381047 0.16384244618953 0.77494497371753 18.998 2 F 0.83615755381047 0.67231510762094 0.77494497371753 18.998 3 F 0.32768489237906 0.16384244618953 0.77494497371753 18.998 4 F 0.16384244618953 0.83615755381047 0.22505502628247 18.998 5 F 0.16384244618953 0.32768489237906 0.22505502628247 18.998 6 F 0.67231510762094 0.83615755381047 0.22505502628247 18.998 7 K 0.66666666666667 0.33333333333333 0.28138995372391 39.098 8 K 0.33333333333333 0.66666666666667 0.71861004627609 39.098 9 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084-------------------------------- supercell ---------------------------------Lattice vectors: a 11.617900042914936 0.000000000000000 0.000000000000000 b -5.808950021457468 10.061396575792655 0.000000000000000 c 0.000000000000000 0.000000000000000 13.916666880000001Atomic positions (fractional): 1 F 0.41807877690523 0.08192122309477 0.25831499123918 18.998 > 1 2 F 0.91807877690523 0.08192122309477 0.25831499123918 18.998 > 1 3 F 0.41807877690523 0.58192122309477 0.25831499123918 18.998 > 1 4 F 0.91807877690523 0.58192122309477 0.25831499123918 18.998 > 1 5 F 0.41807877690523 0.08192122309477 0.59164832457251 18.998 > 1 6 F 0.91807877690523 0.08192122309477 0.59164832457251 18.998 > 1 7 F 0.41807877690523 0.58192122309477 0.59164832457251 18.998 > 1 8 F 0.91807877690523 0.58192122309477 0.59164832457251 18.998 > 1 9 F 0.41807877690523 0.08192122309477 0.92498165790584 18.998 > 1 10 F 0.91807877690523 0.08192122309477 0.92498165790584 18.998 > 1 11 F 0.41807877690523 0.58192122309477 0.92498165790584 18.998 > 1 12 F 0.91807877690523 0.58192122309477 0.92498165790584 18.998 > 1 13 F 0.41807877690523 0.33615755381047 0.25831499123918 18.998 > 13 14 F 0.91807877690523 0.33615755381047 0.25831499123918 18.998 > 13 15 F 0.41807877690523 0.83615755381047 0.25831499123918 18.998 > 13 16 F 0.91807877690523 0.83615755381047 0.25831499123918 18.998 > 13 17 F 0.41807877690523 0.33615755381047 0.59164832457251 18.998 > 13 18 F 0.91807877690523 0.33615755381047 0.59164832457251 18.998 > 13 19 F 0.41807877690523 0.83615755381047 0.59164832457251 18.998 > 13 20 F 0.91807877690523 0.83615755381047 0.59164832457251 18.998 > 13 21 F 0.41807877690523 0.33615755381047 0.92498165790584 18.998 > 13 22 F 0.91807877690523 0.33615755381047 0.92498165790584 18.998 > 13 23 F 0.41807877690523 0.83615755381047 0.92498165790584 18.998 > 13 24 F 0.91807877690523 0.83615755381047 0.92498165790584 18.998 > 13 25 F 0.16384244618953 0.08192122309477 0.25831499123918 18.998 > 25 26 F 0.66384244618953 0.08192122309477 0.25831499123918 18.998 > 25 27 F 0.16384244618953 0.58192122309477 0.25831499123918 18.998 > 25 28 F 0.66384244618953 0.58192122309477 0.25831499123918 18.998 > 25 29 F 0.16384244618953 0.08192122309477 0.59164832457251 18.998 > 25 30 F 0.66384244618953 0.08192122309477 0.59164832457251 18.998 > 25 31 F 0.16384244618953 0.58192122309477 0.59164832457251 18.998 > 25 32 F 0.66384244618953 0.58192122309477 0.59164832457251 18.998 > 25 33 F 0.16384244618953 0.08192122309477 0.92498165790584 18.998 > 25 34 F 0.66384244618953 0.08192122309477 0.92498165790584 18.998 > 25 35 F 0.16384244618953 0.58192122309477 0.92498165790584 18.998 > 25 36 F 0.66384244618953 0.58192122309477 0.92498165790584 18.998 > 25 37 F 0.08192122309477 0.41807877690523 0.07501834209416 18.998 > 37 38 F 0.58192122309477 0.41807877690523 0.07501834209416 18.998 > 37 39 F 0.08192122309477 0.91807877690523 0.07501834209416 18.998 > 37 40 F 0.58192122309477 0.91807877690523 0.07501834209416 18.998 > 37 41 F 0.08192122309477 0.41807877690523 0.40835167542749 18.998 > 37 42 F 0.58192122309477 0.41807877690523 0.40835167542749 18.998 > 37 43 F 0.08192122309477 0.91807877690523 0.40835167542749 18.998 > 37 44 F 0.58192122309477 0.91807877690523 0.40835167542749 18.998 > 37 45 F 0.08192122309477 0.41807877690523 0.74168500876082 18.998 > 37 46 F 0.58192122309477 0.41807877690523 0.74168500876082 18.998 > 37 47 F 0.08192122309477 0.91807877690523 0.74168500876082 18.998 > 37 48 F 0.58192122309477 0.91807877690523 0.74168500876082 18.998 > 37 49 F 0.08192122309477 0.16384244618953 0.07501834209416 18.998 > 49 50 F 0.58192122309477 0.16384244618953 0.07501834209416 18.998 > 49 51 F 0.08192122309477 0.66384244618953 0.07501834209416 18.998 > 49 52 F 0.58192122309477 0.66384244618953 0.07501834209416 18.998 > 49 53 F 0.08192122309477 0.16384244618953 0.40835167542749 18.998 > 49 54 F 0.58192122309477 0.16384244618953 0.40835167542749 18.998 > 49 55 F 0.08192122309477 0.66384244618953 0.40835167542749 18.998 > 49 56 F 0.58192122309477 0.66384244618953 0.40835167542749 18.998 > 49 57 F 0.08192122309477 0.16384244618953 0.74168500876082 18.998 > 49 58 F 0.58192122309477 0.16384244618953 0.74168500876082 18.998 > 49 59 F 0.08192122309477 0.66384244618953 0.74168500876082 18.998 > 49 60 F 0.58192122309477 0.66384244618953 0.74168500876082 18.998 > 49 61 F 0.33615755381047 0.41807877690523 0.07501834209416 18.998 > 61 62 F 0.83615755381047 0.41807877690523 0.07501834209416 18.998 > 61 63 F 0.33615755381047 0.91807877690523 0.07501834209416 18.998 > 61 64 F 0.83615755381047 0.91807877690523 0.07501834209416 18.998 > 61 65 F 0.33615755381047 0.41807877690523 0.40835167542749 18.998 > 61 66 F 0.83615755381047 0.41807877690523 0.40835167542749 18.998 > 61 67 F 0.33615755381047 0.91807877690523 0.40835167542749 18.998 > 61 68 F 0.83615755381047 0.91807877690523 0.40835167542749 18.998 > 61 69 F 0.33615755381047 0.41807877690523 0.74168500876082 18.998 > 61 70 F 0.83615755381047 0.41807877690523 0.74168500876082 18.998 > 61 71 F 0.33615755381047 0.91807877690523 0.74168500876082 18.998 > 61 72 F 0.83615755381047 0.91807877690523 0.74168500876082 18.998 > 61 73 K 0.33333333333333 0.16666666666667 0.09379665124130 39.098 > 73 74 K 0.83333333333333 0.16666666666667 0.09379665124130 39.098 > 73 75 K 0.33333333333333 0.66666666666667 0.09379665124130 39.098 > 73 76 K 0.83333333333333 0.66666666666667 0.09379665124130 39.098 > 73 77 K 0.33333333333333 0.16666666666667 0.42712998457464 39.098 > 73 78 K 0.83333333333333 0.16666666666667 0.42712998457464 39.098 > 73 79 K 0.33333333333333 0.66666666666667 0.42712998457464 39.098 > 73 80 K 0.83333333333333 0.66666666666667 0.42712998457464 39.098 > 73 81 K 0.33333333333333 0.16666666666667 0.76046331790797 39.098 > 73 82 K 0.83333333333333 0.16666666666667 0.76046331790797 39.098 > 73 83 K 0.33333333333333 0.66666666666667 0.76046331790797 39.098 > 73 84 K 0.83333333333333 0.66666666666667 0.76046331790797 39.098 > 73 85 K 0.16666666666667 0.33333333333333 0.23953668209203 39.098 > 85 86 K 0.66666666666667 0.33333333333333 0.23953668209203 39.098 > 85 87 K 0.16666666666667 0.83333333333333 0.23953668209203 39.098 > 85 88 K 0.66666666666667 0.83333333333333 0.23953668209203 39.098 > 85 89 K 0.16666666666667 0.33333333333333 0.57287001542536 39.098 > 85 90 K 0.66666666666667 0.33333333333333 0.57287001542536 39.098 > 85 91 K 0.16666666666667 0.83333333333333 0.57287001542536 39.098 > 85 92 K 0.66666666666667 0.83333333333333 0.57287001542536 39.098 > 85 93 K 0.16666666666667 0.33333333333333 0.90620334875870 39.098 > 85 94 K 0.66666666666667 0.33333333333333 0.90620334875870 39.098 > 85 95 K 0.16666666666667 0.83333333333333 0.90620334875870 39.098 > 85 96 K 0.66666666666667 0.83333333333333 0.90620334875870 39.098 > 85 97 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 97 98 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 97 99 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 97 100 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 97 101 Pt 0.00000000000000 0.00000000000000 0.33333333333333 195.084 > 97 102 Pt 0.50000000000000 0.00000000000000 0.33333333333333 195.084 > 97 103 Pt 0.00000000000000 0.50000000000000 0.33333333333333 195.084 > 97 104 Pt 0.50000000000000 0.50000000000000 0.33333333333333 195.084 > 97 105 Pt 0.00000000000000 0.00000000000000 0.66666666666667 195.084 > 97 106 Pt 0.50000000000000 0.00000000000000 0.66666666666667 195.084 > 97 107 Pt 0.00000000000000 0.50000000000000 0.66666666666667 195.084 > 97 108 Pt 0.50000000000000 0.50000000000000 0.66666666666667 195.084 > 97----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.4610905 -0.0000000 0.0000000 0.0000000 2.4610905 0.0000000 0.0000000 0.0000000 2.3219587-------------------------- Born effective charges -------------------------- 1 F -1.0642961 0.3272493 -0.4287030 0.3272493 -0.6864212 0.2475118 -0.4068333 0.2348853 -0.7906200 2 F -0.4974837 -0.0000000 -0.0000000 0.0000000 -1.2532336 -0.4950236 0.0000000 -0.4697706 -0.7906200 3 F -1.0642961 -0.3272493 0.4287030 -0.3272493 -0.6864212 0.2475118 0.4068333 0.2348853 -0.7906200 4 F -1.0642961 0.3272493 -0.4287030 0.3272493 -0.6864212 0.2475118 -0.4068333 0.2348853 -0.7906200 5 F -0.4974837 -0.0000000 -0.0000000 0.0000000 -1.2532336 -0.4950236 0.0000000 -0.4697706 -0.7906200 6 F -1.0642961 -0.3272493 0.4287030 -0.3272493 -0.6864212 0.2475118 0.4068333 0.2348853 -0.7906200 7 K 1.3032872 -0.0000000 -0.0000000 0.0000000 1.3032872 -0.0000000 0.0000000 0.0000000 1.2202758 8 K 1.3032872 -0.0000000 -0.0000000 0.0000000 1.3032872 -0.0000000 0.0000000 0.0000000 1.2202758 9 Pt 2.6455775 -0.0000000 -0.0000000 0.0000000 2.6455775 -0.0000000 0.0000000 0.0000000 2.3031685----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 10 10 11 ]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: 0.81, Number of G-points: 283, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/124) =======================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 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 124Calculating 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 1.406 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 6.472 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 16.874 ( 0.000 0.000 0.000) 0.000 16.874 ( 0.000 0.000 0.000) 0.000 17.042 ( 0.000 0.000 0.000) 0.000 17.042 ( 0.000 0.000 0.000) 0.000 17.140 ( 0.000 0.000 0.000) 0.000 17.546 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/124) =======================q-point: ( 0.10 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 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.264 ( 11.350 6.553 -1.221) 13.162 0.378 ( 16.370 9.451 -2.954) 19.132 0.716 ( 30.383 17.541 1.991) 35.139 1.488 ( 6.623 3.824 0.055) 7.648 2.497 ( -2.778 -1.604 0.179) 3.212 2.549 ( 0.898 0.518 -0.528) 1.164 2.792 ( 5.729 3.308 1.875) 6.876 3.068 ( -1.170 -0.676 -0.263) 1.377 3.112 ( -4.608 -2.660 1.775) 5.609 3.518 ( -2.970 -1.715 -2.130) 4.037 3.608 ( 3.919 2.263 -1.043) 4.645 4.687 ( -2.955 -1.706 -0.383) 3.434 5.857 ( -4.527 -2.613 0.324) 5.237 5.950 ( 3.191 1.842 1.566) 4.003 6.455 ( -1.336 -0.771 0.046) 1.543 6.981 ( -1.661 -0.959 -0.007) 1.918 7.023 ( 0.409 0.236 -0.262) 0.540 7.305 ( -2.101 -1.213 0.190) 2.434 7.361 ( 2.917 1.684 0.009) 3.368 8.014 ( 0.201 0.116 0.036) 0.235 8.194 ( 0.776 0.448 -0.758) 1.174 16.847 ( -2.292 -1.323 0.778) 2.759 16.868 ( -0.469 -0.271 0.126) 0.556 17.053 ( 0.819 0.473 0.017) 0.946 17.134 ( -0.460 -0.266 -2.482) 2.538 17.535 ( -0.861 -0.497 0.032) 0.995 18.297 ( 0.257 0.148 1.379) 1.410======================= Grid point 2 (3/124) =======================q-point: ( 0.20 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 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.516 ( 10.473 6.047 -1.251) 12.158 0.746 ( 15.476 8.935 -3.095) 18.136 1.376 ( 26.643 15.382 2.062) 30.834 1.671 ( 8.443 4.875 0.337) 9.755 2.433 ( -2.624 -1.515 0.610) 3.091 2.582 ( 1.959 1.131 -1.015) 2.479 2.935 ( 4.886 2.821 4.832) 7.428 2.999 ( -4.713 -2.721 2.404) 5.950 3.043 ( 0.480 0.277 -2.690) 2.747 3.425 ( -4.862 -2.807 -2.855) 6.298 3.701 ( 3.732 2.155 -1.051) 4.435 4.594 ( -4.966 -2.867 -1.012) 5.823 5.723 ( -6.611 -3.817 0.483) 7.650 6.048 ( 5.066 2.925 2.359) 6.308 6.417 ( -1.867 -1.078 0.260) 2.172 6.927 ( -2.883 -1.665 0.031) 3.330 7.028 ( -0.185 -0.107 -1.265) 1.283 7.242 ( -3.134 -1.810 0.969) 3.747 7.443 ( 3.854 2.225 0.067) 4.451 8.022 ( 0.473 0.273 0.016) 0.547 8.218 ( 1.185 0.684 -1.227) 1.838 16.774 ( -3.851 -2.224 1.140) 4.591 16.858 ( -0.248 -0.143 0.232) 0.368 17.073 ( 0.817 0.472 -0.001) 0.943 17.122 ( -0.474 -0.274 -4.220) 4.256 17.510 ( -1.232 -0.712 0.199) 1.437 18.302 ( 0.124 0.071 2.402) 2.407======================= Grid point 3 (4/124) =======================q-point: ( 0.30 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 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.736 ( 8.429 4.867 -1.114) 9.797 1.076 ( 12.958 7.481 -2.934) 15.248 1.839 ( 5.696 3.289 0.775) 6.623 1.918 ( 20.058 11.581 1.615) 23.218 2.383 ( -1.675 -0.967 1.012) 2.183 2.629 ( 1.696 0.979 -1.192) 2.293 2.918 ( -1.805 -1.042 2.229) 3.052 2.928 ( -2.810 -1.622 1.677) 3.653 3.163 ( 6.954 4.015 1.001) 8.092 3.313 ( -4.404 -2.543 -2.905) 5.857 3.769 ( 2.206 1.273 -0.728) 2.649 4.470 ( -5.583 -3.223 -1.646) 6.654 5.573 ( -6.081 -3.511 0.456) 7.037 6.168 ( 5.046 2.914 2.188) 6.224 6.376 ( -1.563 -0.903 0.501) 1.873 6.856 ( -3.115 -1.799 0.061) 3.598 7.003 ( -2.021 -1.167 -2.650) 3.531 7.179 ( -2.042 -1.179 2.115) 3.167 7.525 ( 3.063 1.768 0.135) 3.539 8.036 ( 0.668 0.386 -0.040) 0.773 8.245 ( 1.100 0.635 -1.231) 1.769 16.682 ( -3.952 -2.282 1.014) 4.675 16.858 ( 0.219 0.127 0.273) 0.372 17.087 ( 0.354 0.205 -0.041) 0.411 17.114 ( -0.239 -0.138 -4.535) 4.543 17.483 ( -1.012 -0.585 0.400) 1.235 18.300 ( -0.232 -0.134 2.640) 2.654======================= Grid point 4 (5/124) =======================q-point: ( 0.40 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 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.891 ( 4.831 2.789 -0.678) 5.619 1.322 ( 7.962 4.597 -2.042) 9.418 1.925 ( 1.963 1.134 0.876) 2.430 2.268 ( 9.898 5.714 -1.027) 11.475 2.358 ( -0.422 -0.244 2.608) 2.653 2.642 ( -0.396 -0.228 -0.481) 0.663 2.872 ( -1.460 -0.843 0.327) 1.717 2.922 ( 1.490 0.860 0.987) 1.984 3.217 ( -2.212 -1.277 2.035) 3.266 3.315 ( 4.257 2.458 -2.029) 5.318 3.803 ( 0.801 0.462 -0.346) 0.987 4.354 ( -4.102 -2.368 -1.462) 4.958 5.459 ( -3.604 -2.081 0.276) 4.171 6.265 ( 3.137 1.811 1.288) 3.844 6.348 ( -0.799 -0.461 0.449) 1.026 6.795 ( -2.047 -1.182 0.048) 2.364 6.948 ( -2.282 -1.317 -2.024) 3.322 7.150 ( -0.655 -0.378 1.548) 1.723 7.579 ( 1.578 0.911 0.116) 1.826 8.050 ( 0.513 0.296 -0.053) 0.594 8.265 ( 0.638 0.368 -0.764) 1.061 16.605 ( -2.472 -1.427 0.575) 2.912 16.866 ( 0.360 0.208 0.195) 0.459 17.090 ( -0.003 -0.002 -0.052) 0.052 17.111 ( -0.072 -0.041 -2.988) 2.989 17.466 ( -0.488 -0.282 0.345) 0.661 18.293 ( -0.327 -0.189 1.768) 1.808======================= Grid point 5 (6/124) =======================q-point: (-0.50 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 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( 0.000 0.000 -0.000) 0.000 1.418 ( 0.000 0.000 -0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 2.349 ( -0.000 -0.000 0.000) 0.000 2.382 ( 0.000 0.000 -0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 -0.000) 0.000 3.368 ( 0.000 0.000 -0.000) 0.000 3.811 ( 0.000 0.000 -0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 -0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.340 ( 0.000 0.000 -0.000) 0.000 6.770 ( 0.000 0.000 -0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.597 ( 0.000 0.000 -0.000) 0.000 8.056 ( 0.000 0.000 -0.000) 0.000 8.273 ( 0.000 0.000 -0.000) 0.000 16.576 ( 0.000 0.000 0.000) 0.000 16.871 ( 0.000 0.000 0.000) 0.000 17.090 ( 0.000 0.000 -0.000) 0.000 17.110 ( 0.000 0.000 -0.000) 0.000 17.460 ( 0.000 0.000 0.000) 0.000 18.289 ( 0.000 0.000 0.000) 0.000======================= Grid point 12 (7/124) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.444 ( 6.058 10.493 0.000) 12.117 0.659 ( 9.505 16.463 0.000) 19.010 1.204 ( 15.898 27.536 0.000) 31.796 1.621 ( 5.033 8.718 0.000) 10.066 2.454 ( -1.370 -2.372 0.000) 2.739 2.566 ( 0.699 1.211 0.000) 1.398 2.887 ( 2.709 4.691 0.000) 5.417 3.042 ( -1.024 -1.773 0.000) 2.047 3.043 ( -1.569 -2.717 0.000) 3.137 3.461 ( -2.252 -3.900 0.000) 4.503 3.673 ( 2.101 3.638 0.000) 4.201 4.620 ( -2.760 -4.781 0.000) 5.520 5.822 ( -2.078 -3.599 0.000) 4.156 5.959 ( 1.111 1.924 0.000) 2.222 6.428 ( -1.072 -1.857 0.000) 2.144 6.944 ( -1.538 -2.665 0.000) 3.077 7.029 ( 0.168 0.291 0.000) 0.336 7.260 ( -1.851 -3.206 0.000) 3.702 7.423 ( 2.363 4.093 0.000) 4.726 8.021 ( 0.316 0.546 0.000) 0.631 8.210 ( 0.593 1.027 0.000) 1.186 16.781 ( -2.147 -3.719 0.000) 4.295 16.889 ( 0.301 0.521 0.000) 0.601 17.011 ( -1.630 -2.823 0.000) 3.259 17.174 ( 1.695 2.936 0.000) 3.390 17.517 ( -0.700 -1.213 0.000) 1.400 18.296 ( -0.129 -0.224 0.000) 0.259======================= Grid point 13 (8/124) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.652 ( 7.352 7.226 -0.679) 10.331 0.989 ( 10.302 14.547 -1.723) 17.908 1.729 ( 17.264 18.286 1.215) 25.177 1.797 ( 5.323 7.222 0.262) 8.976 2.411 ( -1.840 -0.412 0.437) 1.936 2.599 ( 2.103 0.556 -0.624) 2.263 2.882 ( -1.444 -4.969 0.964) 5.263 2.998 ( -2.397 -0.286 2.211) 3.274 3.105 ( 4.996 5.663 -0.772) 7.591 3.372 ( -4.123 -2.331 -1.375) 4.932 3.737 ( 2.313 1.234 -0.478) 2.665 4.512 ( -3.842 -4.819 -0.760) 6.209 5.702 ( -8.726 0.567 -0.015) 8.744 6.043 ( 7.663 -2.413 1.506) 8.174 6.388 ( -1.324 -1.706 0.238) 2.173 6.882 ( -2.299 -2.626 0.032) 3.491 7.026 ( -0.994 -0.139 -1.334) 1.670 7.189 ( -2.069 -3.452 1.073) 4.165 7.507 ( 2.476 3.849 0.082) 4.578 8.036 ( 0.433 1.149 0.012) 1.227 8.232 ( 0.929 0.665 -0.718) 1.350 16.703 ( -2.425 -3.997 0.527) 4.704 16.879 ( -1.920 1.167 0.677) 2.347 16.975 ( 2.132 -5.584 -1.526) 6.169 17.230 ( -0.831 6.842 -1.549) 7.064 17.491 ( -0.862 -1.098 0.224) 1.414 18.286 ( 0.039 -1.788 1.505) 2.337======================= Grid point 14 (9/124) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.826 ( 5.994 3.938 -0.702) 7.206 1.282 ( 7.274 12.695 -2.087) 14.780 1.924 ( 2.163 4.938 0.875) 5.462 2.124 ( 12.646 7.613 0.729) 14.779 2.384 ( -1.844 1.154 0.907) 2.357 2.637 ( 1.559 -0.053 -0.608) 1.674 2.815 ( 0.187 -5.161 0.325) 5.175 2.973 ( -1.212 2.550 1.572) 3.231 3.243 ( 4.203 3.470 2.852) 6.151 3.289 ( -3.353 0.262 -3.472) 4.834 3.773 ( 1.829 -1.079 -0.436) 2.168 4.404 ( -3.980 -2.642 -1.201) 4.926 5.564 ( -8.177 1.921 0.095) 8.401 6.147 ( 7.946 -4.515 1.395) 9.245 6.353 ( -0.859 -1.303 0.403) 1.612 6.823 ( -2.128 -1.179 0.121) 2.435 6.984 ( -3.045 -0.783 -2.371) 3.938 7.137 ( -0.053 -2.999 1.877) 3.539 7.576 ( 1.333 3.023 0.133) 3.307 8.056 ( 0.162 1.708 0.007) 1.716 8.252 ( 0.944 -0.008 -0.798) 1.236 16.624 ( -2.322 -3.141 0.580) 3.948 16.864 ( -0.337 0.055 0.433) 0.551 16.961 ( 2.601 -5.844 -1.507) 6.572 17.278 ( -3.475 9.971 -1.943) 10.736 17.470 ( -0.495 -0.680 0.447) 0.953 18.264 ( 0.738 -3.669 1.836) 4.168======================= Grid point 15 (10/124) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.925 ( 2.667 0.628 -0.290) 2.755 1.466 ( 0.435 9.555 -1.051) 9.622 1.974 ( -0.886 3.577 0.572) 3.729 2.302 ( 5.896 -2.587 -0.582) 6.465 2.369 ( -1.366 1.459 1.200) 2.331 2.648 ( -0.305 0.551 -0.180) 0.655 2.794 ( 2.520 -4.289 0.087) 4.975 2.998 ( -0.723 3.938 0.629) 4.053 3.235 ( -3.340 3.500 0.547) 4.869 3.335 ( 3.013 -0.775 -0.615) 3.171 3.783 ( 1.591 -2.505 -0.183) 2.973 4.335 ( -2.669 0.746 -0.623) 2.841 5.476 ( -4.748 3.453 0.055) 5.871 6.213 ( 5.879 -6.627 0.538) 8.876 6.334 ( -0.068 -0.838 0.211) 0.867 6.791 ( -1.445 1.028 0.127) 1.779 6.930 ( -1.720 -0.588 -1.090) 2.120 7.120 ( 1.064 -2.525 0.771) 2.846 7.611 ( -0.169 2.083 0.066) 2.091 8.071 ( -0.556 1.833 0.004) 1.915 8.263 ( 0.700 -0.644 -0.339) 1.010 16.572 ( -0.634 -1.744 0.232) 1.870 16.865 ( 0.391 -0.289 0.175) 0.517 16.948 ( 3.015 -6.090 -0.636) 6.826 17.305 ( -5.748 11.349 -0.912) 12.755 17.461 ( -0.171 -0.020 0.245) 0.300 18.245 ( 2.046 -4.734 0.832) 5.224======================= Grid point 23 (11/124) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.789 ( 3.573 6.188 0.000) 7.146 1.290 ( 8.640 14.965 0.000) 17.280 1.933 ( 3.404 5.896 0.000) 6.808 2.043 ( 6.962 12.058 0.000) 13.923 2.417 ( 0.424 0.735 0.000) 0.849 2.607 ( 0.281 0.487 0.000) 0.562 2.790 ( -2.236 -3.872 0.000) 4.471 2.995 ( 0.345 0.597 0.000) 0.690 3.213 ( 2.647 4.585 0.000) 5.294 3.338 ( -0.526 -0.910 0.000) 1.051 3.745 ( -0.265 -0.459 0.000) 0.530 4.426 ( -1.962 -3.399 0.000) 3.925 5.695 ( -1.271 -2.201 0.000) 2.541 6.003 ( -0.336 -0.582 0.000) 0.672 6.354 ( -0.919 -1.592 0.000) 1.839 6.836 ( -1.005 -1.741 0.000) 2.011 7.016 ( -0.630 -1.092 0.000) 1.261 7.113 ( -2.139 -3.705 0.000) 4.279 7.581 ( 1.899 3.289 0.000) 3.798 8.066 ( 1.033 1.789 0.000) 2.066 8.242 ( 0.153 0.265 0.000) 0.306 16.627 ( -2.081 -3.604 0.000) 4.162 16.885 ( -1.497 -2.593 0.000) 2.994 16.892 ( -0.329 -0.571 0.000) 0.659 17.369 ( 4.014 6.952 0.000) 8.028 17.469 ( -0.573 -0.993 0.000) 1.147 18.231 ( -2.075 -3.594 0.000) 4.150======================= Grid point 24 (12/124) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.887 ( 2.772 2.204 -0.195) 3.547 1.556 ( 4.390 14.274 -0.892) 14.961 2.021 ( 0.761 4.440 0.686) 4.557 2.183 ( 3.848 -1.697 0.097) 4.207 2.424 ( -1.807 2.542 0.243) 3.128 2.623 ( 2.032 -1.702 -0.019) 2.651 2.738 ( -0.239 -2.226 -0.180) 2.246 3.029 ( 0.988 3.310 0.692) 3.523 3.275 ( 2.141 -0.665 -0.138) 2.246 3.339 ( -1.848 4.989 -0.083) 5.321 3.724 ( 0.641 -3.836 -0.185) 3.894 4.382 ( -1.520 0.341 -0.335) 1.593 5.626 ( -6.472 3.948 -0.127) 7.582 6.017 ( 5.949 -7.726 0.476) 9.763 6.328 ( -0.418 -1.109 0.125) 1.192 6.821 ( -0.348 1.095 0.191) 1.164 6.970 ( -3.361 -0.786 -1.428) 3.736 7.064 ( 1.046 -4.086 1.122) 4.364 7.632 ( 0.630 2.361 0.051) 2.444 8.101 ( 0.215 2.680 0.056) 2.689 8.242 ( 0.401 -0.983 -0.263) 1.094 16.566 ( -1.215 -2.568 0.149) 2.845 16.851 ( 0.193 -1.290 0.273) 1.332 16.880 ( 0.187 -2.253 -0.558) 2.328 17.450 ( -0.858 0.592 -0.553) 1.179 17.500 ( 0.092 10.261 -0.038) 10.262 18.154 ( -0.027 -7.321 0.686) 7.353======================= Grid point 25 (13/124) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( 0.334 -0.579 0.000) 0.669 1.677 ( -6.244 10.815 0.000) 12.488 2.048 ( -1.823 3.157 -0.000) 3.645 2.195 ( 4.152 -7.191 -0.000) 8.304 2.417 ( -1.875 3.247 0.000) 3.750 2.633 ( 1.730 -2.997 0.000) 3.461 2.728 ( 0.883 -1.529 -0.000) 1.766 3.063 ( -1.734 3.003 0.000) 3.468 3.285 ( 2.217 -3.840 -0.000) 4.434 3.354 ( -4.330 7.499 0.000) 8.660 3.707 ( 2.859 -4.953 -0.000) 5.719 4.372 ( -1.356 2.349 -0.000) 2.712 5.585 ( -4.178 7.236 0.000) 8.356 6.033 ( 6.075 -10.523 -0.000) 12.151 6.319 ( 0.361 -0.625 0.000) 0.721 6.831 ( -1.497 2.593 0.000) 2.994 6.925 ( -0.152 0.263 -0.000) 0.304 7.055 ( 2.201 -3.812 -0.000) 4.402 7.649 ( -0.844 1.462 -0.000) 1.688 8.118 ( -1.516 2.626 -0.000) 3.033 8.240 ( 0.927 -1.606 0.000) 1.855 16.542 ( 0.703 -1.218 -0.000) 1.406 16.856 ( 0.391 -0.677 -0.000) 0.782 16.862 ( 1.496 -2.590 0.000) 2.991 17.445 ( -0.249 0.432 0.000) 0.499 17.558 ( -6.607 11.443 0.000) 13.214 18.111 ( 4.758 -8.241 -0.000) 9.516======================= Grid point 35 (14/124) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.915 ( 0.373 0.646 0.000) 0.745 1.823 ( 6.636 11.493 0.000) 13.271 2.080 ( -4.232 -7.330 0.000) 8.464 2.087 ( 1.026 1.778 0.000) 2.053 2.475 ( 1.440 2.495 0.000) 2.881 2.568 ( -1.859 -3.220 0.000) 3.719 2.722 ( 0.029 0.050 0.000) 0.058 3.109 ( 2.502 4.333 0.000) 5.004 3.226 ( -2.124 -3.679 0.000) 4.248 3.462 ( 3.638 6.302 0.000) 7.277 3.628 ( -3.055 -5.291 0.000) 6.109 4.400 ( 0.503 0.871 0.000) 1.006 5.710 ( 2.340 4.054 0.000) 4.681 5.872 ( -3.432 -5.945 0.000) 6.864 6.312 ( -0.248 -0.430 0.000) 0.496 6.864 ( 1.709 2.960 0.000) 3.418 6.941 ( -1.488 -2.578 0.000) 2.977 6.997 ( -1.024 -1.774 0.000) 2.049 7.664 ( 0.476 0.825 0.000) 0.952 8.155 ( 1.415 2.451 0.000) 2.830 8.214 ( -0.998 -1.728 0.000) 1.996 16.529 ( -0.590 -1.022 0.000) 1.180 16.835 ( -0.014 -0.024 0.000) 0.028 16.850 ( -0.649 -1.123 0.000) 1.297 17.446 ( -0.115 -0.199 0.000) 0.229 17.720 ( 5.908 10.232 0.000) 11.815 17.985 ( -5.098 -8.829 0.000) 10.195======================= Grid point 109 (15/124) =======================q-point: ( 0.00 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.277 ( 0.000 0.000 14.186) 14.186 0.277 ( 0.000 0.000 14.186) 14.186 0.560 ( 0.000 0.000 28.069) 28.069 1.485 ( 0.000 0.000 7.694) 7.694 2.534 ( 0.000 -0.000 -0.598) 0.598 2.534 ( 0.000 -0.000 -0.598) 0.598 3.101 ( 0.000 0.000 1.892) 1.892 3.164 ( 0.000 0.000 -1.059) 1.059 3.164 ( 0.000 -0.000 -1.059) 1.059 3.538 ( 0.000 0.000 -1.523) 1.523 3.538 ( 0.000 0.000 -1.523) 1.523 4.125 ( 0.000 0.000 -1.348) 1.348 5.918 ( -0.000 0.000 0.722) 0.722 5.918 ( -0.000 -0.000 0.722) 0.722 6.411 ( 0.000 0.000 -5.783) 5.783 6.980 ( 0.000 0.000 -2.134) 2.134 6.980 ( -0.000 -0.000 -2.134) 2.134 7.312 ( 0.000 0.000 -1.341) 1.341 7.695 ( 0.000 0.000 3.532) 3.532 8.027 ( 0.000 0.000 1.501) 1.501 8.027 ( 0.000 -0.000 1.501) 1.501 16.875 ( 0.000 0.000 0.045) 0.045 16.875 ( 0.000 0.000 0.045) 0.045 17.032 ( 0.000 0.000 -1.051) 1.051 17.032 ( 0.000 -0.000 -1.051) 1.051 17.544 ( 0.000 0.000 -0.159) 0.159 18.188 ( -0.000 0.000 -1.004) 1.004======================= Grid point 110 (16/124) =======================q-point: ( 0.10 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.422 ( 12.308 7.106 6.988) 15.837 0.461 ( 7.102 4.101 15.136) 17.215 0.878 ( 24.050 13.885 13.806) 31.013 1.564 ( 6.426 3.710 7.367) 10.456 2.533 ( 0.461 0.266 -1.097) 1.219 2.555 ( -0.906 -0.523 2.183) 2.420 2.864 ( -2.899 -1.674 2.840) 4.390 3.142 ( -3.297 -1.903 1.287) 4.018 3.165 ( -1.668 -0.963 7.735) 7.971 3.485 ( -4.028 -2.325 -1.161) 4.793 3.567 ( 3.339 1.928 -3.048) 4.915 4.415 ( 8.668 5.004 -16.515) 19.311 5.870 ( -4.247 -2.452 1.115) 5.030 5.956 ( 3.646 2.105 -0.599) 4.252 6.350 ( -3.355 -1.937 -7.186) 8.164 6.960 ( -1.648 -0.951 -2.181) 2.894 6.987 ( 0.338 0.195 -2.428) 2.459 7.348 ( 2.930 1.691 -1.342) 3.639 7.523 ( -6.908 -3.988 12.390) 14.736 8.030 ( 0.177 0.102 1.498) 1.512 8.143 ( 3.776 2.180 -2.189) 4.879 16.859 ( -1.311 -0.757 0.253) 1.535 16.871 ( -0.334 -0.193 0.203) 0.435 17.042 ( 0.751 0.434 -1.126) 1.421 17.092 ( 1.000 0.578 -1.441) 1.847 17.544 ( -0.468 -0.270 0.354) 0.646 18.206 ( 1.681 0.971 -6.000) 6.306======================= Grid point 111 (17/124) =======================q-point: ( 0.20 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.635 ( 8.115 4.685 11.875) 15.127 0.735 ( 14.059 8.117 2.145) 16.375 1.452 ( 24.054 13.888 5.638) 28.342 1.745 ( 8.434 4.870 6.851) 11.907 2.497 ( -2.741 -1.582 4.524) 5.521 2.557 ( 1.624 0.937 -1.511) 2.408 2.950 ( 6.824 3.940 -2.798) 8.361 3.050 ( -4.150 -2.396 2.757) 5.529 3.092 ( -4.041 -2.333 7.054) 8.457 3.401 ( -3.157 -1.823 0.128) 3.647 3.656 ( 3.850 2.223 -3.487) 5.649 4.467 ( -1.948 -1.125 -10.261) 10.505 5.742 ( -6.464 -3.732 1.460) 7.606 6.060 ( 4.827 2.787 -2.234) 6.005 6.285 ( -2.279 -1.316 -9.449) 9.808 6.907 ( -2.829 -1.633 -2.137) 3.903 6.988 ( -0.279 -0.161 -2.271) 2.294 7.402 ( -4.319 -2.493 11.401) 12.444 7.431 ( 3.908 2.256 -1.323) 4.703 8.036 ( 0.368 0.212 1.371) 1.436 8.201 ( 1.902 1.098 -0.215) 2.206 16.810 ( -2.915 -1.683 1.936) 3.883 16.864 ( -0.163 -0.094 0.364) 0.409 17.060 ( 0.716 0.414 -1.314) 1.553 17.076 ( -1.465 -0.846 -0.385) 1.735 17.522 ( -1.265 -0.730 0.801) 1.666 18.246 ( 1.476 0.852 -6.902) 7.109======================= Grid point 112 (18/124) =======================q-point: ( 0.30 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.821 ( 7.689 4.439 9.070) 12.693 1.043 ( 12.412 7.166 -0.182) 14.333 1.915 ( 5.846 3.375 6.571) 9.421 1.932 ( 16.858 9.733 0.562) 19.474 2.453 ( -0.904 -0.522 4.725) 4.839 2.602 ( 1.934 1.117 -1.521) 2.702 2.971 ( -3.961 -2.287 2.174) 5.064 2.973 ( -2.117 -1.222 3.305) 4.111 3.134 ( 6.083 3.512 -1.803) 7.252 3.343 ( -1.586 -0.916 4.210) 4.591 3.731 ( 2.569 1.483 -3.216) 4.375 4.386 ( -4.281 -2.472 -6.392) 8.081 5.593 ( -6.075 -3.507 1.665) 7.209 6.151 ( 2.353 1.358 -8.317) 8.749 6.254 ( 0.044 0.025 -5.716) 5.716 6.837 ( -3.083 -1.780 -2.058) 4.112 6.973 ( -0.917 -0.529 -1.210) 1.608 7.314 ( -3.373 -1.947 9.782) 10.529 7.514 ( 3.106 1.793 -1.269) 3.804 8.047 ( 0.548 0.316 1.157) 1.319 8.241 ( 1.677 0.968 0.924) 2.146 16.732 ( -3.645 -2.105 3.739) 5.630 16.865 ( 0.190 0.110 0.395) 0.452 17.052 ( -0.325 -0.188 -1.603) 1.646 17.072 ( 0.290 0.167 -1.473) 1.511 17.493 ( -1.174 -0.678 0.493) 1.443 18.267 ( 0.263 0.152 -5.685) 5.693======================= Grid point 113 (19/124) =======================q-point: ( 0.40 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( 5.059 2.921 8.277) 10.131 1.286 ( 8.390 4.844 -1.242) 9.767 2.003 ( 1.902 1.098 6.564) 6.922 2.192 ( 5.890 3.401 -3.712) 7.748 2.458 ( 0.912 0.527 4.251) 4.379 2.628 ( 0.259 0.150 -0.838) 0.890 2.909 ( -1.135 -0.656 3.325) 3.574 2.959 ( 0.529 0.306 2.724) 2.791 3.200 ( -0.474 -0.274 -2.006) 2.079 3.362 ( 2.904 1.677 4.788) 5.846 3.774 ( 1.194 0.689 -2.672) 3.007 4.301 ( -2.564 -1.481 -3.706) 4.743 5.478 ( -3.736 -2.157 1.697) 4.636 6.160 ( -0.660 -0.381 -15.042) 15.061 6.285 ( 1.533 0.885 -0.923) 1.996 6.776 ( -2.059 -1.189 -2.018) 3.119 6.955 ( -0.402 -0.232 0.560) 0.728 7.248 ( -2.295 -1.325 8.028) 8.454 7.568 ( 1.538 0.888 -1.243) 2.168 8.059 ( 0.470 0.271 0.974) 1.115 8.276 ( 1.322 0.763 1.836) 2.388 16.656 ( -2.699 -1.558 4.392) 5.386 16.870 ( 0.210 0.122 0.263) 0.358 17.065 ( 1.477 0.853 -1.562) 2.312 17.074 ( 0.012 0.007 -1.522) 1.522 17.470 ( -0.794 -0.458 0.061) 0.918 18.258 ( -0.968 -0.559 -5.173) 5.293======================= Grid point 114 (20/124) =======================q-point: (-0.50 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( 0.630 0.364 8.723) 8.753 1.408 ( 1.727 0.997 -0.790) 2.145 2.013 ( -0.751 -0.434 6.518) 6.575 2.249 ( -0.091 -0.052 -5.166) 5.167 2.461 ( -0.951 -0.549 3.253) 3.433 2.628 ( 0.185 0.107 -0.493) 0.537 2.896 ( -0.544 -0.314 3.206) 3.267 2.965 ( -0.665 -0.384 1.900) 2.050 3.174 ( -0.996 -0.575 -1.030) 1.544 3.410 ( 0.719 0.415 3.649) 3.742 3.790 ( 0.321 0.185 -2.146) 2.177 4.287 ( 1.412 0.815 -1.593) 2.279 5.431 ( -0.247 -0.142 1.523) 1.550 6.147 ( -0.327 -0.189 -15.654) 15.659 6.294 ( -0.885 -0.511 -1.611) 1.908 6.750 ( -0.037 -0.021 -2.025) 2.026 6.963 ( 1.131 0.653 1.518) 2.003 7.210 ( -0.907 -0.524 7.129) 7.206 7.584 ( -0.105 -0.061 -1.302) 1.307 8.065 ( 0.048 0.027 0.930) 0.932 8.299 ( 0.625 0.361 2.567) 2.667 16.617 ( -0.519 -0.300 4.082) 4.126 16.871 ( -0.181 -0.104 0.053) 0.215 17.075 ( 0.057 0.033 -1.475) 1.476 17.115 ( 2.679 1.547 0.486) 3.131 17.456 ( -0.346 -0.200 -0.372) 0.546 18.227 ( -1.567 -0.905 -6.077) 6.341======================= Grid point 116 (21/124) =======================q-point: (-0.40 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( -4.098 -2.366 9.622) 10.722 1.356 ( -6.131 -3.540 1.320) 7.202 1.977 ( -2.409 -1.391 5.984) 6.599 2.172 ( -7.932 -4.579 -6.201) 11.061 2.425 ( -1.302 -0.752 4.892) 5.118 2.643 ( 0.866 0.500 -0.478) 1.109 2.891 ( 0.577 0.333 1.983) 2.092 2.922 ( -2.612 -1.508 1.002) 3.178 3.157 ( -0.922 -0.533 -2.950) 3.136 3.403 ( -0.563 -0.325 5.649) 5.686 3.789 ( -0.516 -0.298 -1.756) 1.855 4.353 ( 3.850 2.223 -1.602) 4.726 5.467 ( 3.330 1.923 1.176) 4.021 6.144 ( -0.220 -0.127 -14.170) 14.172 6.250 ( -2.479 -1.431 -3.192) 4.288 6.774 ( 2.016 1.164 -2.052) 3.103 6.998 ( 1.442 0.832 0.149) 1.672 7.214 ( 1.455 0.840 8.307) 8.475 7.564 ( -1.655 -0.955 -1.404) 2.371 8.061 ( -0.439 -0.254 1.022) 1.141 8.303 ( -0.329 -0.190 2.892) 2.917 16.633 ( 1.829 1.056 3.241) 3.869 16.863 ( -0.448 -0.258 -0.073) 0.522 17.076 ( 0.025 0.014 -1.429) 1.430 17.177 ( 2.451 1.415 3.646) 4.615 17.456 ( 0.439 0.254 -0.599) 0.785 18.192 ( -1.348 -0.778 -8.152) 8.299======================= Grid point 117 (22/124) =======================q-point: (-0.30 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.861 ( -7.464 -4.310 10.853) 13.859 1.145 ( -11.729 -6.772 3.767) 14.058 1.864 ( -18.172 -10.491 -3.037) 21.202 1.891 ( -5.339 -3.082 5.938) 8.559 2.428 ( 1.509 0.871 4.815) 5.121 2.644 ( -1.314 -0.759 0.104) 1.521 2.889 ( 0.706 0.408 -0.712) 1.083 2.911 ( 0.106 0.061 -0.259) 0.286 3.112 ( -2.482 -1.433 -2.804) 4.010 3.428 ( 2.972 1.716 7.281) 8.049 3.762 ( -1.922 -1.109 -1.451) 2.651 4.441 ( 3.377 1.949 -4.579) 6.014 5.576 ( 5.886 3.398 0.794) 6.842 6.100 ( -3.785 -2.185 -5.511) 7.034 6.228 ( 1.036 0.598 -10.336) 10.405 6.835 ( 3.108 1.795 -2.077) 4.147 7.015 ( 0.033 0.019 -1.987) 1.987 7.280 ( 4.043 2.334 10.247) 11.261 7.509 ( -3.047 -1.759 -1.451) 3.806 8.048 ( -0.623 -0.359 1.169) 1.372 8.284 ( -1.361 -0.786 2.533) 2.981 16.695 ( 3.337 1.927 2.160) 4.418 16.855 ( -0.209 -0.120 -0.073) 0.252 17.073 ( -0.349 -0.201 -1.399) 1.456 17.216 ( 0.736 0.425 5.359) 5.426 17.480 ( 1.570 0.906 0.166) 1.820 18.169 ( -0.641 -0.370 -10.113) 10.140======================= Grid point 118 (23/124) =======================q-point: (-0.20 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.670 ( -8.882 -5.128 12.497) 16.166 0.840 ( -14.333 -8.275 6.087) 17.634 1.375 ( -23.675 -13.669 2.373) 27.441 1.734 ( -7.887 -4.553 6.574) 11.232 2.486 ( 3.358 1.939 5.048) 6.365 2.595 ( -2.275 -1.314 0.230) 2.637 2.856 ( -4.135 -2.387 -2.976) 5.626 2.956 ( 4.564 2.635 -1.902) 5.602 3.100 ( 1.525 0.880 2.647) 3.179 3.511 ( 3.371 1.946 5.416) 6.670 3.699 ( -3.492 -2.016 -1.139) 4.190 4.489 ( 0.337 0.194 -10.512) 10.520 5.723 ( 6.567 3.791 0.527) 7.601 6.006 ( -3.788 -2.187 -1.159) 4.525 6.274 ( 2.659 1.535 -11.117) 11.534 6.907 ( 2.899 1.674 -2.089) 3.946 7.005 ( -0.718 -0.415 -2.725) 2.849 7.386 ( 4.977 2.874 11.364) 12.735 7.428 ( -3.788 -2.187 -1.409) 4.596 8.035 ( -0.440 -0.254 1.305) 1.401 8.241 ( -2.444 -1.411 1.092) 3.026 16.776 ( 3.464 2.000 1.113) 4.152 16.856 ( 0.298 0.172 -0.032) 0.346 17.060 ( -0.775 -0.448 -1.312) 1.588 17.209 ( -1.316 -0.760 3.640) 3.945 17.520 ( 1.633 0.943 1.219) 2.245 18.164 ( 0.189 0.109 -9.994) 9.996======================= Grid point 119 (24/124) =======================q-point: (-0.10 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.459 ( -9.881 -5.705 12.292) 16.771 0.509 ( -13.820 -7.979 9.332) 18.486 0.830 ( -21.572 -12.455 13.873) 28.512 1.562 ( -6.224 -3.593 7.327) 10.263 2.548 ( 0.415 0.239 1.472) 1.548 2.553 ( -1.309 -0.756 -0.132) 1.517 2.838 ( 6.472 3.736 4.542) 8.745 3.073 ( 5.163 2.981 -2.140) 6.334 3.150 ( 2.303 1.330 6.008) 6.570 3.553 ( -0.078 -0.045 0.822) 0.827 3.609 ( -4.058 -2.343 -0.904) 4.773 4.408 ( -9.239 -5.334 -17.627) 20.604 5.857 ( 4.680 2.702 0.486) 5.426 5.942 ( -1.738 -1.004 0.973) 2.231 6.346 ( 3.639 2.101 -7.753) 8.819 6.961 ( 1.666 0.962 -2.094) 2.843 6.988 ( -0.656 -0.379 -2.626) 2.733 7.348 ( -2.887 -1.667 -1.352) 3.598 7.517 ( 7.216 4.166 12.261) 14.824 8.028 ( -0.151 -0.087 1.420) 1.431 8.162 ( -4.975 -2.872 -1.927) 6.059 16.845 ( 2.377 1.372 0.425) 2.777 16.866 ( 0.531 0.307 -0.010) 0.613 17.041 ( -0.748 -0.432 -1.157) 1.444 17.143 ( -4.923 -2.842 -1.432) 5.862 17.544 ( 0.393 0.227 0.426) 0.623 18.177 ( 0.833 0.481 -6.040) 6.116======================= Grid point 121 (25/124) =======================q-point: ( 0.10 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( 3.612 8.832 13.137) 16.237 0.708 ( 4.807 17.449 4.813) 18.728 1.260 ( 16.732 22.436 5.894) 28.601 1.691 ( 5.187 8.354 6.932) 12.031 2.515 ( -1.361 -2.996 4.597) 5.653 2.559 ( -0.579 1.930 -0.704) 2.135 2.869 ( 5.499 2.539 -1.221) 6.179 3.010 ( -0.682 -6.750 -0.427) 6.798 3.134 ( 0.295 -2.182 5.168) 5.618 3.475 ( -6.063 -0.938 1.305) 6.272 3.660 ( 0.698 5.117 -1.259) 5.316 4.477 ( -0.362 0.443 -12.192) 12.205 5.809 ( -1.835 -4.077 -0.690) 4.524 5.972 ( 3.076 0.672 0.999) 3.303 6.293 ( -1.426 -3.209 -10.297) 10.880 6.925 ( -1.462 -2.547 -2.051) 3.582 6.995 ( -0.246 0.576 -2.663) 2.736 7.404 ( 1.262 1.935 1.270) 2.636 7.427 ( -1.284 -3.216 9.061) 9.700 8.035 ( 0.372 0.494 1.417) 1.546 8.205 ( -0.020 3.124 -0.120) 3.126 16.796 ( -1.064 -3.727 1.248) 4.072 16.883 ( 1.128 -0.125 -0.390) 1.201 17.020 ( -2.341 -1.191 0.240) 2.638 17.174 ( -1.675 4.903 -0.085) 5.182 17.529 ( -0.713 -1.221 0.994) 1.728 18.199 ( 2.867 -1.225 -8.056) 8.638======================= Grid point 122 (26/124) =======================q-point: ( 0.20 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.758 ( 5.453 7.020 10.480) 13.742 0.988 ( 7.619 15.675 1.587) 17.501 1.744 ( 16.393 13.838 1.269) 21.490 1.875 ( 6.129 8.153 6.890) 12.309 2.469 ( -1.443 -0.924 4.340) 4.666 2.583 ( 1.366 1.445 -1.001) 2.227 2.909 ( -0.508 -7.046 1.929) 7.323 3.009 ( 3.490 1.243 -1.630) 4.048 3.119 ( -0.016 2.266 2.983) 3.746 3.382 ( -3.669 -0.179 1.832) 4.105 3.718 ( 1.216 2.915 -1.333) 3.428 4.425 ( -3.256 -2.747 -7.499) 8.625 5.701 ( -7.181 -0.667 0.135) 7.213 6.058 ( 6.835 -2.325 -0.891) 7.274 6.241 ( -0.932 -2.765 -11.448) 11.814 6.866 ( -2.297 -2.316 -1.888) 3.769 6.987 ( -1.002 0.033 -2.248) 2.462 7.331 ( -2.407 -4.282 10.505) 11.597 7.495 ( 2.580 3.746 -1.337) 4.741 8.050 ( 0.348 1.217 1.395) 1.884 8.233 ( 0.534 1.724 0.826) 1.985 16.738 ( -1.239 -4.091 2.626) 5.016 16.889 ( -1.069 1.011 0.118) 1.476 16.961 ( -0.151 -4.541 0.382) 4.559 17.199 ( -2.479 7.448 -1.540) 7.999 17.502 ( -0.914 -1.166 0.773) 1.671 18.228 ( 2.320 -2.454 -6.816) 7.607======================= Grid point 123 (27/124) =======================q-point: ( 0.30 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.911 ( 5.357 4.269 8.782) 11.137 1.256 ( 6.104 13.470 -0.323) 14.792 1.988 ( 3.840 4.004 4.723) 7.286 2.107 ( 8.729 6.741 -0.398) 11.036 2.449 ( -0.480 0.034 3.927) 3.956 2.625 ( 1.459 1.074 -0.670) 1.931 2.841 ( 0.738 -5.747 2.479) 6.303 3.020 ( -1.186 1.888 2.871) 3.635 3.188 ( 2.302 1.405 -3.159) 4.154 3.353 ( -0.366 2.163 4.794) 5.272 3.756 ( 1.179 0.398 -1.297) 1.798 4.341 ( -3.350 -1.599 -5.067) 6.282 5.573 ( -7.365 1.218 1.007) 7.533 6.132 ( 4.131 -3.177 -7.349) 9.009 6.215 ( 1.885 -3.435 -7.282) 8.269 6.808 ( -2.366 -0.855 -1.865) 3.132 6.964 ( -1.152 -0.444 -0.896) 1.525 7.256 ( -1.636 -3.691 9.077) 9.934 7.564 ( 1.407 2.931 -1.325) 3.511 8.069 ( -0.048 1.900 1.271) 2.287 8.259 ( 1.161 0.590 1.492) 1.980 16.672 ( -1.882 -3.356 4.032) 5.573 16.875 ( -0.827 0.294 0.568) 1.045 16.936 ( 2.455 -5.126 -0.844) 5.746 17.235 ( -3.491 9.952 -2.394) 10.815 17.478 ( -0.775 -0.660 0.346) 1.075 18.227 ( 1.410 -4.136 -5.418) 6.961======================= Grid point 124 (28/124) =======================q-point: ( 0.40 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( 2.897 1.057 8.572) 9.110 1.443 ( 1.096 10.363 -1.020) 10.471 2.046 ( -0.809 3.231 6.218) 7.054 2.226 ( 2.535 -0.567 -3.939) 4.719 2.442 ( 0.283 -1.540 3.139) 3.508 2.644 ( -0.251 1.162 -0.288) 1.223 2.826 ( 2.701 -4.570 3.023) 6.109 3.028 ( -1.601 2.948 2.204) 4.014 3.199 ( -1.181 1.058 -2.450) 2.919 3.392 ( 1.457 1.294 4.638) 5.031 3.771 ( 1.237 -1.217 -1.062) 2.034 4.296 ( -1.233 1.054 -3.219) 3.605 5.489 ( -4.549 3.136 1.377) 5.694 6.139 ( 0.665 -1.916 -13.960) 14.107 6.226 ( 3.752 -5.926 -2.290) 7.378 6.773 ( -1.725 0.990 -2.047) 2.854 6.952 ( 0.387 -0.231 0.712) 0.842 7.205 ( -0.456 -2.904 7.740) 8.279 7.599 ( -0.205 1.968 -1.331) 2.384 8.083 ( -0.727 2.020 1.125) 2.423 8.282 ( 1.274 -0.297 2.189) 2.550 16.619 ( -0.885 -1.960 4.333) 4.837 16.869 ( 0.006 -0.343 0.199) 0.397 16.938 ( 3.753 -5.221 -0.433) 6.445 17.276 ( -4.279 11.537 -2.041) 12.473 17.462 ( -0.640 -0.167 -0.138) 0.675 18.199 ( 1.076 -5.262 -5.299) 7.545======================= Grid point 125 (29/124) =======================q-point: (-0.50 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.023 ( -1.274 -1.706 9.158) 9.403 1.478 ( -6.594 5.445 0.200) 8.554 2.031 ( -3.576 1.593 6.007) 7.170 2.216 ( -1.565 -3.366 -5.294) 6.466 2.430 ( -0.096 -0.841 3.528) 3.629 2.651 ( -0.336 1.148 0.024) 1.196 2.820 ( 2.040 -4.418 2.545) 5.492 3.003 ( -3.547 1.318 0.910) 3.892 3.188 ( -1.892 1.870 -2.682) 3.777 3.407 ( -0.255 -0.168 5.171) 5.180 3.777 ( 1.023 -1.468 -0.809) 1.964 4.319 ( 1.859 1.918 -2.232) 3.481 5.486 ( -0.789 5.660 1.228) 5.845 6.132 ( 0.672 -2.035 -13.257) 13.429 6.211 ( 1.812 -6.327 -3.640) 7.520 6.771 ( -0.086 1.770 -2.042) 2.704 6.975 ( 1.876 0.367 0.497) 1.975 7.187 ( 1.267 -1.570 7.911) 8.165 7.596 ( -1.794 1.081 -1.416) 2.528 8.082 ( -1.345 1.520 1.101) 2.309 8.294 ( 0.720 -0.894 2.668) 2.904 16.609 ( 1.234 -0.429 3.834) 4.051 16.863 ( -0.072 -0.683 -0.060) 0.689 16.960 ( 4.510 -4.953 0.449) 6.713 17.311 ( -4.912 10.976 -0.260) 12.028 17.453 ( -0.122 -0.171 -0.579) 0.616 18.168 ( 1.282 -4.565 -6.689) 8.199======================= Grid point 126 (30/124) =======================q-point: (-0.40 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.938 ( -5.570 -3.204 10.046) 11.925 1.329 ( -13.194 -0.038 2.514) 13.431 1.956 ( -5.820 -1.654 3.005) 6.755 2.074 ( -11.330 -3.200 -1.897) 11.925 2.430 ( -0.091 1.546 4.259) 4.532 2.646 ( -0.491 -1.180 0.187) 1.291 2.824 ( 2.692 -2.702 1.209) 4.001 2.963 ( -2.096 2.108 0.378) 2.997 3.160 ( -3.098 0.546 -3.992) 5.083 3.402 ( 0.521 0.265 6.462) 6.488 3.772 ( -0.290 -1.222 -0.558) 1.375 4.383 ( 3.821 0.513 -3.350) 5.107 5.568 ( 2.160 7.723 0.602) 8.042 6.098 ( -0.612 -5.848 -5.093) 7.778 6.196 ( 1.840 -1.618 -10.932) 11.204 6.805 ( 2.033 1.563 -1.911) 3.199 7.004 ( 1.088 -0.273 -1.577) 1.936 7.226 ( 3.828 0.503 9.680) 10.421 7.559 ( -3.295 0.322 -1.499) 3.634 8.068 ( -1.541 0.819 1.205) 2.120 8.287 ( -0.289 -1.336 2.603) 2.940 16.650 ( 3.136 0.612 2.965) 4.359 16.859 ( 0.064 0.050 -0.137) 0.160 16.987 ( 4.066 -4.760 0.953) 6.332 17.311 ( -5.353 6.403 1.459) 8.473 17.463 ( 1.204 0.508 -0.223) 1.325 18.158 ( 1.223 -1.779 -8.563) 8.831======================= Grid point 127 (31/124) =======================q-point: (-0.30 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.781 ( -8.517 -3.189 11.308) 14.511 1.048 ( -16.483 -3.782 4.012) 17.381 1.699 ( -20.965 -3.702 -0.905) 21.308 1.865 ( -9.855 -0.226 6.540) 11.829 2.459 ( 1.596 1.717 4.563) 5.130 2.606 ( -1.562 -2.538 -0.033) 2.980 2.870 ( 3.621 0.464 -0.283) 3.662 2.958 ( -2.425 2.484 -1.701) 3.866 3.112 ( -1.781 1.044 0.017) 2.064 3.438 ( 3.625 -1.397 4.763) 6.146 3.737 ( -2.441 -1.198 -0.344) 2.741 4.449 ( 3.638 -0.822 -6.880) 7.826 5.697 ( 3.749 6.878 -0.439) 7.845 6.018 ( -1.814 -4.377 -0.640) 4.781 6.233 ( 2.885 0.262 -12.475) 12.807 6.865 ( 3.225 0.921 -1.914) 3.862 7.006 ( -0.007 -0.849 -2.603) 2.738 7.317 ( 5.199 1.338 10.725) 11.993 7.492 ( -4.491 -0.140 -1.459) 4.724 8.049 ( -1.213 0.301 1.328) 1.824 8.257 ( -1.417 -1.682 1.747) 2.809 16.720 ( 3.976 0.760 2.020) 4.524 16.869 ( 0.053 1.668 -0.325) 1.701 17.004 ( 3.216 -4.310 0.992) 5.468 17.259 ( -4.403 0.485 1.318) 4.621 17.497 ( 1.765 0.706 0.881) 2.095 18.173 ( 0.504 1.473 -9.227) 9.358======================= Grid point 132 (32/124) =======================q-point: ( 0.20 0.20 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.893 ( 2.520 6.074 9.820) 11.818 1.308 ( 6.126 15.676 1.815) 16.928 1.942 ( 5.632 6.433 -0.273) 8.554 2.061 ( 6.053 8.806 3.767) 11.330 2.462 ( 0.456 -0.040 3.531) 3.560 2.610 ( -0.017 1.282 0.169) 1.293 2.804 ( -1.605 -3.427 1.467) 4.058 3.008 ( 2.385 -0.492 0.962) 2.618 3.170 ( 1.981 2.489 -3.006) 4.377 3.394 ( -1.073 1.315 4.309) 4.631 3.751 ( -0.413 0.338 0.715) 0.892 4.374 ( -2.583 -2.070 -5.176) 6.144 5.685 ( -1.344 -1.712 -0.795) 2.318 6.008 ( 1.032 -1.659 0.491) 2.015 6.189 ( -0.890 -2.246 -13.847) 14.057 6.824 ( -0.766 -1.659 -1.610) 2.435 6.987 ( -1.617 -0.212 -2.378) 2.884 7.240 ( -1.603 -4.639 10.097) 11.227 7.566 ( 2.032 3.192 -1.498) 4.070 8.081 ( 1.154 1.782 1.474) 2.584 8.260 ( -0.556 0.943 1.811) 2.116 16.661 ( -1.240 -3.492 3.280) 4.948 16.874 ( 0.768 -2.070 -0.430) 2.250 16.912 ( -3.646 -0.729 1.315) 3.944 17.351 ( 1.250 7.436 -1.644) 7.718 17.478 ( 0.002 -1.126 0.698) 1.325 18.159 ( 0.340 -4.083 -6.940) 8.060======================= Grid point 133 (33/124) =======================q-point: ( 0.30 0.20 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.979 ( 2.391 2.436 8.971) 9.598 1.546 ( 2.961 14.881 -0.049) 15.173 2.063 ( 3.497 3.122 1.899) 5.058 2.172 ( 1.607 -0.506 1.254) 2.100 2.457 ( -1.654 0.991 2.141) 2.881 2.631 ( 1.830 -1.042 0.628) 2.198 2.762 ( 0.018 -1.871 2.563) 3.173 3.047 ( 1.596 1.268 0.910) 2.232 3.208 ( 0.775 0.619 -3.797) 3.925 3.416 ( -0.224 4.046 5.095) 6.510 3.734 ( 0.110 -2.594 1.305) 2.906 4.332 ( -1.437 0.645 -4.669) 4.927 5.627 ( -5.703 3.838 0.348) 6.883 6.019 ( 5.080 -7.502 -0.693) 9.086 6.160 ( -0.176 -1.810 -14.015) 14.133 6.810 ( -0.671 1.097 -1.732) 2.157 6.952 ( -1.331 -0.931 -1.415) 2.154 7.177 ( -0.635 -3.946 9.229) 10.057 7.618 ( 0.702 2.263 -1.457) 2.782 8.117 ( 0.142 2.807 1.555) 3.212 8.259 ( 0.365 -0.625 1.920) 2.052 16.610 ( -0.947 -2.641 4.220) 5.068 16.858 ( 0.654 -2.067 0.328) 2.193 16.873 ( -0.654 -1.015 -0.035) 1.208 17.424 ( -1.003 5.190 -2.102) 5.688 17.492 ( -0.423 5.712 -0.621) 5.761 18.108 ( 0.788 -7.617 -5.219) 9.267======================= Grid point 134 (34/124) =======================q-point: ( 0.40 0.20 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.016 ( 0.543 -0.412 8.931) 8.957 1.669 ( -5.071 11.454 -0.575) 12.540 2.113 ( -3.158 1.831 6.226) 7.217 2.154 ( 3.535 -5.139 -3.115) 6.972 2.441 ( -1.243 1.893 1.757) 2.866 2.641 ( 1.561 -2.706 0.730) 3.208 2.759 ( 0.953 -1.099 2.974) 3.311 3.061 ( -2.116 1.385 -0.337) 2.552 3.219 ( 0.651 -0.653 -3.873) 3.982 3.441 ( -2.272 4.305 5.942) 7.681 3.721 ( 2.387 -3.711 1.417) 4.634 4.330 ( -0.546 1.874 -4.230) 4.659 5.594 ( -3.956 7.073 0.987) 8.164 6.022 ( 5.008 -9.605 -1.565) 10.944 6.148 ( 0.538 -1.252 -14.074) 14.140 6.810 ( -1.719 2.467 -2.128) 3.684 6.942 ( 1.524 -0.878 -0.646) 1.874 7.145 ( 0.921 -2.674 8.862) 9.303 7.634 ( -0.877 1.391 -1.467) 2.204 8.133 ( -1.730 2.776 1.458) 3.581 8.263 ( 1.322 -1.568 2.253) 3.047 16.585 ( 0.478 -1.244 4.311) 4.512 16.854 ( -0.123 -1.311 -0.052) 1.318 16.867 ( 2.289 -1.712 0.414) 2.888 17.438 ( -0.052 0.978 -0.628) 1.163 17.536 ( -5.669 10.795 -2.186) 12.387 18.059 ( 3.610 -8.334 -5.176) 10.454======================= Grid point 136 (35/124) =======================q-point: (-0.50 0.20 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.987 ( -2.835 -1.491 9.340) 9.874 1.576 ( -13.320 2.696 1.092) 13.634 2.040 ( -4.534 -0.339 1.289) 4.726 2.164 ( -1.257 -0.730 0.433) 1.516 2.453 ( -0.312 2.330 2.402) 3.361 2.633 ( 0.450 -2.510 0.778) 2.666 2.767 ( 1.354 -0.939 2.728) 3.187 3.020 ( -2.941 1.197 -0.507) 3.216 3.210 ( -1.511 -0.109 -3.914) 4.197 3.425 ( -2.484 1.380 5.790) 6.449 3.739 ( 2.418 -1.787 1.349) 3.295 4.345 ( 0.908 0.429 -4.097) 4.218 5.630 ( -0.462 6.958 0.372) 6.984 6.005 ( 3.210 -7.358 -0.790) 8.067 6.156 ( 1.417 -0.340 -14.425) 14.498 6.806 ( -0.583 1.367 -1.745) 2.292 6.972 ( 2.082 -0.779 -1.881) 2.912 7.164 ( 3.212 -0.387 9.704) 10.229 7.616 ( -2.405 0.665 -1.519) 2.922 8.115 ( -2.497 1.363 1.443) 3.190 8.269 ( 0.821 -1.337 2.309) 2.791 16.604 ( 2.376 0.015 3.896) 4.564 16.849 ( 0.725 -0.485 -0.002) 0.872 16.893 ( 2.583 -1.944 0.736) 3.316 17.448 ( 0.212 -0.313 -0.710) 0.805 17.491 ( -8.025 5.376 -0.903) 9.701 18.082 ( 5.118 -2.610 -6.399) 8.600======================= Grid point 144 (36/124) =======================q-point: ( 0.30 0.30 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.008 ( 0.269 0.613 8.964) 8.989 1.817 ( 5.530 11.196 -0.455) 12.496 2.049 ( -2.008 -5.550 -2.188) 6.294 2.154 ( 0.117 0.635 6.060) 6.094 2.489 ( 1.174 2.024 1.086) 2.580 2.577 ( -1.815 -3.329 0.812) 3.877 2.758 ( 0.040 0.447 3.549) 3.577 3.093 ( 2.556 3.308 -1.672) 4.503 3.189 ( -1.824 -2.561 -3.079) 4.401 3.515 ( 3.077 5.304 4.683) 7.716 3.658 ( -2.747 -4.557 2.967) 6.092 4.350 ( 0.269 0.706 -5.042) 5.099 5.713 ( 2.259 4.292 0.459) 4.872 5.874 ( -3.137 -6.011 0.318) 6.788 6.138 ( -0.254 -0.516 -15.050) 15.061 6.848 ( 1.660 2.420 -1.931) 3.512 6.920 ( -1.811 -2.267 -2.096) 3.579 7.118 ( -0.700 -1.577 9.979) 10.127 7.649 ( 0.493 0.816 -1.505) 1.781 8.173 ( 1.570 2.499 1.752) 3.432 8.235 ( -1.188 -1.704 2.024) 2.900 16.573 ( -0.498 -0.976 4.394) 4.529 16.837 ( 0.073 -0.068 0.192) 0.216 16.852 ( -0.838 -1.059 0.228) 1.370 17.441 ( -0.133 -0.131 -0.465) 0.501 17.689 ( 5.107 9.826 -3.065) 11.490 17.938 ( -4.268 -8.532 -4.608) 10.595======================= Grid point 218 (37/124) =======================q-point: ( 0.00 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.555 ( 0.000 -0.000 14.160) 14.160 0.555 ( 0.000 0.000 14.160) 14.160 1.090 ( 0.000 0.000 25.759) 25.759 1.682 ( 0.000 0.000 11.672) 11.672 2.512 ( 0.000 0.000 -1.690) 1.690 2.512 ( 0.000 0.000 -1.690) 1.690 3.133 ( 0.000 -0.000 -2.039) 2.039 3.133 ( 0.000 0.000 -2.039) 2.039 3.152 ( -0.000 0.000 3.111) 3.111 3.497 ( -0.000 0.000 -2.521) 2.521 3.497 ( -0.000 -0.000 -2.521) 2.521 4.085 ( 0.000 0.000 -2.746) 2.746 5.946 ( -0.000 0.000 2.295) 2.295 5.946 ( 0.000 -0.000 2.295) 2.295 6.267 ( 0.000 0.000 -8.375) 8.375 6.915 ( 0.000 0.000 -4.444) 4.444 6.915 ( 0.000 0.000 -4.444) 4.444 7.275 ( 0.000 0.000 -2.323) 2.323 7.779 ( 0.000 0.000 4.614) 4.614 8.068 ( 0.000 0.000 2.522) 2.522 8.068 ( 0.000 -0.000 2.522) 2.522 16.876 ( -0.000 0.000 0.089) 0.089 16.876 ( 0.000 0.000 0.089) 0.089 17.003 ( 0.000 0.000 -1.781) 1.781 17.003 ( 0.000 -0.000 -1.781) 1.781 17.540 ( 0.000 0.000 -0.237) 0.237 18.160 ( 0.000 0.000 -1.704) 1.704======================= Grid point 219 (38/124) =======================q-point: ( 0.10 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.612 ( 6.925 3.998 11.544) 14.043 0.746 ( 9.512 5.492 13.619) 17.496 1.217 ( 11.917 6.880 19.474) 23.845 1.754 ( 5.890 3.400 11.344) 13.226 2.504 ( 0.133 0.077 -1.970) 1.976 2.565 ( 2.508 1.448 -0.861) 3.022 2.897 ( -6.166 -3.560 0.905) 7.177 3.160 ( -1.190 -0.687 0.488) 1.458 3.277 ( 2.387 1.378 3.530) 4.479 3.468 ( -4.296 -2.481 -0.885) 5.039 3.492 ( 2.048 1.182 -4.415) 5.009 4.177 ( 5.658 3.267 -8.488) 10.712 5.906 ( -3.864 -2.231 2.709) 5.220 5.949 ( 0.474 0.273 -0.036) 0.548 6.206 ( -3.587 -2.071 -7.236) 8.337 6.894 ( -1.689 -0.975 -4.588) 4.986 6.922 ( 0.368 0.212 -4.304) 4.325 7.311 ( 2.925 1.689 -2.322) 4.099 7.710 ( -4.433 -2.559 7.347) 8.954 8.070 ( 0.104 0.060 2.489) 2.492 8.135 ( 3.963 2.288 1.063) 4.698 16.863 ( -0.761 -0.439 0.295) 0.927 16.875 ( -0.168 -0.097 0.223) 0.296 17.011 ( 0.567 0.327 -1.918) 2.027 17.062 ( 3.057 1.765 -1.879) 3.999 17.544 ( 0.178 0.103 -0.251) 0.325 18.118 ( -2.478 -1.430 -3.332) 4.392======================= Grid point 220 (39/124) =======================q-point: ( 0.20 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( 10.687 6.170 6.736) 14.059 0.916 ( 6.152 3.552 15.666) 17.201 1.589 ( 18.019 10.403 8.167) 22.352 1.921 ( 7.806 4.507 10.517) 13.851 2.522 ( 1.579 0.912 -2.002) 2.708 2.567 ( -1.876 -1.083 2.047) 2.981 2.902 ( 4.841 2.795 -1.888) 5.900 3.104 ( -3.010 -1.738 2.777) 4.449 3.221 ( -5.786 -3.340 5.062) 8.382 3.421 ( 0.335 0.194 1.752) 1.794 3.566 ( 3.674 2.121 -5.655) 7.070 4.258 ( 1.081 0.624 -9.932) 10.010 5.786 ( -6.137 -3.543 3.205) 7.778 5.934 ( -2.133 -1.231 -9.311) 9.631 6.172 ( 1.108 0.640 -2.162) 2.512 6.842 ( -2.769 -1.598 -4.609) 5.609 6.929 ( 0.190 0.110 -3.959) 3.965 7.394 ( 3.918 2.262 -2.339) 5.093 7.606 ( -4.533 -2.617 8.874) 10.303 8.073 ( 0.184 0.106 2.318) 2.328 8.215 ( 3.036 1.753 1.633) 3.867 16.841 ( -1.190 -0.687 1.279) 1.877 16.872 ( -0.069 -0.040 0.385) 0.393 17.024 ( 0.503 0.290 -2.216) 2.291 17.088 ( -0.812 -0.469 0.878) 1.285 17.535 ( -1.120 -0.647 0.409) 1.356 18.090 ( 0.199 0.115 -7.882) 7.885======================= Grid point 221 (40/124) =======================q-point: ( 0.30 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( 6.028 3.480 14.036) 15.667 1.072 ( 10.339 5.969 3.072) 12.327 1.956 ( 12.717 7.342 1.949) 14.812 2.077 ( 5.282 3.049 9.274) 11.100 2.524 ( -1.434 -0.828 2.166) 2.727 2.574 ( 2.569 1.483 -1.158) 3.184 2.998 ( 1.220 0.705 0.626) 1.542 3.044 ( -1.920 -1.109 3.823) 4.419 3.131 ( -0.026 -0.015 0.996) 0.997 3.435 ( 0.756 0.437 4.862) 4.940 3.644 ( 2.961 1.709 -5.642) 6.596 4.245 ( -1.463 -0.844 -7.241) 7.436 5.644 ( -5.871 -3.390 3.626) 7.688 5.872 ( -2.707 -1.563 -15.610) 15.920 6.224 ( 2.594 1.498 -0.166) 3.000 6.773 ( -3.006 -1.736 -4.522) 5.701 6.931 ( 0.047 0.027 -3.255) 3.255 7.477 ( 3.142 1.814 -2.338) 4.316 7.505 ( -4.148 -2.395 8.991) 10.188 8.079 ( 0.321 0.186 2.050) 2.083 8.279 ( 2.544 1.469 2.717) 4.001 16.809 ( -1.639 -0.946 3.676) 4.135 16.873 ( 0.130 0.075 0.395) 0.422 17.032 ( 0.175 0.101 -2.445) 2.454 17.052 ( -1.490 -0.860 1.412) 2.226 17.500 ( -1.598 -0.923 0.275) 1.866 18.107 ( 0.761 0.439 -9.673) 9.713======================= Grid point 222 (41/124) =======================q-point: ( 0.40 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( 4.827 2.787 12.673) 13.844 1.281 ( 7.467 4.311 0.726) 8.653 2.147 ( 4.162 2.403 -0.861) 4.882 2.158 ( 1.887 1.089 8.355) 8.634 2.504 ( -0.460 -0.265 0.853) 1.005 2.617 ( 0.850 0.491 0.093) 0.986 2.987 ( -0.764 -0.441 3.937) 4.034 3.023 ( -0.057 -0.033 3.724) 3.724 3.164 ( 0.830 0.479 -1.893) 2.122 3.461 ( 1.522 0.879 5.158) 5.449 3.698 ( 1.795 1.036 -4.977) 5.392 4.221 ( -0.209 -0.121 -4.125) 4.133 5.531 ( -3.717 -2.146 3.865) 5.776 5.821 ( -1.637 -0.945 -17.947) 18.046 6.269 ( 1.009 0.582 -0.584) 1.303 6.713 ( -2.020 -1.166 -4.428) 5.005 6.935 ( 0.368 0.212 -2.550) 2.585 7.422 ( -2.905 -1.677 8.782) 9.401 7.532 ( 1.548 0.894 -2.307) 2.919 8.087 ( 0.321 0.185 1.789) 1.827 8.331 ( 1.953 1.127 3.498) 4.161 16.764 ( -2.112 -1.219 6.226) 6.687 16.875 ( 0.040 0.023 0.242) 0.246 17.034 ( 0.019 0.011 -2.511) 2.511 17.050 ( 1.662 0.960 -0.031) 1.920 17.468 ( -1.170 -0.675 -0.227) 1.370 18.108 ( -0.867 -0.501 -9.495) 9.548======================= Grid point 223 (42/124) =======================q-point: (-0.50 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 1.265 0.730 12.802) 12.885 1.397 ( 2.363 1.365 -0.028) 2.729 2.172 ( -0.525 -0.303 8.734) 8.755 2.175 ( -1.322 -0.763 -2.164) 2.648 2.499 ( 0.063 0.036 1.090) 1.092 2.620 ( -0.154 -0.089 -0.036) 0.182 2.959 ( -1.703 -0.983 2.371) 3.080 3.016 ( -1.233 -0.712 3.157) 3.463 3.157 ( -1.276 -0.737 -0.944) 1.750 3.494 ( 1.173 0.677 4.825) 5.011 3.728 ( 0.838 0.484 -4.146) 4.257 4.243 ( 1.996 1.153 -2.710) 3.558 5.482 ( -0.456 -0.263 3.823) 3.859 5.801 ( -0.073 -0.042 -18.346) 18.346 6.265 ( -1.318 -0.761 -0.971) 1.806 6.688 ( -0.028 -0.016 -4.368) 4.368 6.948 ( 0.661 0.382 -2.628) 2.737 7.380 ( -0.559 -0.323 8.954) 8.977 7.548 ( -0.152 -0.088 -2.298) 2.304 8.091 ( 0.051 0.030 1.668) 1.669 8.365 ( 0.912 0.526 3.846) 3.988 16.724 ( -1.110 -0.641 6.417) 6.544 16.872 ( -0.312 -0.180 0.072) 0.367 17.035 ( 0.101 0.058 -2.475) 2.478 17.127 ( 4.776 2.757 0.666) 5.555 17.447 ( -0.660 -0.381 -0.552) 0.941 18.067 ( -2.641 -1.525 -9.754) 10.219======================= Grid point 225 (43/124) =======================q-point: (-0.40 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( -3.210 -1.853 13.734) 14.225 1.378 ( -4.103 -2.369 1.187) 4.884 2.080 ( -7.384 -4.263 -2.830) 8.984 2.138 ( -2.401 -1.386 9.539) 9.933 2.505 ( 0.491 0.283 3.291) 3.339 2.624 ( 0.543 0.314 -1.212) 1.365 2.932 ( -0.409 -0.236 1.580) 1.649 2.957 ( -3.546 -2.047 2.444) 4.768 3.109 ( -2.718 -1.569 -2.202) 3.834 3.520 ( 1.447 0.835 6.209) 6.430 3.736 ( -0.184 -0.106 -3.525) 3.531 4.292 ( 1.747 1.009 -4.419) 4.858 5.511 ( 2.955 1.706 3.477) 4.872 5.821 ( 1.908 1.101 -17.079) 17.220 6.212 ( -3.131 -1.807 -0.742) 3.690 6.712 ( 2.011 1.161 -4.334) 4.917 6.958 ( 0.110 0.064 -3.537) 3.539 7.402 ( 2.426 1.401 9.467) 9.873 7.526 ( -1.713 -0.989 -2.328) 3.055 8.088 ( -0.306 -0.177 1.746) 1.782 8.370 ( -0.553 -0.319 3.654) 3.709 16.720 ( 0.711 0.410 5.146) 5.212 16.863 ( -0.448 -0.259 0.050) 0.520 17.037 ( 0.048 0.028 -2.446) 2.447 17.248 ( 4.999 2.886 3.502) 6.751 17.442 ( 0.581 0.335 -0.835) 1.071 17.996 ( -3.252 -1.878 -11.257) 11.867======================= Grid point 226 (44/124) =======================q-point: (-0.30 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( -6.631 -3.828 14.514) 16.410 1.219 ( -9.348 -5.397 3.863) 11.465 1.832 ( -13.816 -7.977 0.244) 15.955 2.056 ( -4.938 -2.851 10.190) 11.677 2.531 ( 1.922 1.110 5.032) 5.500 2.627 ( -0.853 -0.492 -1.801) 2.053 2.891 ( -1.069 -0.617 0.970) 1.570 2.905 ( -3.220 -1.859 -0.659) 3.776 3.072 ( 0.844 0.487 -1.350) 1.665 3.571 ( 2.726 1.574 6.933) 7.615 3.716 ( -1.669 -0.963 -3.156) 3.698 4.305 ( -0.860 -0.496 -8.603) 8.660 5.611 ( 5.499 3.175 2.952) 7.003 5.890 ( 4.092 2.363 -13.592) 14.390 6.132 ( -3.608 -2.083 -0.518) 4.198 6.773 ( 3.095 1.787 -4.324) 5.610 6.951 ( -0.635 -0.366 -4.311) 4.373 7.471 ( -3.051 -1.761 -2.355) 4.237 7.484 ( 4.414 2.549 9.598) 10.868 8.079 ( -0.441 -0.255 1.969) 2.034 8.338 ( -2.265 -1.308 2.824) 3.849 16.753 ( 2.078 1.200 3.423) 4.180 16.855 ( -0.156 -0.090 0.133) 0.224 17.035 ( -0.279 -0.161 -2.390) 2.412 17.306 ( -0.415 -0.240 3.515) 3.547 17.494 ( 3.432 1.981 1.311) 4.174 17.939 ( -1.008 -0.582 -12.467) 12.522======================= Grid point 227 (45/124) =======================q-point: (-0.20 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.936 ( -9.394 -5.423 13.590) 17.388 0.972 ( -11.617 -6.707 7.211) 15.230 1.484 ( -15.360 -8.868 8.762) 19.783 1.911 ( -7.290 -4.209 10.854) 13.735 2.579 ( 1.111 0.641 3.368) 3.604 2.584 ( -2.302 -1.329 -1.495) 3.050 2.821 ( -1.587 -0.916 -0.407) 1.878 2.926 ( 3.589 2.072 -1.072) 4.281 3.142 ( 4.412 2.547 1.478) 5.305 3.613 ( -0.023 -0.014 4.457) 4.457 3.659 ( -3.187 -1.840 -2.809) 4.630 4.252 ( -3.566 -2.059 -12.148) 12.827 5.750 ( 6.317 3.647 2.455) 7.696 5.995 ( 3.257 1.880 -3.182) 4.927 6.069 ( -0.017 -0.010 -6.127) 6.127 6.844 ( 2.887 1.667 -4.334) 5.468 6.934 ( -0.806 -0.465 -4.618) 4.711 7.391 ( -3.746 -2.163 -2.338) 4.917 7.593 ( 4.902 2.830 9.154) 10.763 8.071 ( -0.277 -0.160 2.226) 2.249 8.265 ( -4.086 -2.359 1.458) 4.938 16.807 ( 2.403 1.387 1.799) 3.307 16.857 ( 0.306 0.177 0.176) 0.395 17.024 ( -0.611 -0.352 -2.213) 2.322 17.244 ( -4.795 -2.768 -0.095) 5.538 17.546 ( 0.719 0.415 0.975) 1.280 17.977 ( 4.272 2.467 -7.940) 9.348======================= Grid point 228 (46/124) =======================q-point: (-0.10 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.689 ( -11.159 -6.443 11.859) 17.512 0.714 ( -10.079 -5.819 11.156) 16.121 1.192 ( -8.903 -5.140 20.788) 23.191 1.753 ( -5.710 -3.297 11.398) 13.168 2.539 ( -1.567 -0.905 -1.481) 2.338 2.543 ( -2.883 -1.664 -1.480) 3.643 2.917 ( 9.009 5.201 3.371) 10.935 3.030 ( 4.986 2.879 -2.219) 6.170 3.246 ( 3.479 2.009 3.477) 5.313 3.537 ( -6.094 -3.518 -2.422) 7.442 3.576 ( -3.890 -2.246 -2.383) 5.084 4.156 ( -4.473 -2.583 -8.740) 10.152 5.882 ( 4.686 2.705 2.188) 5.837 5.976 ( -1.890 -1.091 2.483) 3.305 6.183 ( 6.243 3.604 -8.643) 11.255 6.898 ( 1.641 0.947 -4.354) 4.748 6.919 ( -0.427 -0.246 -4.599) 4.625 7.311 ( -2.871 -1.658 -2.319) 4.046 7.705 ( 4.807 2.775 7.491) 9.323 8.067 ( -0.036 -0.021 2.426) 2.427 8.153 ( -5.393 -3.114 0.834) 6.283 16.856 ( 1.729 0.998 0.631) 2.093 16.867 ( 0.505 0.292 0.120) 0.595 17.010 ( -0.562 -0.325 -1.942) 2.048 17.100 ( -6.886 -3.975 -2.681) 8.391 17.545 ( -0.356 -0.205 -0.290) 0.503 18.097 ( 5.014 2.895 -2.763) 6.415======================= Grid point 230 (47/124) =======================q-point: ( 0.10 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.826 ( 2.619 14.733 8.309) 17.116 0.888 ( 3.724 8.407 14.051) 16.792 1.432 ( 12.331 13.638 11.235) 21.547 1.873 ( 4.894 7.896 10.950) 14.360 2.534 ( -1.157 2.503 -1.843) 3.316 2.582 ( -0.607 -0.340 1.581) 1.727 2.854 ( 2.936 0.367 -0.224) 2.967 3.014 ( 2.900 -8.455 0.772) 8.972 3.215 ( 1.917 -5.500 2.613) 6.383 3.498 ( -7.796 2.199 0.634) 8.125 3.628 ( -0.431 8.130 -1.918) 8.365 4.234 ( 2.276 2.235 -11.203) 11.648 5.810 ( -1.725 -5.887 0.794) 6.185 5.987 ( -2.299 2.584 -0.241) 3.467 6.108 ( 1.250 -6.897 -7.015) 9.917 6.861 ( -1.521 -2.351 -4.436) 5.246 6.926 ( 0.132 0.363 -4.424) 4.441 7.370 ( 2.365 3.905 -2.342) 5.131 7.628 ( -2.339 -5.019 8.773) 10.374 8.073 ( 0.422 0.382 2.376) 2.443 8.215 ( 0.516 4.659 1.183) 4.834 16.822 ( -0.508 -2.638 1.383) 3.022 16.878 ( 0.945 -0.273 -0.082) 0.987 17.008 ( -0.724 -0.183 -1.383) 1.572 17.163 ( -1.837 6.518 -1.165) 6.872 17.544 ( -0.570 -0.280 0.298) 0.702 18.049 ( 1.555 -4.696 -6.396) 8.086======================= Grid point 231 (48/124) =======================q-point: ( 0.20 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.016 ( 3.819 6.050 14.785) 16.426 1.049 ( 4.873 14.740 4.552) 16.178 1.792 ( 14.034 8.930 3.510) 17.000 2.047 ( 5.363 7.854 10.135) 13.899 2.532 ( -1.455 -0.711 0.676) 1.754 2.568 ( 0.683 1.782 0.253) 1.925 2.958 ( 0.432 -6.273 2.639) 6.819 2.971 ( 5.999 2.034 -1.370) 6.481 3.180 ( -0.887 -3.413 2.134) 4.122 3.423 ( -2.261 1.707 2.067) 3.507 3.690 ( -0.967 6.709 -1.408) 6.924 4.250 ( -0.594 -1.045 -9.409) 9.485 5.712 ( -4.272 -3.207 0.566) 5.372 5.923 ( -4.988 -0.302 -10.763) 11.866 6.126 ( 6.077 -4.624 -0.339) 7.643 6.805 ( -2.376 -2.007 -4.410) 5.397 6.928 ( -0.060 -0.176 -3.970) 3.974 7.455 ( 2.681 3.508 -2.230) 4.946 7.534 ( -2.976 -4.330 9.003) 10.424 8.087 ( 0.179 1.307 2.294) 2.646 8.264 ( 1.036 2.635 2.233) 3.606 16.792 ( 0.165 -2.862 2.677) 3.923 16.886 ( 0.028 0.161 -0.201) 0.259 16.976 ( -1.131 -2.796 0.508) 3.059 17.176 ( -3.613 6.720 -0.741) 7.666 17.517 ( -1.452 -1.150 0.623) 1.954 18.057 ( 3.173 -3.074 -9.555) 10.526======================= Grid point 232 (49/124) =======================q-point: ( 0.30 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( 4.162 4.188 13.309) 14.560 1.272 ( 4.180 13.186 1.907) 13.964 2.040 ( 8.344 1.801 0.881) 8.582 2.189 ( 1.919 6.879 7.962) 10.696 2.499 ( -0.875 -1.380 1.123) 1.982 2.613 ( 1.415 2.002 -0.307) 2.471 2.909 ( 1.696 -5.763 4.152) 7.302 3.064 ( 1.524 1.696 0.984) 2.483 3.150 ( 0.390 -0.594 -0.949) 1.186 3.440 ( 1.359 1.973 3.911) 4.586 3.727 ( -1.196 4.362 -1.618) 4.804 4.221 ( -0.710 -1.311 -6.640) 6.806 5.608 ( -5.552 0.017 2.451) 6.069 5.845 ( -2.834 -1.265 -16.073) 16.370 6.183 ( 5.621 -5.172 0.135) 7.639 6.747 ( -2.536 -0.694 -4.394) 5.120 6.924 ( 0.291 -0.758 -3.275) 3.374 7.442 ( -2.511 -3.674 9.039) 10.075 7.526 ( 1.501 2.769 -2.387) 3.952 8.103 ( -0.430 2.172 2.112) 3.060 8.306 ( 1.767 1.005 3.103) 3.710 16.766 ( -0.280 -2.583 5.067) 5.694 16.882 ( -0.632 0.158 0.147) 0.668 16.932 ( 0.941 -4.461 0.426) 4.579 17.189 ( -3.633 8.862 -2.083) 9.801 17.482 ( -1.288 -0.862 0.015) 1.550 18.073 ( 2.183 -3.788 -9.574) 10.525======================= Grid point 233 (50/124) =======================q-point: ( 0.40 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.229 ( 2.911 1.477 12.722) 13.134 1.435 ( 0.525 10.490 0.312) 10.508 2.142 ( 3.412 -0.257 0.246) 3.431 2.230 ( -2.844 2.909 6.958) 8.060 2.478 ( 0.376 -1.776 0.883) 2.019 2.640 ( -0.294 1.772 0.110) 1.799 2.896 ( 2.352 -5.201 3.507) 6.700 3.070 ( -1.705 0.573 1.762) 2.518 3.159 ( 0.409 -0.224 -1.814) 1.873 3.488 ( 1.098 2.463 4.985) 5.668 3.741 ( -0.699 2.097 -2.161) 3.091 4.217 ( 1.283 -0.203 -4.482) 4.666 5.536 ( -4.039 2.673 3.534) 5.996 5.804 ( -0.786 -0.780 -18.088) 18.122 6.206 ( 3.620 -6.462 -0.344) 7.415 6.710 ( -1.748 0.928 -4.413) 4.836 6.927 ( 1.165 -1.004 -2.891) 3.275 7.380 ( -0.940 -2.413 9.015) 9.380 7.561 ( -0.135 1.822 -2.384) 3.004 8.113 ( -1.058 2.357 1.933) 3.227 8.342 ( 1.785 -0.191 3.641) 4.060 16.730 ( -0.931 -1.870 6.669) 6.988 16.873 ( -0.255 -0.490 0.133) 0.568 16.930 ( 3.681 -4.199 -0.365) 5.596 17.230 ( -2.871 10.668 -2.470) 11.320 17.456 ( -0.970 -0.438 -0.440) 1.152 18.052 ( 0.532 -4.994 -9.196) 10.478======================= Grid point 234 (51/124) =======================q-point: (-0.50 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( -0.620 -1.288 13.260) 13.337 1.482 ( -5.200 6.471 0.462) 8.314 2.127 ( -3.970 -4.612 -1.680) 6.313 2.197 ( -2.380 2.928 8.314) 9.130 2.480 ( 1.433 -0.772 1.839) 2.456 2.649 ( -0.941 2.057 -0.122) 2.266 2.878 ( 1.409 -4.265 2.813) 5.300 3.022 ( -3.148 -1.130 0.858) 3.453 3.145 ( -2.078 -0.105 -1.925) 2.835 3.517 ( -0.014 1.570 5.909) 6.114 3.749 ( -0.252 1.364 -2.144) 2.554 4.251 ( 2.603 -0.560 -4.444) 5.181 5.529 ( -1.023 4.863 3.267) 5.947 5.804 ( 1.092 0.546 -17.661) 17.704 6.180 ( 1.417 -7.254 -0.424) 7.403 6.708 ( 0.004 1.831 -4.351) 4.721 6.940 ( 1.342 -1.078 -3.385) 3.797 7.370 ( 1.704 -0.591 9.368) 9.540 7.558 ( -1.781 0.927 -2.387) 3.120 8.112 ( -1.494 1.892 1.900) 3.069 8.359 ( 0.873 -1.109 3.726) 3.984 16.710 ( 0.231 -0.627 6.020) 6.057 16.863 ( -0.103 -0.694 0.072) 0.705 16.962 ( 4.204 -3.705 -0.245) 5.609 17.299 ( -1.566 10.221 -0.818) 10.372 17.440 ( -0.318 -0.388 -0.737) 0.891 18.000 ( -0.636 -4.707 -9.976) 11.049======================= Grid point 235 (52/124) =======================q-point: (-0.40 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( -4.652 -2.994 14.025) 15.077 1.378 ( -11.117 1.166 2.651) 11.488 1.961 ( -8.719 -5.756 -1.009) 10.496 2.157 ( -6.059 2.361 8.736) 10.891 2.508 ( 1.719 0.724 3.322) 3.810 2.640 ( -1.303 -0.305 -0.756) 1.537 2.859 ( 0.385 -2.829 2.213) 3.612 2.975 ( -1.701 1.147 0.527) 2.119 3.094 ( -2.942 0.302 -2.858) 4.113 3.527 ( 0.949 -0.928 5.862) 6.010 3.754 ( -1.215 1.814 -1.071) 2.432 4.279 ( 1.856 -2.183 -6.972) 7.537 5.591 ( 1.912 5.477 1.670) 6.036 5.856 ( 3.101 2.786 -14.766) 15.343 6.118 ( -0.179 -6.867 -0.011) 6.869 6.745 ( 1.980 1.774 -4.263) 5.024 6.946 ( 0.505 -1.169 -4.140) 4.332 7.425 ( 4.250 0.946 9.638) 10.576 7.520 ( -3.264 0.197 -2.423) 4.069 8.101 ( -1.567 1.183 2.026) 2.821 8.346 ( -0.675 -1.898 3.264) 3.835 16.727 ( 1.709 0.384 4.473) 4.803 16.859 ( 0.039 0.028 0.126) 0.135 16.992 ( 3.003 -3.046 -0.466) 4.303 17.338 ( -2.588 2.815 1.418) 4.078 17.461 ( 2.408 1.910 0.033) 3.073 17.953 ( -0.738 -1.260 -11.639) 11.730======================= Grid point 236 (53/124) =======================q-point: (-0.30 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( -7.537 -3.035 14.573) 16.685 1.138 ( -14.234 -4.209 5.088) 15.691 1.716 ( -15.278 -1.481 2.870) 15.615 2.036 ( -9.100 0.243 10.419) 13.835 2.550 ( 2.302 0.474 3.777) 4.449 2.593 ( -1.972 -2.852 -1.313) 3.708 2.871 ( 1.153 2.374 0.421) 2.673 2.932 ( -4.111 1.596 -0.793) 4.481 3.111 ( 2.728 3.490 -0.193) 4.434 3.527 ( 2.375 -5.237 3.583) 6.776 3.732 ( -3.375 0.660 0.119) 3.441 4.269 ( -0.285 -2.122 -10.503) 10.719 5.693 ( 4.398 3.717 0.035) 5.758 5.966 ( 4.762 5.250 -10.166) 12.393 6.047 ( -0.896 -5.279 0.240) 5.360 6.804 ( 3.061 1.043 -4.275) 5.360 6.937 ( -0.206 -0.861 -4.477) 4.564 7.451 ( -4.361 -0.286 -2.284) 4.931 7.523 ( 5.334 1.357 9.318) 10.822 8.085 ( -1.191 0.560 2.215) 2.576 8.297 ( -2.504 -2.429 2.273) 4.164 16.770 ( 2.525 0.676 2.780) 3.816 16.866 ( 0.068 1.223 0.041) 1.226 17.005 ( 1.581 -2.189 -0.869) 2.837 17.279 ( -3.495 -3.318 0.586) 4.854 17.522 ( 2.286 0.457 1.436) 2.738 17.967 ( 1.068 3.699 -10.736) 11.405======================= Grid point 241 (54/124) =======================q-point: ( 0.20 0.20 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( 1.554 5.514 14.036) 15.160 1.357 ( 4.154 15.034 3.088) 15.900 1.930 ( 6.796 5.312 -0.125) 8.626 2.199 ( 4.803 6.114 9.252) 12.085 2.519 ( -1.366 -0.670 1.758) 2.325 2.609 ( 0.354 2.202 -0.333) 2.255 2.849 ( -0.006 -2.825 3.108) 4.200 3.017 ( 3.370 -0.294 -0.264) 3.393 3.119 ( 1.976 -0.544 -2.192) 3.001 3.479 ( -1.823 3.308 4.058) 5.544 3.775 ( 0.198 1.718 1.759) 2.467 4.233 ( -2.219 -0.532 -8.871) 9.160 5.665 ( -0.392 -1.635 -1.997) 2.611 5.904 ( -3.737 -2.328 -12.424) 13.181 6.033 ( 2.459 -3.225 1.748) 4.417 6.767 ( -0.736 -1.556 -4.184) 4.524 6.923 ( -1.048 -0.352 -4.220) 4.363 7.440 ( -2.062 -4.536 9.481) 10.711 7.526 ( 2.044 3.085 -2.495) 4.463 8.120 ( 1.323 1.819 2.365) 3.264 8.308 ( -0.672 1.643 2.880) 3.384 16.740 ( -0.040 -2.273 4.309) 4.872 16.870 ( 0.489 -1.365 -0.084) 1.452 16.937 ( -3.469 -1.424 1.140) 3.920 17.316 ( -1.119 6.926 -1.618) 7.200 17.490 ( -0.581 -1.440 0.459) 1.619 17.983 ( 2.470 -3.960 -10.340) 11.344======================= Grid point 242 (55/124) =======================q-point: ( 0.30 0.20 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.205 ( 1.801 2.492 13.216) 13.569 1.557 ( 1.283 14.548 1.220) 14.655 2.057 ( 5.247 -0.169 -0.945) 5.334 2.287 ( 0.356 2.331 8.851) 9.160 2.486 ( -2.227 0.500 0.904) 2.455 2.640 ( 1.609 -0.115 0.175) 1.623 2.829 ( 0.241 -1.442 3.760) 4.034 3.052 ( 2.561 -2.124 -0.625) 3.385 3.146 ( 0.668 0.184 -2.633) 2.723 3.516 ( 0.453 5.024 4.966) 7.078 3.774 ( -1.207 0.080 2.465) 2.745 4.205 ( -0.321 -0.214 -8.040) 8.049 5.643 ( -3.079 3.295 0.682) 4.561 5.824 ( -3.093 -0.826 -15.430) 15.758 6.045 ( 4.949 -8.033 0.797) 9.469 6.751 ( -1.047 1.099 -4.298) 4.558 6.900 ( -0.121 -1.652 -3.842) 4.183 7.369 ( -1.310 -3.401 9.456) 10.134 7.578 ( 0.780 2.182 -2.522) 3.425 8.158 ( -0.070 3.129 2.446) 3.972 8.312 ( 0.629 -0.471 3.266) 3.359 16.718 ( -0.139 -2.061 6.340) 6.668 16.860 ( 0.669 -1.866 -0.071) 1.983 16.881 ( -1.338 -1.099 0.740) 1.883 17.372 ( -1.407 8.096 -3.014) 8.752 17.477 ( -0.947 1.538 -0.872) 2.005 17.964 ( 1.726 -6.861 -8.880) 11.354======================= Grid point 243 (56/124) =======================q-point: ( 0.40 0.20 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.240 ( 0.721 -0.211 13.071) 13.093 1.664 ( -4.722 11.574 0.226) 12.502 2.099 ( 1.866 -4.929 -1.793) 5.567 2.277 ( -3.002 2.548 9.745) 10.510 2.468 ( -0.335 1.253 0.892) 1.574 2.654 ( 1.393 -2.212 0.522) 2.666 2.831 ( 0.561 0.264 3.680) 3.732 3.045 ( -1.756 -1.729 -1.048) 2.678 3.151 ( 1.066 -1.279 -3.224) 3.629 3.562 ( -1.612 4.494 6.270) 7.880 3.756 ( 0.306 -0.711 1.794) 1.954 4.212 ( 1.100 -0.313 -7.523) 7.610 5.631 ( -3.761 6.442 2.968) 8.028 5.794 ( 0.291 -0.011 -17.670) 17.673 6.038 ( 4.508 -9.568 0.468) 10.587 6.747 ( -1.641 2.517 -4.399) 5.327 6.895 ( 1.795 -2.161 -3.799) 4.725 7.336 ( 0.705 -1.708 9.569) 9.746 7.594 ( -0.844 1.295 -2.504) 2.943 8.172 ( -2.070 3.221 2.398) 4.518 8.321 ( 1.650 -1.785 3.485) 4.249 16.699 ( 0.050 -1.105 6.894) 6.982 16.855 ( 0.007 -1.149 0.089) 1.153 16.875 ( 2.307 -1.553 0.344) 2.802 17.418 ( -0.136 3.639 -1.600) 3.978 17.482 ( -4.047 6.971 -2.950) 8.583 17.921 ( 2.363 -7.626 -8.420) 11.604======================= Grid point 245 (57/124) =======================q-point: (-0.50 0.20 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.219 ( -2.228 -1.541 13.509) 13.778 1.600 ( -11.453 3.211 1.484) 11.987 2.028 ( -3.935 -3.098 -1.320) 5.179 2.263 ( -2.641 2.850 8.276) 9.142 2.495 ( 1.002 1.759 1.870) 2.756 2.645 ( 0.075 -2.358 0.255) 2.373 2.838 ( -0.164 -0.446 4.199) 4.226 2.997 ( -1.016 0.444 -2.133) 2.404 3.144 ( -1.480 -0.116 -2.722) 3.101 3.540 ( -3.010 0.160 5.763) 6.503 3.774 ( 0.913 0.891 2.026) 2.394 4.225 ( 1.430 -1.634 -7.844) 8.139 5.641 ( -1.571 4.517 -0.075) 4.783 5.834 ( 2.631 2.519 -14.812) 15.253 6.018 ( 3.155 -7.091 0.980) 7.823 6.747 ( -0.431 1.606 -4.219) 4.535 6.911 ( 1.849 -1.524 -4.192) 4.828 7.362 ( 3.310 -0.044 9.688) 10.238 7.575 ( -2.406 0.604 -2.517) 3.534 8.154 ( -2.704 1.778 2.387) 4.021 8.326 ( 0.776 -1.818 3.352) 3.891 16.705 ( 1.172 0.229 5.906) 6.025 16.851 ( 0.591 -0.327 0.215) 0.709 16.907 ( 3.096 -1.976 0.662) 3.732 17.425 ( -2.719 -0.837 -1.541) 3.236 17.468 ( -2.500 4.589 -1.363) 5.401 17.920 ( 3.132 -1.706 -9.644) 10.282======================= Grid point 253 (58/124) =======================q-point: ( 0.30 0.30 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.233 ( 0.127 0.506 13.128) 13.138 1.813 ( 4.618 10.001 0.282) 11.020 2.011 ( -1.619 -4.410 -1.225) 4.855 2.315 ( 1.166 1.262 9.841) 9.990 2.508 ( 0.515 1.280 0.883) 1.638 2.590 ( -1.819 -3.468 0.253) 3.924 2.852 ( 0.229 1.598 5.652) 5.878 3.041 ( 2.538 1.783 -3.625) 4.771 3.123 ( -1.969 -2.513 -3.526) 4.756 3.621 ( 2.497 4.968 5.727) 7.983 3.735 ( -1.794 -3.371 4.553) 5.943 4.206 ( -0.205 0.082 -9.548) 9.551 5.729 ( 2.964 4.906 -0.599) 5.763 5.811 ( -1.341 -0.852 -15.077) 15.160 5.893 ( -2.578 -6.066 1.873) 6.852 6.787 ( 1.472 2.245 -4.306) 5.075 6.858 ( -1.667 -2.398 -4.262) 5.167 7.319 ( -0.686 -1.330 9.800) 9.913 7.608 ( 0.494 0.807 -2.551) 2.721 8.219 ( 1.781 2.728 2.800) 4.296 8.288 ( -1.359 -1.807 3.198) 3.917 16.690 ( -0.236 -0.701 7.128) 7.166 16.842 ( 0.073 -0.056 0.212) 0.231 16.857 ( -0.984 -1.142 0.306) 1.538 17.429 ( -0.134 0.093 -0.728) 0.746 17.607 ( 3.809 8.193 -5.024) 10.338 17.815 ( -3.064 -7.280 -7.544) 10.922======================= Grid point 327 (59/124) =======================q-point: ( 0.00 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( 0.000 -0.000 13.375) 13.375 0.827 ( 0.000 -0.000 13.375) 13.375 1.558 ( 0.000 0.000 21.650) 21.650 1.915 ( 0.000 0.000 11.486) 11.486 2.464 ( 0.000 0.000 -3.259) 3.259 2.464 ( 0.000 -0.000 -3.259) 3.259 3.087 ( 0.000 0.000 -2.521) 2.521 3.087 ( 0.000 -0.000 -2.521) 2.521 3.216 ( 0.000 0.000 3.292) 3.292 3.445 ( 0.000 0.000 -2.655) 2.655 3.445 ( 0.000 0.000 -2.655) 2.655 4.019 ( 0.000 0.000 -3.928) 3.928 6.013 ( 0.000 0.000 4.653) 4.653 6.013 ( 0.000 -0.000 4.653) 4.653 6.103 ( 0.000 0.000 -7.874) 7.874 6.806 ( 0.000 -0.000 -6.648) 6.648 6.806 ( 0.000 0.000 -6.648) 6.648 7.225 ( 0.000 0.000 -2.633) 2.633 7.864 ( 0.000 0.000 3.836) 3.836 8.121 ( -0.000 0.000 2.707) 2.707 8.121 ( 0.000 0.000 2.707) 2.707 16.878 ( 0.000 -0.000 0.140) 0.140 16.878 ( 0.000 -0.000 0.140) 0.140 16.965 ( 0.000 -0.000 -1.980) 1.980 16.965 ( 0.000 -0.000 -1.980) 1.980 17.535 ( 0.000 0.000 -0.210) 0.210 18.124 ( 0.000 0.000 -1.880) 1.880======================= Grid point 328 (60/124) =======================q-point: ( 0.10 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.850 ( 3.847 2.221 12.325) 13.101 0.999 ( 10.790 6.229 12.276) 17.490 1.597 ( 3.895 2.249 18.456) 18.996 1.982 ( 5.430 3.135 11.298) 12.921 2.454 ( 0.146 0.085 -3.062) 3.066 2.524 ( 3.570 2.061 -3.280) 5.268 2.907 ( -6.105 -3.525 0.238) 7.053 3.156 ( 1.543 0.891 -1.109) 2.098 3.326 ( 4.180 2.413 1.894) 5.184 3.407 ( -0.095 -0.055 -3.906) 3.907 3.441 ( -2.603 -1.503 -1.842) 3.526 4.047 ( 2.300 1.328 -5.322) 5.948 5.935 ( -6.701 -3.869 -2.552) 8.148 5.981 ( -3.442 -1.987 4.991) 6.380 6.105 ( 1.689 0.975 -1.407) 2.405 6.781 ( -1.825 -1.053 -6.881) 7.196 6.817 ( 0.598 0.345 -6.375) 6.412 7.262 ( 2.922 1.687 -2.623) 4.274 7.827 ( -2.815 -1.625 4.749) 5.755 8.122 ( 0.009 0.005 2.648) 2.648 8.170 ( 3.581 2.067 2.208) 4.687 16.871 ( -0.322 -0.186 0.514) 0.634 16.879 ( -0.033 -0.019 0.199) 0.203 16.970 ( 0.329 0.190 -2.130) 2.164 17.019 ( 3.774 2.179 -2.368) 4.960 17.537 ( 0.162 0.093 -0.354) 0.401 18.065 ( -4.507 -2.602 -2.214) 5.655======================= Grid point 329 (61/124) =======================q-point: ( 0.20 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.983 ( 7.198 4.156 9.013) 12.260 1.220 ( 7.273 4.199 14.830) 17.043 1.760 ( 10.042 5.798 8.787) 14.549 2.130 ( 6.438 3.717 9.981) 12.446 2.482 ( 2.543 1.468 -1.936) 3.517 2.571 ( -0.142 -0.082 -1.435) 1.445 2.876 ( 3.378 1.950 -0.769) 3.976 3.154 ( -1.290 -0.745 2.106) 2.579 3.274 ( -6.279 -3.625 0.409) 7.262 3.443 ( 2.827 1.632 -6.454) 7.232 3.465 ( 3.299 1.905 2.619) 4.623 4.097 ( 1.638 0.946 -6.431) 6.704 5.755 ( -8.005 -4.621 -8.340) 12.450 5.871 ( -5.679 -3.279 5.528) 8.576 6.168 ( 3.241 1.871 1.502) 4.032 6.727 ( -2.758 -1.593 -7.004) 7.694 6.831 ( 0.632 0.365 -5.971) 6.015 7.344 ( 3.886 2.244 -2.651) 5.212 7.748 ( -3.910 -2.258 5.720) 7.288 8.122 ( -0.005 -0.003 2.489) 2.489 8.258 ( 3.802 2.195 2.507) 5.055 16.864 ( -0.199 -0.115 1.158) 1.181 16.879 ( 0.002 0.001 0.304) 0.304 16.977 ( 0.243 0.141 -2.442) 2.458 17.092 ( 1.842 1.063 -0.510) 2.187 17.536 ( -0.614 -0.354 -0.249) 0.751 17.961 ( -3.583 -2.069 -5.091) 6.560======================= Grid point 330 (62/124) =======================q-point: ( 0.30 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 7.581 4.377 5.475) 10.325 1.346 ( 4.477 2.585 15.181) 16.037 2.000 ( 9.385 5.418 2.075) 11.033 2.241 ( 3.102 1.791 6.229) 7.185 2.543 ( -1.630 -0.941 0.189) 1.892 2.573 ( 4.815 2.780 1.840) 5.856 2.993 ( 5.247 3.029 -1.228) 6.181 3.119 ( -1.420 -0.820 3.685) 4.034 3.142 ( -4.501 -2.599 -0.443) 5.216 3.515 ( 3.195 1.844 -7.195) 8.086 3.526 ( 1.960 1.132 4.385) 4.935 4.123 ( 0.871 0.503 -5.019) 5.119 5.593 ( -5.845 -3.375 -12.481) 14.189 5.739 ( -5.499 -3.175 6.078) 8.790 6.237 ( 2.500 1.443 1.700) 3.350 6.660 ( -2.925 -1.689 -6.972) 7.747 6.846 ( 0.648 0.374 -5.383) 5.435 7.427 ( 3.138 1.812 -2.697) 4.517 7.655 ( -4.002 -2.311 6.247) 7.771 8.122 ( 0.090 0.052 2.263) 2.266 8.339 ( 3.245 1.873 3.258) 4.966 16.868 ( 0.580 0.335 2.344) 2.437 16.879 ( 0.050 0.029 0.282) 0.288 16.981 ( 0.050 0.029 -2.664) 2.664 17.093 ( -1.478 -0.853 2.334) 2.891 17.503 ( -1.991 -1.149 -0.032) 2.299 17.919 ( -0.399 -0.231 -8.873) 8.885======================= Grid point 331 (63/124) =======================q-point: ( 0.40 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.315 ( 5.802 3.350 2.695) 7.221 1.442 ( 3.883 2.242 13.175) 13.917 2.151 ( 3.549 2.049 0.896) 4.194 2.287 ( 1.244 0.718 3.743) 4.009 2.513 ( -0.751 -0.433 0.501) 1.001 2.657 ( 1.817 1.049 4.715) 5.160 3.033 ( -2.438 -1.408 0.214) 2.823 3.099 ( -0.385 -0.222 3.788) 3.814 3.114 ( 1.874 1.082 -3.328) 3.970 3.562 ( 1.413 0.816 5.136) 5.389 3.582 ( 2.555 1.475 -6.669) 7.293 4.149 ( 1.478 0.854 -3.098) 3.537 5.492 ( -2.919 -1.686 -15.134) 15.505 5.632 ( -3.547 -2.048 6.484) 7.669 6.275 ( 0.731 0.422 1.515) 1.735 6.602 ( -1.939 -1.120 -6.879) 7.234 6.861 ( 0.651 0.376 -4.867) 4.924 7.482 ( 1.575 0.910 -2.695) 3.251 7.574 ( -2.774 -1.601 6.575) 7.314 8.125 ( 0.143 0.083 2.038) 2.045 8.404 ( 2.290 1.322 3.710) 4.556 16.879 ( -0.112 -0.065 0.138) 0.189 16.881 ( -0.063 -0.037 5.204) 5.205 16.981 ( 0.030 0.017 -2.708) 2.708 17.063 ( 0.217 0.125 1.396) 1.419 17.461 ( -1.440 -0.831 -0.447) 1.722 17.912 ( -0.804 -0.464 -9.872) 9.915======================= Grid point 332 (64/124) =======================q-point: (-0.50 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( 2.243 1.295 1.339) 2.916 1.511 ( 1.719 0.992 12.407) 12.565 2.166 ( -2.084 -1.203 1.028) 2.617 2.306 ( 0.449 0.259 3.688) 3.724 2.519 ( 1.260 0.728 1.103) 1.826 2.657 ( -1.310 -0.757 4.820) 5.052 2.968 ( -2.515 -1.452 -1.559) 3.296 3.082 ( -1.684 -0.972 3.359) 3.881 3.125 ( -1.325 -0.765 -2.490) 2.922 3.597 ( 1.661 0.959 5.486) 5.812 3.631 ( 1.609 0.929 -5.671) 5.968 4.185 ( 1.301 0.751 -3.163) 3.502 5.461 ( 0.266 0.154 -15.815) 15.818 5.584 ( -0.573 -0.331 6.599) 6.632 6.270 ( -1.088 -0.628 1.731) 2.139 6.579 ( 0.038 0.022 -6.775) 6.776 6.872 ( 0.231 0.133 -4.913) 4.920 7.498 ( -0.136 -0.078 -2.653) 2.658 7.538 ( -0.262 -0.151 6.872) 6.879 8.128 ( 0.023 0.014 1.918) 1.918 8.441 ( 0.830 0.479 3.690) 3.812 16.852 ( -1.872 -1.081 6.241) 6.605 16.874 ( -0.360 -0.208 0.046) 0.418 16.983 ( 0.127 0.073 -2.676) 2.680 17.139 ( 6.069 3.504 0.511) 7.026 17.436 ( -0.817 -0.472 -0.500) 1.068 17.869 ( -3.035 -1.752 -9.830) 10.436======================= Grid point 334 (65/124) =======================q-point: (-0.40 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.408 ( -2.529 -1.460 1.920) 3.495 1.507 ( -2.292 -1.324 13.363) 13.623 2.062 ( -6.743 -3.893 0.787) 7.826 2.303 ( -0.877 -0.506 5.649) 5.739 2.561 ( 2.237 1.292 2.616) 3.677 2.621 ( -1.522 -0.879 2.227) 2.837 2.939 ( -0.208 -0.120 -0.955) 0.985 3.011 ( -4.202 -2.426 2.865) 5.635 3.059 ( -3.697 -2.134 -3.045) 5.244 3.639 ( 2.051 1.184 5.648) 6.125 3.653 ( 0.294 0.169 -4.853) 4.865 4.191 ( -1.020 -0.589 -5.423) 5.549 5.507 ( 3.805 2.197 -14.567) 15.215 5.607 ( 2.570 1.484 6.356) 7.015 6.229 ( -2.416 -1.395 2.563) 3.788 6.604 ( 2.060 1.189 -6.675) 7.086 6.869 ( -0.575 -0.332 -5.507) 5.547 7.476 ( -1.718 -0.992 -2.618) 3.285 7.565 ( 2.522 1.456 6.981) 7.564 8.126 ( -0.168 -0.097 1.977) 1.987 8.439 ( -1.069 -0.617 3.230) 3.458 16.819 ( -0.794 -0.459 4.684) 4.773 16.865 ( -0.357 -0.206 0.137) 0.434 16.986 ( 0.062 0.036 -2.673) 2.674 17.312 ( 7.804 4.506 2.855) 9.453 17.423 ( 0.076 0.044 -1.201) 1.204 17.778 ( -4.486 -2.590 -10.213) 11.452======================= Grid point 335 (66/124) =======================q-point: (-0.30 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.299 ( -6.723 -3.881 4.271) 8.860 1.401 ( -6.978 -4.029 13.751) 15.938 1.877 ( -8.687 -5.016 3.989) 10.795 2.255 ( -3.630 -2.096 8.815) 9.760 2.585 ( -1.945 -1.123 -1.682) 2.805 2.613 ( 1.880 1.086 3.081) 3.769 2.885 ( -4.626 -2.671 -1.039) 5.441 2.922 ( -2.544 -1.469 2.026) 3.568 3.044 ( 3.150 1.818 -1.901) 4.104 3.641 ( -1.348 -0.778 -4.339) 4.610 3.687 ( 1.659 0.958 4.685) 5.062 4.133 ( -3.790 -2.188 -8.137) 9.239 5.634 ( 7.176 4.143 -12.033) 14.610 5.696 ( 4.988 2.880 5.822) 8.189 6.165 ( -2.985 -1.723 3.653) 5.022 6.666 ( 3.118 1.800 -6.597) 7.515 6.849 ( -1.078 -0.622 -6.144) 6.269 7.421 ( -3.050 -1.761 -2.604) 4.380 7.644 ( 4.101 2.368 6.692) 8.198 8.121 ( -0.212 -0.122 2.194) 2.208 8.390 ( -3.143 -1.814 2.457) 4.382 16.817 ( 0.575 0.332 2.937) 3.011 16.860 ( -0.065 -0.038 0.295) 0.304 16.984 ( -0.180 -0.104 -2.621) 2.629 17.345 ( -3.485 -2.012 0.359) 4.040 17.531 ( 4.995 2.884 2.323) 6.218 17.711 ( 1.300 0.751 -10.087) 10.198======================= Grid point 336 (67/124) =======================q-point: (-0.20 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.119 ( -8.455 -4.882 7.619) 12.385 1.187 ( -11.270 -6.507 12.065) 17.746 1.698 ( -6.391 -3.690 12.109) 14.180 2.132 ( -6.700 -3.868 10.948) 13.406 2.533 ( -2.245 -1.296 -3.648) 4.475 2.599 ( -3.807 -2.198 -1.129) 4.539 2.841 ( 2.530 1.461 2.118) 3.608 2.918 ( 1.959 1.131 0.299) 2.282 3.154 ( 5.826 3.364 -0.278) 6.733 3.593 ( -2.773 -1.601 -3.837) 4.998 3.667 ( -4.715 -2.722 0.769) 5.498 4.052 ( -2.318 -1.338 -7.731) 8.181 5.824 ( 8.905 5.142 -9.554) 14.036 5.825 ( 5.877 3.393 5.189) 8.542 6.099 ( -2.624 -1.515 4.586) 5.496 6.737 ( 2.894 1.671 -6.549) 7.352 6.824 ( -0.978 -0.565 -6.554) 6.650 7.341 ( -3.735 -2.157 -2.599) 5.036 7.741 ( 4.117 2.377 6.021) 7.671 8.118 ( -0.065 -0.037 2.456) 2.457 8.297 ( -4.827 -2.787 1.749) 5.842 16.840 ( 1.239 0.715 1.508) 2.079 16.862 ( 0.285 0.165 0.347) 0.478 16.978 ( -0.387 -0.224 -2.429) 2.470 17.214 ( -7.383 -4.263 -2.681) 8.937 17.548 ( -0.732 -0.423 -0.634) 1.057 17.870 ( 9.155 5.286 -3.077) 11.010======================= Grid point 337 (68/124) =======================q-point: (-0.10 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.930 ( -9.646 -5.569 12.402) 16.670 0.936 ( -6.923 -3.997 11.177) 13.741 1.591 ( -2.955 -1.706 19.124) 19.426 1.982 ( -5.455 -3.149 11.407) 13.030 2.490 ( -1.460 -0.843 -3.543) 3.923 2.498 ( -3.627 -2.094 -2.984) 5.142 2.969 ( 7.368 4.254 1.817) 8.700 2.992 ( 4.030 2.327 -1.531) 4.899 3.289 ( 4.788 2.764 1.061) 5.630 3.474 ( -10.048 -5.801 -3.266) 12.053 3.520 ( -3.431 -1.981 -3.159) 5.067 4.029 ( -0.455 -0.263 -4.979) 5.007 5.949 ( 4.518 2.608 4.721) 7.035 6.002 ( 4.531 2.616 -5.746) 7.771 6.060 ( 0.527 0.304 2.421) 2.496 6.790 ( 1.610 0.930 -6.536) 6.796 6.807 ( -0.404 -0.233 -6.726) 6.742 7.261 ( -2.883 -1.665 -2.614) 4.233 7.825 ( 3.018 1.742 4.864) 5.984 8.118 ( 0.089 0.052 2.645) 2.647 8.183 ( -4.610 -2.662 1.938) 5.665 16.868 ( 1.019 0.588 0.550) 1.299 16.871 ( 0.408 0.235 0.246) 0.531 16.969 ( -0.327 -0.189 -2.143) 2.176 17.045 ( -6.376 -3.681 -2.832) 7.888 17.537 ( -0.219 -0.126 -0.379) 0.455 18.053 ( 6.024 3.478 -1.828) 7.192======================= Grid point 339 (69/124) =======================q-point: ( 0.10 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.002 ( 0.640 11.569 9.479) 14.970 1.153 ( 7.338 8.570 12.609) 16.920 1.677 ( 5.293 5.577 13.026) 15.126 2.095 ( 4.332 7.589 11.050) 14.088 2.484 ( -1.070 2.322 -3.287) 4.164 2.575 ( 1.233 2.773 -2.021) 3.646 2.857 ( -0.208 -0.845 0.458) 0.984 3.037 ( 5.989 -7.625 1.361) 9.791 3.234 ( 1.291 -7.450 -0.510) 7.579 3.489 ( -5.956 3.651 -1.641) 7.176 3.588 ( -0.998 11.495 -1.989) 11.708 4.060 ( 2.381 -0.009 -6.613) 7.029 5.802 ( -6.039 -8.084 -3.619) 10.720 5.949 ( -2.884 -3.122 0.451) 4.274 6.088 ( 3.677 -0.978 3.295) 5.033 6.751 ( -1.774 -2.105 -6.751) 7.291 6.820 ( 0.618 0.226 -6.388) 6.422 7.320 ( 2.325 3.878 -2.629) 5.231 7.768 ( -2.003 -3.982 5.650) 7.197 8.123 ( 0.409 0.245 2.558) 2.602 8.248 ( 1.170 4.936 1.966) 5.441 16.848 ( -0.109 -1.544 1.236) 1.981 16.879 ( 0.693 -0.306 0.093) 0.763 16.972 ( -0.011 0.168 -2.077) 2.083 17.127 ( -0.044 7.504 -2.377) 7.871 17.541 ( -0.129 0.275 -0.476) 0.565 17.956 ( -1.517 -7.834 -3.240) 8.612======================= Grid point 340 (70/124) =======================q-point: ( 0.20 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.158 ( 2.893 12.426 6.465) 14.303 1.314 ( 3.760 5.155 15.084) 16.378 1.873 ( 9.886 4.845 4.344) 11.836 2.245 ( 3.182 7.626 9.165) 12.340 2.506 ( 1.648 0.480 -1.946) 2.595 2.583 ( -0.744 1.317 0.548) 1.609 2.936 ( 5.292 3.621 -1.619) 6.613 3.029 ( 2.091 -7.347 3.800) 8.532 3.182 ( 0.462 -6.214 -1.921) 6.520 3.451 ( -1.560 3.540 0.319) 3.882 3.664 ( -2.769 10.190 -1.150) 10.622 4.088 ( 1.898 -1.666 -6.596) 7.063 5.632 ( -4.771 -6.403 -8.847) 11.917 5.840 ( -6.823 -0.920 3.152) 7.572 6.152 ( 5.381 -2.808 2.732) 6.656 6.694 ( -2.524 -1.713 -6.823) 7.474 6.830 ( 0.684 -0.376 -5.946) 5.997 7.404 ( 2.709 3.537 -2.700) 5.209 7.684 ( -2.953 -3.962 6.221) 7.945 8.135 ( -0.007 1.322 2.414) 2.752 8.314 ( 1.888 3.029 2.741) 4.500 16.839 ( 0.909 -1.516 2.070) 2.722 16.883 ( 0.182 -0.258 -0.105) 0.333 16.969 ( -0.221 -0.719 -1.225) 1.438 17.169 ( -2.837 5.813 -0.157) 6.470 17.524 ( -1.686 -0.904 0.085) 1.915 17.885 ( 1.243 -5.083 -7.446) 9.101======================= Grid point 341 (71/124) =======================q-point: ( 0.30 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.327 ( 2.160 11.801 3.821) 12.590 1.411 ( 2.927 3.655 14.000) 14.762 2.060 ( 7.677 0.822 1.112) 7.801 2.336 ( -1.007 7.168 5.271) 8.954 2.508 ( -0.178 -1.871 0.421) 1.926 2.631 ( 2.927 2.190 2.911) 4.673 2.983 ( 1.053 -6.749 2.549) 7.291 3.051 ( 4.187 1.641 -1.942) 4.898 3.136 ( -0.442 -2.328 -0.498) 2.422 3.498 ( 2.516 3.110 1.391) 4.235 3.692 ( -4.299 7.824 -1.546) 9.060 4.104 ( 2.612 -2.222 -4.700) 5.818 5.518 ( -2.872 -3.396 -13.045) 13.782 5.717 ( -6.638 0.429 4.864) 8.241 6.205 ( 4.608 -4.282 2.285) 6.693 6.637 ( -2.630 -0.518 -6.811) 7.319 6.838 ( 1.127 -1.154 -5.440) 5.674 7.474 ( 1.619 2.703 -2.749) 4.182 7.597 ( -2.650 -3.340 6.577) 7.838 8.147 ( -0.746 2.352 2.246) 3.337 8.372 ( 2.377 1.160 3.437) 4.337 16.851 ( 1.854 -1.105 3.212) 3.870 16.882 ( 0.247 -0.648 -0.152) 0.710 16.945 ( -0.686 -2.420 0.655) 2.600 17.163 ( -4.113 6.590 -0.288) 7.774 17.479 ( -1.777 -1.188 -0.284) 2.156 17.879 ( 2.116 -3.667 -9.574) 10.469======================= Grid point 342 (72/124) =======================q-point: ( 0.40 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( 0.004 9.334 2.756) 9.733 1.487 ( 2.027 2.407 11.743) 12.157 2.146 ( 2.772 -1.603 0.930) 3.335 2.361 ( -3.197 5.321 4.064) 7.420 2.495 ( 0.905 -1.117 1.251) 1.906 2.673 ( 0.063 0.813 4.296) 4.372 2.935 ( 0.863 -6.126 -0.210) 6.191 3.100 ( 0.230 -0.729 1.428) 1.620 3.117 ( 0.320 -1.228 -2.298) 2.625 3.580 ( 2.504 3.852 3.448) 5.745 3.682 ( -3.686 4.791 -3.111) 6.798 4.135 ( 3.265 -2.240 -3.546) 5.315 5.465 ( -0.926 -0.814 -15.605) 15.654 5.635 ( -4.054 2.166 6.216) 7.731 6.221 ( 2.947 -5.477 2.162) 6.585 6.600 ( -1.735 0.978 -6.779) 7.066 6.847 ( 1.523 -1.742 -5.207) 5.698 7.510 ( -0.044 1.663 -2.710) 3.180 7.537 ( -0.909 -1.936 6.838) 7.165 8.154 ( -1.356 2.677 2.128) 3.679 8.415 ( 2.017 -0.280 3.680) 4.206 16.856 ( -0.319 -1.565 4.034) 4.339 16.881 ( -0.453 -0.442 2.430) 2.511 16.921 ( 2.594 -3.042 -0.623) 4.046 17.185 ( -1.776 8.844 -1.904) 9.220 17.446 ( -1.028 -0.673 -0.561) 1.351 17.862 ( 0.276 -4.402 -9.598) 10.563======================= Grid point 343 (73/124) =======================q-point: (-0.50 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( -4.616 6.186 2.267) 8.044 1.515 ( 0.164 0.130 12.028) 12.030 2.113 ( -3.579 -4.104 0.689) 5.489 2.348 ( -2.640 3.297 4.912) 6.478 2.519 ( 2.317 -0.106 2.486) 3.400 2.666 ( -1.910 1.316 2.908) 3.720 2.904 ( 1.484 -3.266 -0.740) 3.663 3.040 ( -3.064 -4.169 0.865) 5.245 3.107 ( -1.889 -0.345 -1.616) 2.510 3.630 ( -0.861 1.362 4.733) 4.999 3.689 ( -0.172 5.094 -3.482) 6.173 4.158 ( 2.192 -3.492 -4.668) 6.228 5.468 ( 1.565 0.346 -15.054) 15.139 5.629 ( -0.598 4.878 5.782) 7.589 6.200 ( 1.332 -5.994 2.642) 6.685 6.600 ( 0.076 1.913 -6.694) 6.962 6.852 ( 1.130 -1.945 -5.510) 5.952 7.506 ( -1.600 0.726 -2.529) 3.079 7.533 ( 1.672 -0.206 6.890) 7.093 8.153 ( -1.669 2.304 2.119) 3.548 8.431 ( 0.684 -1.394 3.471) 3.802 16.824 ( -0.925 -1.359 4.778) 5.053 16.868 ( -0.278 -0.417 0.734) 0.889 16.952 ( 2.766 -1.830 -0.706) 3.391 17.283 ( 2.629 8.852 -0.754) 9.264 17.426 ( -0.656 -0.651 -0.638) 1.123 17.801 ( -1.893 -4.582 -9.686) 10.881======================= Grid point 344 (74/124) =======================q-point: (-0.40 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.424 ( -8.124 1.397 4.739) 9.508 1.472 ( -5.027 -1.611 12.089) 13.191 1.966 ( -7.006 -4.716 1.603) 8.596 2.329 ( -3.896 2.886 6.975) 8.495 2.561 ( 2.048 -0.135 2.701) 3.393 2.630 ( -2.506 -0.725 0.214) 2.618 2.899 ( -1.095 -1.703 1.490) 2.513 2.975 ( 0.547 -0.763 -0.713) 1.179 3.046 ( -3.968 0.614 -1.819) 4.408 3.605 ( -0.698 -2.694 0.968) 2.946 3.745 ( -0.747 5.979 0.840) 6.083 4.132 ( -0.242 -4.956 -7.268) 8.800 5.527 ( 5.091 0.158 -11.283) 12.380 5.707 ( 2.271 7.443 3.175) 8.405 6.154 ( 0.064 -5.367 3.597) 6.462 6.638 ( 1.983 1.893 -6.589) 7.136 6.845 ( 0.222 -1.661 -6.024) 6.252 7.469 ( -3.199 0.073 -2.672) 4.169 7.588 ( 4.058 0.910 6.929) 8.081 8.144 ( -1.599 1.574 2.229) 3.163 8.408 ( -1.301 -2.243 2.925) 3.909 16.809 ( 0.168 -0.328 3.560) 3.579 16.864 ( -0.041 0.136 0.458) 0.480 16.972 ( 1.236 -1.044 -1.463) 2.181 17.366 ( -1.452 -1.151 1.235) 2.226 17.463 ( 5.337 4.023 0.205) 6.687 17.729 ( -1.871 -0.938 -10.546) 10.751======================= Grid point 345 (75/124) =======================q-point: (-0.30 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.246 ( -11.407 -3.259 5.806) 13.207 1.325 ( -8.427 -2.531 13.616) 16.211 1.808 ( -8.177 -0.515 6.068) 10.196 2.247 ( -7.961 0.655 10.203) 12.958 2.539 ( -1.728 -3.349 -3.080) 4.867 2.607 ( 0.500 -1.287 1.161) 1.804 2.877 ( -2.863 2.728 -0.014) 3.955 2.942 ( -1.610 2.661 1.976) 3.685 3.094 ( 5.024 3.568 -1.754) 6.407 3.556 ( -0.188 -5.607 -0.735) 5.658 3.746 ( -4.445 0.711 0.929) 4.596 4.073 ( -1.252 -2.131 -8.587) 8.935 5.645 ( 8.629 -0.507 -6.872) 11.042 5.839 ( 4.074 6.891 0.460) 8.019 6.104 ( -0.834 -2.777 4.552) 5.397 6.697 ( 2.986 1.018 -6.576) 7.293 6.830 ( -0.405 -0.811 -6.356) 6.420 7.401 ( -4.356 -0.327 -2.652) 5.110 7.679 ( 4.912 1.065 6.437) 8.167 8.131 ( -1.118 0.802 2.402) 2.768 8.343 ( -3.441 -2.539 2.270) 4.842 16.821 ( 1.098 0.286 2.259) 2.528 16.869 ( 0.051 0.867 0.254) 0.904 16.976 ( 0.267 -0.608 -1.911) 2.024 17.276 ( -4.844 -4.833 -1.027) 6.920 17.543 ( 1.233 -0.816 0.459) 1.548 17.787 ( 5.697 5.621 -6.911) 10.574======================= Grid point 350 (76/124) =======================q-point: ( 0.20 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( 1.790 6.188 11.939) 13.566 1.431 ( 2.401 12.014 6.322) 13.787 1.946 ( 5.851 3.033 1.613) 6.785 2.386 ( 4.097 4.409 8.711) 10.588 2.528 ( -2.685 2.922 -0.577) 4.010 2.605 ( 1.224 0.665 0.497) 1.479 2.913 ( 1.079 -2.754 2.794) 4.069 2.996 ( 2.322 -1.345 -1.834) 3.250 3.081 ( 2.859 -1.107 -1.441) 3.387 3.540 ( -1.286 4.835 1.623) 5.259 3.812 ( 0.105 3.798 1.596) 4.121 4.053 ( -1.059 -0.997 -8.432) 8.556 5.526 ( -2.561 -4.058 -11.139) 12.129 5.810 ( -1.830 -2.383 2.298) 3.783 6.092 ( 1.047 -2.438 4.225) 4.989 6.661 ( -0.817 -1.427 -6.571) 6.774 6.821 ( -0.643 -0.526 -6.158) 6.214 7.472 ( 1.997 3.114 -2.766) 4.620 7.600 ( -2.138 -4.192 6.778) 8.252 8.168 ( 1.412 1.889 2.457) 3.406 8.367 ( -0.281 2.064 2.958) 3.618 16.815 ( 0.819 -0.766 3.066) 3.265 16.870 ( 0.079 -0.827 0.127) 0.840 16.952 ( -1.589 -1.076 0.278) 1.940 17.294 ( -2.952 6.169 -0.631) 6.868 17.496 ( -1.710 -2.017 0.189) 2.651 17.782 ( 3.385 -4.648 -9.587) 11.179======================= Grid point 351 (77/124) =======================q-point: ( 0.30 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.470 ( 1.088 2.340 13.262) 13.511 1.593 ( 0.029 13.638 2.475) 13.860 2.054 ( 5.244 -1.112 0.647) 5.400 2.454 ( 1.220 1.157 5.739) 5.980 2.506 ( -4.382 4.246 1.994) 6.419 2.651 ( 3.139 -0.747 2.117) 3.859 2.879 ( -1.065 -2.196 0.404) 2.474 3.029 ( 4.746 -3.133 -1.519) 5.886 3.108 ( -0.066 -0.815 -0.620) 1.026 3.600 ( 1.415 6.231 3.015) 7.065 3.810 ( -4.540 3.672 0.529) 5.863 4.045 ( 2.791 -3.439 -7.004) 8.287 5.471 ( -0.984 -1.359 -14.600) 14.696 5.747 ( -4.810 2.587 4.688) 7.198 6.088 ( 3.660 -6.876 3.612) 8.586 6.643 ( -1.258 1.185 -6.634) 6.856 6.804 ( 0.452 -2.207 -5.963) 6.374 7.522 ( 0.392 0.950 -1.257) 1.624 7.534 ( -0.975 -1.792 5.475) 5.843 8.208 ( -0.274 3.502 2.501) 4.312 8.379 ( 0.993 -0.518 3.393) 3.573 16.833 ( 1.786 -0.593 4.311) 4.704 16.858 ( -0.002 -1.235 -0.076) 1.237 16.905 ( -1.817 -1.816 2.167) 3.361 17.315 ( -2.460 7.921 -2.552) 8.678 17.460 ( -1.126 -0.509 -0.910) 1.535 17.782 ( 2.343 -5.883 -9.236) 11.198======================= Grid point 352 (78/124) =======================q-point: ( 0.40 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( 0.807 0.044 12.836) 12.861 1.681 ( -4.865 11.465 1.468) 12.541 2.089 ( 1.535 -4.520 0.701) 4.825 2.451 ( -5.234 2.946 5.077) 7.865 2.492 ( 1.848 1.770 3.141) 4.052 2.675 ( 1.393 -2.450 2.783) 3.961 2.863 ( 0.210 1.413 -1.156) 1.837 3.047 ( -2.976 -4.528 0.986) 5.507 3.088 ( 3.251 -1.464 -2.460) 4.332 3.681 ( -0.736 4.911 5.680) 7.545 3.762 ( -2.990 3.528 -2.364) 5.193 4.063 ( 3.455 -4.678 -6.405) 8.652 5.457 ( 0.080 -0.083 -15.978) 15.978 5.717 ( -3.231 5.863 5.778) 8.843 6.078 ( 3.972 -8.248 3.586) 9.831 6.638 ( -1.612 2.623 -6.660) 7.337 6.799 ( 1.945 -2.884 -5.977) 6.915 7.501 ( 0.624 -1.342 6.796) 6.955 7.542 ( -0.750 1.202 -2.390) 2.778 8.221 ( -2.366 3.726 2.533) 5.089 8.391 ( 1.778 -2.082 3.443) 4.399 16.828 ( -0.912 -0.863 4.184) 4.369 16.866 ( -0.324 -1.038 2.210) 2.463 16.881 ( 2.888 -1.167 0.782) 3.211 17.368 ( -0.848 8.267 -3.328) 8.952 17.439 ( -1.689 0.537 -1.340) 2.222 17.748 ( 1.418 -6.568 -8.730) 11.016======================= Grid point 354 (79/124) =======================q-point: (-0.50 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( -1.682 -1.387 13.327) 13.504 1.636 ( -9.807 4.065 2.188) 10.839 2.021 ( -3.569 -3.177 0.722) 4.832 2.415 ( -2.216 2.876 5.214) 6.354 2.548 ( 0.879 3.119 4.398) 5.463 2.646 ( -1.183 -3.912 0.619) 4.133 2.910 ( 0.489 3.753 1.222) 3.977 2.941 ( -0.923 -4.275 -2.159) 4.877 3.105 ( -0.916 0.023 -1.023) 1.374 3.633 ( -4.463 -0.959 2.833) 5.372 3.810 ( 0.204 5.540 1.477) 5.737 4.060 ( 2.001 -5.264 -8.006) 9.788 5.472 ( 1.760 0.066 -14.177) 14.286 5.751 ( 0.139 5.630 4.073) 6.950 6.069 ( 3.167 -5.398 4.155) 7.512 6.641 ( -0.362 1.728 -6.552) 6.786 6.809 ( 1.822 -1.862 -6.179) 6.705 7.518 ( -0.716 0.365 -0.407) 0.901 7.533 ( 1.491 0.116 4.775) 5.003 8.203 ( -2.951 2.158 2.531) 4.446 8.392 ( 0.573 -2.065 3.229) 3.875 16.811 ( -0.517 0.193 3.964) 4.002 16.859 ( 0.424 -0.406 0.756) 0.957 16.922 ( 2.832 -1.133 1.201) 3.278 17.395 ( -3.278 -1.549 -1.260) 3.839 17.440 ( 1.729 4.024 -1.441) 4.611 17.726 ( 1.352 -1.187 -9.546) 9.714======================= Grid point 362 (80/124) =======================q-point: ( 0.30 0.30 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( -0.014 0.364 12.992) 12.997 1.832 ( 4.158 9.026 1.556) 10.058 2.008 ( -1.257 -3.612 0.817) 3.911 2.480 ( 2.676 3.267 3.437) 5.445 2.567 ( -1.358 -0.471 8.509) 8.630 2.585 ( -1.307 -3.481 -0.606) 3.768 2.937 ( -2.663 6.495 -1.716) 7.227 2.972 ( 6.600 -2.339 -0.208) 7.006 3.063 ( -3.365 -3.835 -1.184) 5.238 3.724 ( 2.601 5.664 4.151) 7.488 3.823 ( -0.866 -2.385 4.124) 4.842 3.991 ( -1.174 -1.442 -11.641) 11.789 5.457 ( -0.135 -0.227 -16.037) 16.039 5.815 ( 1.897 3.790 5.024) 6.573 5.957 ( -2.714 -5.496 4.661) 7.701 6.680 ( 1.407 2.256 -6.538) 7.058 6.753 ( -1.648 -2.579 -6.361) 7.059 7.487 ( -0.630 -1.163 7.073) 7.195 7.555 ( 0.468 0.781 -2.581) 2.737 8.276 ( 1.959 3.038 2.868) 4.615 8.352 ( -1.444 -1.979 3.227) 4.051 16.830 ( 1.171 0.292 5.332) 5.466 16.846 ( -0.607 0.120 0.523) 0.810 16.868 ( -1.370 -1.836 1.827) 2.930 17.414 ( -0.185 0.790 -0.815) 1.150 17.504 ( 2.384 5.449 -5.146) 7.865 17.659 ( -1.899 -5.666 -7.947) 9.943======================= Grid point 436 (81/124) =======================q-point: ( 0.00 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( 0.000 0.000 10.676) 10.676 1.067 ( 0.000 -0.000 10.676) 10.676 1.923 ( 0.000 0.000 15.159) 15.159 2.112 ( 0.000 0.000 8.183) 8.183 2.388 ( 0.000 0.000 -4.191) 4.191 2.388 ( 0.000 0.000 -4.191) 4.191 3.041 ( 0.000 0.000 -2.035) 2.035 3.041 ( 0.000 -0.000 -2.035) 2.035 3.274 ( 0.000 0.000 2.460) 2.460 3.399 ( 0.000 0.000 -1.957) 1.957 3.399 ( 0.000 0.000 -1.957) 1.957 3.938 ( 0.000 0.000 -4.019) 4.019 5.971 ( 0.000 0.000 -5.389) 5.389 6.128 ( 0.000 0.000 6.888) 6.888 6.128 ( 0.000 -0.000 6.888) 6.888 6.659 ( 0.000 -0.000 -8.170) 8.170 6.659 ( 0.000 -0.000 -8.170) 8.170 7.178 ( 0.000 0.000 -2.092) 2.092 7.925 ( 0.000 0.000 2.359) 2.359 8.168 ( 0.000 0.000 2.027) 2.027 8.168 ( 0.000 0.000 2.027) 2.027 16.882 ( 0.000 0.000 0.239) 0.239 16.882 ( 0.000 0.000 0.239) 0.239 16.929 ( 0.000 -0.000 -1.642) 1.642 16.929 ( 0.000 -0.000 -1.642) 1.642 17.532 ( 0.000 0.000 -0.122) 0.122 18.091 ( 0.000 0.000 -1.459) 1.459======================= Grid point 437 (82/124) =======================q-point: ( 0.10 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( 2.283 1.318 10.511) 10.836 1.218 ( 10.604 6.122 9.579) 15.546 1.914 ( -0.658 -0.380 13.254) 13.276 2.175 ( 4.854 2.803 7.925) 9.707 2.388 ( 0.889 0.513 -3.433) 3.583 2.444 ( 3.793 2.190 -4.476) 6.262 2.913 ( -4.981 -2.876 0.546) 5.778 3.112 ( 2.892 1.670 -3.279) 4.680 3.349 ( 0.645 0.372 -0.028) 0.745 3.356 ( -1.311 -0.757 -1.066) 1.852 3.408 ( 1.871 1.080 -0.817) 2.310 3.956 ( 1.505 0.869 -4.062) 4.418 5.855 ( -8.911 -5.145 -4.293) 11.149 6.100 ( -3.118 -1.800 6.998) 7.870 6.156 ( 2.792 1.612 5.428) 6.314 6.629 ( -2.012 -1.162 -8.380) 8.696 6.676 ( 0.884 0.511 -7.884) 7.950 7.214 ( 2.926 1.689 -2.080) 3.968 7.899 ( -2.117 -1.222 2.706) 3.647 8.168 ( -0.083 -0.048 1.953) 1.955 8.212 ( 3.456 1.996 1.906) 4.423 16.883 ( 0.072 0.042 0.606) 0.612 16.883 ( 0.025 0.015 0.205) 0.207 16.931 ( 0.116 0.067 -1.762) 1.767 16.974 ( 3.730 2.154 -2.030) 4.762 17.531 ( -0.037 -0.022 -0.233) 0.237 18.029 ( -5.002 -2.888 -1.420) 5.948======================= Grid point 438 (83/124) =======================q-point: ( 0.20 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.162 ( 4.615 2.664 8.706) 10.208 1.480 ( 10.429 6.021 11.173) 16.427 1.914 ( 1.567 0.905 6.547) 6.792 2.271 ( 2.260 1.305 3.373) 4.264 2.470 ( 6.885 3.975 1.584) 8.106 2.524 ( 2.395 1.383 -2.807) 3.940 2.869 ( 1.488 0.859 0.010) 1.718 3.164 ( 1.429 0.825 -2.088) 2.662 3.250 ( -6.203 -3.581 -2.443) 7.568 3.345 ( 0.559 0.323 -2.205) 2.297 3.518 ( 4.924 2.843 2.714) 6.301 3.998 ( 1.987 1.147 -3.978) 4.593 5.619 ( -10.726 -6.192 -5.289) 13.467 5.999 ( -5.235 -3.023 7.315) 9.490 6.230 ( 3.353 1.936 4.824) 6.186 6.573 ( -2.807 -1.620 -8.489) 9.086 6.698 ( 1.014 0.585 -7.570) 7.660 7.296 ( 3.839 2.217 -2.104) 4.907 7.834 ( -3.406 -1.967 3.200) 5.070 8.165 ( -0.146 -0.084 1.838) 1.845 8.305 ( 4.299 2.482 2.165) 5.416 16.884 ( 0.019 0.011 0.211) 0.212 16.885 ( 0.235 0.136 0.828) 0.871 16.933 ( 0.026 0.015 -1.980) 1.981 17.073 ( 4.116 2.376 -1.111) 4.881 17.528 ( -0.389 -0.225 -0.403) 0.604 17.888 ( -6.427 -3.711 -2.486) 7.826======================= Grid point 439 (84/124) =======================q-point: ( 0.30 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( 5.000 2.887 6.160) 8.442 1.635 ( 3.244 1.873 13.910) 14.406 2.019 ( 6.933 4.003 -0.627) 8.030 2.294 ( 0.421 0.243 -0.143) 0.507 2.546 ( -0.178 -0.103 0.340) 0.397 2.657 ( 7.970 4.601 5.754) 10.854 2.954 ( 4.770 2.754 -2.487) 6.043 3.108 ( -5.772 -3.333 -2.863) 7.254 3.174 ( -0.400 -0.231 0.969) 1.073 3.384 ( 2.582 1.491 -5.048) 5.863 3.608 ( 2.876 1.660 3.956) 5.165 4.046 ( 2.288 1.321 -3.012) 4.007 5.394 ( -8.478 -4.895 -7.679) 12.442 5.877 ( -5.056 -2.919 7.780) 9.727 6.298 ( 2.354 1.359 4.601) 5.344 6.506 ( -2.886 -1.666 -8.499) 9.129 6.723 ( 1.161 0.670 -7.104) 7.229 7.378 ( 3.102 1.791 -2.166) 4.186 7.751 ( -3.655 -2.110 3.611) 5.555 8.162 ( -0.074 -0.042 1.704) 1.706 8.399 ( 3.680 2.124 2.628) 4.996 16.883 ( -0.048 -0.028 0.125) 0.136 16.902 ( 1.449 0.837 1.110) 2.008 16.933 ( -0.020 -0.012 -2.084) 2.084 17.133 ( 0.621 0.359 1.732) 1.875 17.500 ( -2.156 -1.245 -0.159) 2.494 17.775 ( -2.843 -1.641 -5.663) 6.546======================= Grid point 440 (85/124) =======================q-point: ( 0.40 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.380 ( 3.895 2.249 3.666) 5.802 1.682 ( 1.715 0.990 10.866) 11.045 2.167 ( 4.830 2.789 0.370) 5.589 2.303 ( 0.421 0.243 -1.150) 1.249 2.533 ( -0.514 -0.297 1.670) 1.772 2.792 ( 3.213 1.855 7.863) 8.694 2.989 ( -4.343 -2.507 -4.330) 6.626 3.049 ( 2.616 1.511 -2.940) 4.215 3.160 ( -0.623 -0.360 1.900) 2.032 3.451 ( 3.036 1.753 -6.049) 6.992 3.658 ( 1.765 1.019 4.469) 4.912 4.098 ( 2.024 1.169 -2.112) 3.150 5.244 ( -4.379 -2.528 -9.850) 11.072 5.780 ( -3.253 -1.878 8.246) 9.061 6.334 ( 0.764 0.441 4.488) 4.573 6.449 ( -1.865 -1.077 -8.465) 8.734 6.748 ( 0.956 0.552 -6.532) 6.625 7.432 ( 1.596 0.921 -2.183) 2.857 7.678 ( -2.499 -1.443 3.947) 4.889 8.162 ( 0.013 0.008 1.577) 1.577 8.469 ( 2.356 1.360 2.794) 3.900 16.880 ( -0.223 -0.129 -0.023) 0.258 16.933 ( 0.068 0.039 -2.032) 2.034 16.954 ( 2.701 1.560 2.070) 3.744 17.105 ( -2.037 -1.176 2.847) 3.693 17.452 ( -1.577 -0.910 -0.512) 1.891 17.742 ( -0.973 -0.562 -7.166) 7.253======================= Grid point 441 (86/124) =======================q-point: (-0.50 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( 1.652 0.954 2.021) 2.779 1.722 ( 1.574 0.909 8.689) 8.877 2.205 ( -1.870 -1.080 2.558) 3.348 2.315 ( 0.578 0.333 -1.681) 1.809 2.546 ( 1.927 1.113 1.675) 2.785 2.804 ( -1.661 -0.959 9.010) 9.211 2.908 ( -2.282 -1.317 -4.086) 4.861 3.066 ( -1.257 -0.726 -3.102) 3.425 3.136 ( -1.925 -1.112 1.815) 2.870 3.514 ( 2.300 1.328 -5.868) 6.441 3.696 ( 1.556 0.898 4.219) 4.585 4.127 ( 0.217 0.125 -2.469) 2.482 5.198 ( 0.394 0.228 -10.704) 10.713 5.735 ( -0.551 -0.318 8.517) 8.541 6.336 ( -0.552 -0.319 4.808) 4.850 6.428 ( 0.137 0.079 -8.380) 8.381 6.760 ( -0.012 -0.007 -6.374) 6.374 7.450 ( -0.086 -0.050 -2.136) 2.138 7.646 ( -0.103 -0.059 4.171) 4.172 8.162 ( 0.000 0.000 1.510) 1.510 8.503 ( 0.541 0.312 2.560) 2.635 16.874 ( -0.310 -0.179 -0.016) 0.358 16.936 ( 0.129 0.075 -2.003) 2.008 16.957 ( -2.633 -1.520 4.331) 5.292 17.143 ( 6.171 3.563 -0.229) 7.130 17.429 ( -0.689 -0.398 -0.288) 0.846 17.703 ( -2.611 -1.507 -6.590) 7.247======================= Grid point 443 (87/124) =======================q-point: (-0.40 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.449 ( -1.470 -0.849 1.950) 2.585 1.737 ( -0.874 -0.505 9.638) 9.691 2.098 ( -6.530 -3.770 2.389) 7.910 2.328 ( 0.550 0.318 -1.887) 1.991 2.606 ( 2.747 1.586 1.803) 3.648 2.737 ( -3.895 -2.249 8.497) 9.614 2.899 ( 1.382 0.798 -2.845) 3.262 2.998 ( -4.159 -2.401 -2.653) 5.487 3.061 ( -4.386 -2.532 2.010) 5.448 3.551 ( 0.796 0.459 -5.473) 5.550 3.729 ( 1.309 0.756 3.243) 3.578 4.099 ( -2.725 -1.573 -3.570) 4.758 5.263 ( 5.235 3.022 -10.067) 11.742 5.755 ( 2.291 1.323 8.468) 8.872 6.311 ( -1.535 -0.886 5.656) 5.927 6.455 ( 2.165 1.250 -8.248) 8.618 6.746 ( -1.134 -0.655 -6.824) 6.948 7.429 ( -1.684 -0.972 -2.073) 2.842 7.674 ( 2.398 1.384 4.156) 4.994 8.162 ( -0.054 -0.031 1.559) 1.560 8.491 ( -1.589 -0.917 2.069) 2.765 16.868 ( -0.186 -0.107 0.183) 0.282 16.896 ( -2.148 -1.240 3.117) 3.984 16.938 ( 0.049 0.028 -2.047) 2.048 17.334 ( 9.375 5.413 -1.862) 10.985 17.408 ( -1.096 -0.633 0.559) 1.383 17.624 ( -3.896 -2.249 -4.862) 6.624======================= Grid point 444 (88/124) =======================q-point: (-0.30 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.379 ( -4.422 -2.553 3.579) 6.235 1.646 ( -7.679 -4.434 11.087) 14.197 1.964 ( -3.954 -2.283 3.986) 6.061 2.335 ( -0.125 -0.072 -0.874) 0.886 2.621 ( -6.430 -3.712 5.663) 9.338 2.641 ( -0.735 -0.424 -0.444) 0.958 2.877 ( -2.950 -1.703 0.319) 3.422 2.966 ( -3.061 -1.767 2.371) 4.256 2.997 ( 4.908 2.833 -2.330) 6.127 3.549 ( -0.887 -0.512 -4.970) 5.074 3.745 ( -0.677 -0.391 1.026) 1.290 4.012 ( -4.205 -2.428 -3.875) 6.212 5.431 ( 9.117 5.264 -8.484) 13.521 5.835 ( 4.497 2.596 8.108) 9.629 6.267 ( -2.241 -1.294 6.537) 7.031 6.519 ( 3.196 1.845 -8.123) 8.922 6.714 ( -1.559 -0.900 -7.476) 7.689 7.374 ( -3.040 -1.755 -2.043) 4.062 7.747 ( 3.699 2.136 3.854) 5.753 8.161 ( -0.015 -0.008 1.720) 1.720 8.430 ( -3.675 -2.122 1.561) 4.522 16.865 ( -0.565 -0.326 1.946) 2.053 16.866 ( 0.059 0.034 0.398) 0.404 16.937 ( -0.102 -0.059 -2.049) 2.052 17.315 ( -5.843 -3.374 -3.361) 7.538 17.552 ( -1.579 -0.912 -3.091) 3.589 17.592 ( 10.989 6.345 1.099) 12.737======================= Grid point 445 (89/124) =======================q-point: (-0.20 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( -5.662 -3.269 6.229) 9.030 1.409 ( -11.738 -6.777 10.414) 17.093 1.918 ( -0.643 -0.371 9.368) 9.398 2.301 ( -3.679 -2.124 4.565) 6.236 2.469 ( -5.233 -3.021 -1.045) 6.132 2.553 ( -5.841 -3.372 -3.176) 7.455 2.881 ( 3.037 1.754 1.394) 3.774 2.938 ( 0.490 0.283 1.759) 1.847 3.139 ( 6.868 3.966 -0.735) 7.965 3.513 ( -2.149 -1.241 -4.225) 4.900 3.651 ( -7.724 -4.459 -1.815) 9.102 3.951 ( -0.826 -0.477 -2.955) 3.105 5.662 ( 10.427 6.020 -6.741) 13.799 5.952 ( 5.362 3.096 7.576) 9.784 6.213 ( -2.332 -1.346 6.892) 7.399 6.592 ( 2.939 1.697 -8.049) 8.735 6.680 ( -1.260 -0.728 -7.929) 8.062 7.294 ( -3.744 -2.162 -2.049) 4.785 7.832 ( 3.497 2.019 3.363) 5.255 8.162 ( 0.111 0.064 1.906) 1.911 8.329 ( -4.962 -2.865 1.342) 5.885 16.865 ( 0.421 0.243 1.084) 1.188 16.870 ( 0.262 0.151 0.475) 0.563 16.934 ( -0.196 -0.113 -1.935) 1.949 17.151 ( -7.724 -4.460 -3.428) 9.556 17.533 ( -0.261 -0.151 -0.713) 0.774 17.840 ( 9.859 5.692 -0.488) 11.395======================= Grid point 446 (90/124) =======================q-point: (-0.10 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.138 ( -4.508 -2.603 8.953) 10.357 1.161 ( -8.674 -5.008 10.733) 14.681 1.917 ( 0.337 0.195 13.553) 13.558 2.178 ( -5.315 -3.069 8.144) 10.198 2.406 ( -1.200 -0.693 -4.615) 4.819 2.430 ( -4.027 -2.325 -3.709) 5.948 2.975 ( 2.458 1.419 -0.055) 2.839 2.983 ( 5.180 2.991 -0.369) 5.992 3.293 ( 6.049 3.492 -0.334) 6.993 3.432 ( -10.129 -5.848 -0.968) 11.736 3.457 ( -2.629 -1.518 -3.190) 4.404 3.945 ( -0.263 -0.152 -3.661) 3.673 5.876 ( 7.430 4.290 -5.479) 10.179 6.066 ( 4.215 2.433 7.093) 8.602 6.165 ( -1.864 -1.076 6.689) 7.026 6.646 ( 1.585 0.915 -8.046) 8.252 6.659 ( -0.501 -0.289 -8.179) 8.200 7.214 ( -2.908 -1.679 -2.074) 3.947 7.899 ( 2.185 1.262 2.755) 3.736 8.165 ( 0.171 0.099 2.020) 2.030 8.220 ( -4.030 -2.327 1.651) 4.938 16.877 ( 0.278 0.160 0.381) 0.498 16.878 ( 0.522 0.301 0.503) 0.785 16.930 ( -0.127 -0.073 -1.747) 1.753 16.993 ( -5.387 -3.110 -2.366) 6.655 17.531 ( 0.038 0.022 -0.235) 0.239 18.023 ( 5.751 3.321 -1.181) 6.745======================= Grid point 448 (91/124) =======================q-point: ( 0.10 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.183 ( 0.102 8.160 8.514) 11.793 1.375 ( 9.207 9.243 9.805) 16.320 1.910 ( -0.258 0.141 9.933) 9.937 2.281 ( 3.022 7.200 7.296) 10.687 2.409 ( 0.436 1.358 -4.013) 4.259 2.523 ( 2.684 5.475 -2.619) 6.636 2.871 ( -1.662 -1.120 0.864) 2.183 3.052 ( 6.763 -4.557 -0.287) 8.160 3.213 ( -0.651 -8.356 -0.802) 8.420 3.438 ( -4.281 3.922 -3.248) 6.652 3.562 ( 0.730 10.834 -0.496) 10.870 3.963 ( 1.810 -0.281 -3.587) 4.027 5.699 ( -7.575 -9.889 -5.107) 13.464 6.031 ( -0.324 -4.580 6.491) 7.951 6.185 ( 1.158 1.289 6.256) 6.491 6.602 ( -2.112 -1.860 -8.259) 8.725 6.679 ( 1.064 0.181 -7.835) 7.909 7.273 ( 2.280 3.870 -2.077) 4.949 7.853 ( -1.778 -3.259 3.149) 4.868 8.168 ( 0.314 0.153 1.926) 1.957 8.285 ( 1.762 4.769 1.689) 5.357 16.870 ( 0.242 -0.856 0.992) 1.332 16.881 ( 0.411 -0.273 0.180) 0.526 16.933 ( 0.126 0.180 -1.827) 1.840 17.078 ( 1.409 7.369 -2.453) 7.893 17.531 ( -0.064 0.019 -0.449) 0.454 17.913 ( -3.350 -8.495 -1.354) 9.231======================= Grid point 449 (92/124) =======================q-point: ( 0.20 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.290 ( 1.473 9.703 6.660) 11.861 1.591 ( 5.853 4.944 12.700) 14.832 1.942 ( 4.104 1.648 2.308) 4.989 2.354 ( -2.663 6.871 1.029) 7.440 2.487 ( 6.095 -0.672 0.187) 6.135 2.608 ( 2.744 4.530 2.773) 5.978 2.906 ( 3.739 2.682 -1.288) 4.779 3.097 ( -0.663 -7.559 1.716) 7.779 3.119 ( 3.428 -4.579 -2.968) 6.444 3.422 ( -2.164 4.990 -2.972) 6.198 3.660 ( -1.250 9.143 0.918) 9.274 3.995 ( 3.007 -1.517 -3.254) 4.683 5.471 ( -7.691 -8.059 -6.691) 12.994 5.949 ( -4.768 -2.059 7.078) 8.779 6.233 ( 3.870 -1.360 5.442) 6.815 6.543 ( -2.708 -1.424 -8.310) 8.856 6.697 ( 1.253 -0.508 -7.530) 7.650 7.355 ( 2.648 3.484 -2.141) 4.871 7.779 ( -2.758 -3.451 3.549) 5.667 8.177 ( -0.171 1.294 1.781) 2.208 8.364 ( 2.673 3.078 2.222) 4.643 16.872 ( 1.075 -0.891 1.257) 1.879 16.882 ( 0.034 -0.352 -0.003) 0.354 16.938 ( 0.173 0.482 -1.620) 1.699 17.162 ( -0.050 5.905 -0.571) 5.933 17.521 ( -1.299 -0.551 -0.303) 1.443 17.776 ( -2.198 -7.210 -3.757) 8.422======================= Grid point 450 (93/124) =======================q-point: ( 0.30 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( 0.543 10.156 4.455) 11.103 1.673 ( 1.170 1.982 12.267) 12.481 2.071 ( 7.456 1.125 -0.311) 7.547 2.369 ( -3.090 6.765 -0.931) 7.496 2.527 ( 0.704 -1.301 1.386) 2.027 2.735 ( 5.875 2.731 6.509) 9.184 2.975 ( -0.629 -6.244 -2.996) 6.954 3.007 ( 2.620 -0.503 -2.389) 3.581 3.148 ( 1.745 -1.287 1.494) 2.633 3.463 ( 0.425 5.612 -4.452) 7.177 3.699 ( -2.587 5.950 2.262) 6.871 4.040 ( 4.075 -1.985 -2.210) 5.043 5.294 ( -5.236 -4.703 -9.068) 11.479 5.848 ( -5.267 -0.026 7.801) 9.413 6.277 ( 3.682 -3.198 5.007) 6.990 6.486 ( -2.733 -0.271 -8.239) 8.685 6.714 ( 1.818 -1.524 -7.141) 7.525 7.424 ( 1.624 2.638 -2.203) 3.802 7.699 ( -2.506 -2.924 3.899) 5.481 8.186 ( -0.922 2.424 1.667) 3.083 8.433 ( 2.801 1.131 2.656) 4.022 16.876 ( 0.075 -0.878 -0.246) 0.915 16.890 ( 1.921 -1.051 0.789) 2.328 16.951 ( 0.578 1.132 0.015) 1.271 17.179 ( -3.620 4.070 1.606) 5.679 17.472 ( -2.268 -1.513 -0.329) 2.746 17.717 ( 1.147 -4.094 -6.718) 7.950======================= Grid point 451 (94/124) =======================q-point: ( 0.40 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.500 ( -1.560 9.312 2.584) 9.789 1.707 ( 1.231 1.210 9.502) 9.657 2.172 ( 3.583 -1.419 1.429) 4.110 2.380 ( -3.404 6.205 -0.965) 7.143 2.525 ( 0.906 -0.321 1.760) 2.005 2.811 ( 0.752 0.274 8.530) 8.568 2.889 ( -0.187 -6.291 -3.826) 7.365 3.050 ( 1.767 -1.448 -3.468) 4.153 3.149 ( -0.527 -0.813 2.175) 2.381 3.529 ( 0.358 5.496 -6.331) 8.392 3.709 ( -1.088 3.328 3.844) 5.199 4.083 ( 3.205 -2.731 -1.894) 4.618 5.203 ( -1.641 -1.428 -10.638) 10.858 5.780 ( -3.500 1.957 8.292) 9.210 6.294 ( 2.572 -4.258 5.022) 7.068 6.450 ( -1.781 1.131 -8.185) 8.452 6.727 ( 1.958 -2.457 -6.853) 7.539 7.460 ( 0.044 1.654 -2.193) 2.747 7.645 ( -0.828 -1.656 4.166) 4.559 8.192 ( -1.528 2.897 1.622) 3.654 8.479 ( 2.001 -0.462 2.666) 3.365 16.867 ( 0.116 -1.118 -0.160) 1.135 16.907 ( 1.420 -1.706 -0.715) 2.332 16.974 ( 0.312 0.090 3.937) 3.950 17.161 ( -2.031 6.047 -0.445) 6.395 17.436 ( -0.824 -0.726 -0.501) 1.207 17.696 ( 0.355 -3.859 -6.911) 7.923======================= Grid point 452 (95/124) =======================q-point: (-0.50 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.533 ( -4.342 7.193 1.726) 8.577 1.733 ( 0.739 0.025 9.000) 9.031 2.145 ( -3.398 -4.367 2.262) 5.978 2.374 ( -2.915 4.578 -0.962) 5.512 2.564 ( 2.958 0.781 1.811) 3.555 2.786 ( -2.891 -0.687 8.237) 8.757 2.856 ( 2.042 -2.924 -3.352) 4.894 3.019 ( -2.169 -3.877 -2.351) 5.026 3.116 ( -2.590 -0.526 1.748) 3.168 3.569 ( -1.050 3.184 -6.388) 7.214 3.737 ( 0.473 3.383 3.804) 5.113 4.083 ( 0.807 -4.473 -2.681) 5.277 5.210 ( 2.763 0.835 -10.677) 11.060 5.772 ( -0.859 3.944 8.297) 9.227 6.283 ( 1.473 -4.653 5.657) 7.471 6.451 ( 0.108 2.048 -8.200) 8.452 6.728 ( 1.142 -2.787 -6.995) 7.616 7.458 ( -1.602 0.733 -2.133) 2.767 7.644 ( 1.687 -0.139 4.258) 4.582 8.191 ( -1.791 2.625 1.646) 3.578 8.489 ( 0.340 -1.641 2.333) 2.873 16.859 ( 0.205 -1.103 0.222) 1.144 16.902 ( -0.020 -1.776 0.566) 1.864 16.956 ( -1.494 0.313 1.913) 2.447 17.265 ( 5.400 7.590 -1.436) 9.425 17.417 ( -0.833 -0.866 -0.166) 1.213 17.643 ( -1.741 -4.208 -5.936) 7.482======================= Grid point 453 (96/124) =======================q-point: (-0.40 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( -7.294 3.562 2.623) 8.531 1.710 ( -3.265 -2.055 10.750) 11.421 2.010 ( -5.197 -4.356 2.273) 7.152 2.377 ( -2.021 4.193 -1.177) 4.801 2.617 ( 1.997 -0.405 0.914) 2.233 2.686 ( -5.951 -4.012 6.504) 9.686 2.902 ( 2.425 0.790 -1.604) 3.013 2.945 ( -0.193 -1.680 -1.062) 1.996 3.045 ( -5.294 0.761 1.524) 5.561 3.557 ( -1.616 -0.582 -4.793) 5.092 3.781 ( -0.636 4.425 1.715) 4.788 4.022 ( -1.594 -5.880 -3.582) 7.067 5.312 ( 7.554 1.612 -9.285) 12.078 5.827 ( 1.680 5.391 7.732) 9.574 6.255 ( 0.404 -4.254 6.454) 7.740 6.491 ( 2.020 2.003 -8.134) 8.617 6.713 ( 0.034 -2.215 -7.422) 7.745 7.421 ( -3.128 -0.008 -2.092) 3.763 7.696 ( 3.722 0.822 4.078) 5.582 8.184 ( -1.614 1.862 1.732) 3.011 8.457 ( -1.845 -2.348 1.896) 3.537 16.854 ( 0.251 -0.688 0.977) 1.221 16.882 ( -0.643 -0.370 1.317) 1.512 16.943 ( -0.579 0.325 -1.170) 1.346 17.365 ( -3.405 -2.623 -2.095) 4.781 17.471 ( 9.461 6.062 0.433) 11.245 17.572 ( -1.949 -2.059 -4.434) 5.263======================= Grid point 454 (97/124) =======================q-point: (-0.30 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( -8.687 -1.531 5.103) 10.190 1.568 ( -9.916 -1.824 10.951) 14.885 1.927 ( -1.654 -0.993 5.269) 5.611 2.377 ( -3.496 4.057 1.000) 5.448 2.503 ( -5.805 -7.741 0.774) 9.707 2.618 ( -2.816 -0.972 0.951) 3.127 2.878 ( -2.663 1.062 0.241) 2.877 2.995 ( -2.250 4.593 2.607) 5.741 3.049 ( 7.401 2.601 -1.973) 8.089 3.508 ( -1.499 -3.623 -3.817) 5.471 3.748 ( -6.510 -1.313 -0.810) 6.691 3.958 ( -0.279 -1.134 -3.146) 3.356 5.492 ( 11.440 0.767 -7.097) 13.485 5.927 ( 3.446 5.166 6.852) 9.247 6.217 ( -0.649 -2.614 6.820) 7.332 6.551 ( 2.974 0.933 -8.104) 8.683 6.691 ( -0.621 -0.846 -7.753) 7.823 7.353 ( -4.298 -0.399 -2.079) 4.791 7.777 ( 4.374 0.853 3.667) 5.772 8.174 ( -1.028 0.932 1.844) 2.307 8.382 ( -3.972 -2.270 1.617) 4.852 16.856 ( 0.438 0.125 1.336) 1.411 16.876 ( -0.116 0.396 0.512) 0.657 16.938 ( -0.343 0.056 -1.805) 1.838 17.237 ( -6.757 -4.209 -2.747) 8.422 17.536 ( -0.314 -0.717 -0.959) 1.238 17.709 ( 10.475 4.903 -1.390) 11.649======================= Grid point 459 (98/124) =======================q-point: ( 0.20 0.20 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( 2.700 10.945 3.990) 11.958 1.677 ( 1.390 3.664 11.917) 12.545 1.977 ( 3.694 2.171 0.999) 4.400 2.469 ( 4.215 -0.639 -0.453) 4.287 2.521 ( -4.285 8.442 0.074) 9.468 2.666 ( 3.696 1.580 5.539) 6.844 2.937 ( -1.890 -4.987 -1.226) 5.472 2.949 ( 2.713 -1.499 -1.723) 3.546 3.086 ( 4.257 1.021 2.062) 4.839 3.521 ( -0.472 4.790 -3.724) 6.086 3.826 ( -1.698 6.603 0.067) 6.818 3.944 ( 1.584 -3.028 -2.501) 4.235 5.322 ( -4.407 -6.500 -8.713) 11.730 5.909 ( -0.558 -2.064 6.947) 7.268 6.199 ( -0.024 -1.611 6.539) 6.735 6.515 ( -0.907 -1.299 -8.107) 8.260 6.684 ( -0.401 -0.678 -7.679) 7.719 7.423 ( 1.900 3.078 -2.170) 4.218 7.705 ( -2.037 -3.720 3.985) 5.820 8.211 ( 1.383 1.976 1.818) 3.021 8.418 ( 0.301 2.168 2.160) 3.075 16.855 ( 0.543 -0.734 0.953) 1.320 16.876 ( -0.211 -0.164 0.560) 0.620 16.949 ( 0.627 0.590 -0.398) 0.949 17.285 ( -2.414 6.032 -0.489) 6.515 17.500 ( -2.966 -2.094 0.287) 3.641 17.627 ( 2.619 -6.637 -5.867) 9.238======================= Grid point 460 (99/124) =======================q-point: ( 0.30 0.20 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( -0.817 12.556 2.880) 12.908 1.708 ( 0.149 1.345 10.297) 10.386 2.073 ( 5.534 -0.713 1.016) 5.672 2.502 ( 0.427 -0.056 1.510) 1.570 2.527 ( -3.702 6.657 -0.779) 7.656 2.759 ( 4.910 -0.394 6.600) 8.235 2.843 ( -1.756 -4.133 -2.730) 5.255 2.988 ( 2.780 -2.153 -2.111) 4.101 3.137 ( 0.984 -0.353 2.780) 2.970 3.582 ( 0.865 5.972 -5.649) 8.266 3.807 ( -5.427 4.474 0.869) 7.087 3.973 ( 4.987 -4.439 -0.947) 6.743 5.218 ( -2.300 -2.780 -10.514) 11.116 5.874 ( -3.416 2.527 7.721) 8.813 6.186 ( 2.644 -5.550 6.257) 8.772 6.496 ( -1.389 1.294 -8.114) 8.333 6.670 ( 0.851 -2.722 -7.627) 8.143 7.472 ( 0.798 2.050 -2.223) 3.127 7.643 ( -1.327 -2.544 4.251) 5.129 8.251 ( -0.410 3.804 1.816) 4.235 8.438 ( 1.301 -0.678 2.499) 2.898 16.854 ( 0.205 -0.938 -0.126) 0.968 16.873 ( 0.577 -0.807 0.512) 1.116 16.967 ( 0.616 0.439 2.983) 3.078 17.282 ( -3.990 5.931 -0.643) 7.177 17.443 ( -1.096 -1.416 -0.815) 1.967 17.621 ( 2.518 -5.257 -6.747) 8.916======================= Grid point 461 (100/124) =======================q-point: ( 0.40 0.20 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.713 ( -3.765 8.910 3.629) 10.331 1.725 ( -0.881 2.639 7.580) 8.075 2.118 ( 1.748 -4.367 1.847) 5.053 2.486 ( -3.697 2.655 1.039) 4.669 2.541 ( 0.758 2.557 0.559) 2.725 2.790 ( 1.550 -2.617 1.249) 3.288 2.816 ( -0.716 0.782 3.606) 3.759 2.993 ( 0.666 -4.148 -4.015) 5.811 3.130 ( -0.126 -0.865 3.636) 3.739 3.639 ( -1.777 4.702 -8.934) 10.251 3.779 ( -1.321 3.871 3.993) 5.716 3.996 ( 3.073 -5.732 -1.049) 6.587 5.186 ( 0.381 -0.398 -11.246) 11.259 5.854 ( -3.126 5.230 8.022) 10.074 6.178 ( 3.603 -6.856 6.446) 10.077 6.490 ( -1.631 2.744 -8.148) 8.751 6.664 ( 2.180 -3.544 -7.643) 8.702 7.489 ( -0.699 1.107 -2.187) 2.549 7.617 ( 0.577 -1.070 4.370) 4.536 8.266 ( -2.531 4.121 1.884) 5.190 8.450 ( 1.734 -2.344 2.434) 3.798 16.847 ( 0.017 -0.648 0.037) 0.649 16.876 ( 0.881 -1.361 -0.120) 1.625 16.972 ( -0.253 -0.098 4.878) 4.885 17.305 ( -0.607 7.640 -2.846) 8.175 17.422 ( -0.706 -0.717 -0.530) 1.138 17.598 ( 1.183 -5.660 -6.224) 8.495======================= Grid point 463 (101/124) =======================q-point: (-0.50 0.20 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( -9.014 4.965 2.245) 10.533 1.724 ( -0.465 -0.830 9.757) 9.803 2.049 ( -3.525 -3.742 1.835) 5.459 2.461 ( -2.204 3.370 0.828) 4.111 2.591 ( 1.350 1.550 -0.242) 2.069 2.740 ( -4.403 -3.570 7.281) 9.227 2.839 ( 3.227 0.626 -4.840) 5.851 2.952 ( -0.675 -1.204 0.682) 1.540 3.118 ( -1.748 0.668 2.137) 2.840 3.605 ( -4.061 0.172 -5.849) 7.122 3.838 ( 0.715 6.455 1.592) 6.687 3.959 ( 0.547 -7.533 -1.979) 7.807 5.222 ( 3.852 0.246 -10.527) 11.212 5.871 ( -0.821 4.631 7.525) 8.874 6.178 ( 3.091 -4.479 6.818) 8.724 6.495 ( -0.340 1.827 -8.111) 8.322 6.672 ( 1.926 -2.221 -7.729) 8.269 7.471 ( -2.235 0.439 -2.177) 3.150 7.642 ( 2.808 -0.036 4.302) 5.137 8.248 ( -3.138 2.384 1.903) 4.377 8.447 ( 0.337 -2.082 2.225) 3.066 16.845 ( 0.245 -0.047 0.488) 0.548 16.876 ( 0.439 -0.889 0.407) 1.072 16.961 ( -0.879 0.247 2.316) 2.489 17.383 ( -1.969 -3.125 -0.152) 3.696 17.407 ( 4.035 5.354 -1.973) 6.988 17.568 ( 0.523 -1.604 -5.948) 6.183======================= Grid point 471 (102/124) =======================q-point: ( 0.30 0.30 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( -0.118 0.143 9.610) 9.612 1.868 ( 4.136 8.483 1.915) 9.630 2.036 ( -1.235 -3.136 1.750) 3.797 2.511 ( 1.435 1.655 1.389) 2.594 2.572 ( -1.430 -2.203 -0.568) 2.688 2.770 ( 0.467 1.379 9.746) 9.854 2.842 ( 1.076 2.945 -5.342) 6.195 2.933 ( -0.476 -2.934 -3.187) 4.358 3.122 ( -0.370 -0.871 4.654) 4.749 3.687 ( 2.070 3.977 -9.973) 10.935 3.860 ( -1.878 -0.658 0.800) 2.145 3.889 ( 0.267 -1.786 2.477) 3.065 5.183 ( -0.536 -0.860 -11.466) 11.511 5.942 ( 2.150 3.810 7.631) 8.797 6.075 ( -2.686 -4.956 7.223) 9.162 6.535 ( 1.403 2.322 -8.115) 8.556 6.612 ( -1.705 -2.796 -7.982) 8.628 7.500 ( 0.435 0.721 -2.162) 2.320 7.606 ( -0.556 -0.981 4.408) 4.550 8.326 ( 2.054 3.313 2.086) 4.421 8.408 ( -1.442 -2.147 2.314) 3.470 16.845 ( 0.201 -0.001 0.025) 0.202 16.858 ( -0.504 -0.634 0.036) 0.811 16.972 ( 0.126 0.103 5.276) 5.278 17.393 ( -1.116 3.923 -1.530) 4.356 17.421 ( 2.083 0.034 -2.812) 3.499 17.521 ( -1.273 -4.249 -5.803) 7.304======================= Grid point 545 (103/124) =======================q-point: ( 0.00 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 0.000 -0.000 4.422) 4.422 1.222 ( 0.000 -0.000 4.422) 4.422 2.132 ( 0.000 0.000 5.634) 5.634 2.223 ( 0.000 0.000 2.950) 2.950 2.319 ( 0.000 0.000 -2.222) 2.222 2.319 ( 0.000 -0.000 -2.222) 2.222 3.013 ( 0.000 0.000 -0.759) 0.759 3.013 ( 0.000 -0.000 -0.759) 0.759 3.308 ( 0.000 0.000 0.909) 0.909 3.372 ( 0.000 0.000 -0.715) 0.715 3.372 ( 0.000 0.000 -0.715) 0.715 3.877 ( 0.000 -0.000 -1.844) 1.844 5.899 ( 0.000 0.000 -1.894) 1.894 6.271 ( 0.000 0.000 6.824) 6.824 6.271 ( 0.000 0.000 6.824) 6.824 6.499 ( 0.000 0.000 -7.250) 7.250 6.499 ( -0.000 -0.000 -7.250) 7.250 7.148 ( 0.000 0.000 -0.799) 0.799 7.956 ( 0.000 0.000 0.779) 0.779 8.196 ( 0.000 0.000 0.745) 0.745 8.196 ( 0.000 -0.000 0.745) 0.745 16.888 ( 0.000 0.000 0.493) 0.493 16.888 ( 0.000 0.000 0.493) 0.493 16.903 ( -0.000 0.000 -1.015) 1.015 16.903 ( 0.000 0.000 -1.015) 1.015 17.530 ( 0.000 0.000 -0.036) 0.036 18.070 ( 0.000 0.000 -0.550) 0.550======================= Grid point 546 (104/124) =======================q-point: ( 0.10 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.239 ( 1.926 1.112 5.180) 5.637 1.350 ( 9.843 5.683 3.161) 11.798 2.096 ( -2.960 -1.709 4.937) 6.005 2.274 ( 2.205 1.273 1.876) 3.162 2.341 ( 3.974 2.295 -0.765) 4.653 2.372 ( 4.160 2.402 -2.190) 5.279 2.931 ( -4.010 -2.315 1.314) 4.813 3.043 ( 1.439 0.831 -3.347) 3.737 3.323 ( -4.013 -2.317 -1.842) 4.987 3.360 ( -0.154 -0.089 1.280) 1.292 3.414 ( 6.481 3.742 0.707) 7.517 3.895 ( 1.486 0.858 -1.843) 2.518 5.795 ( -8.469 -4.890 -1.528) 9.898 6.238 ( -3.342 -1.929 5.803) 6.969 6.285 ( 1.983 1.145 6.852) 7.224 6.471 ( -1.854 -1.071 -6.507) 6.851 6.519 ( 1.001 0.578 -7.448) 7.537 7.185 ( 2.931 1.692 -0.794) 3.476 7.934 ( -1.844 -1.064 0.873) 2.301 8.194 ( -0.155 -0.090 0.675) 0.699 8.240 ( 3.510 2.027 0.804) 4.132 16.889 ( -0.008 -0.005 0.406) 0.406 16.892 ( -0.024 -0.014 0.200) 0.202 16.903 ( -0.011 -0.006 -1.095) 1.096 16.947 ( 3.985 2.301 -0.589) 4.639 17.528 ( -0.167 -0.097 -0.078) 0.208 18.010 ( -5.082 -2.934 -0.546) 5.893======================= Grid point 547 (105/124) =======================q-point: ( 0.20 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( 3.358 1.939 5.050) 6.367 1.625 ( 13.030 7.523 2.671) 15.281 2.011 ( -4.031 -2.327 3.418) 5.775 2.284 ( -0.235 -0.136 -0.322) 0.421 2.483 ( 4.764 2.751 -0.966) 5.585 2.520 ( 9.861 5.693 1.853) 11.537 2.876 ( -0.436 -0.252 0.594) 0.779 3.079 ( 1.716 0.990 -5.266) 5.626 3.193 ( -6.635 -3.831 -2.985) 8.222 3.362 ( 0.217 0.125 2.831) 2.842 3.569 ( 6.210 3.585 2.398) 7.561 3.938 ( 2.220 1.282 -2.052) 3.284 5.553 ( -11.674 -6.740 -1.390) 13.552 6.135 ( -5.173 -2.987 5.009) 7.796 6.349 ( 3.193 1.844 6.837) 7.767 6.418 ( -2.688 -1.552 -5.789) 6.568 6.542 ( 1.048 0.605 -7.930) 8.022 7.266 ( 3.796 2.192 -0.815) 4.459 7.875 ( -3.149 -1.818 1.021) 3.776 8.190 ( -0.217 -0.125 0.623) 0.671 8.338 ( 4.629 2.673 1.057) 5.449 16.888 ( -0.100 -0.058 0.173) 0.208 16.893 ( 0.229 0.132 -0.068) 0.273 16.903 ( -0.000 -0.000 -1.009) 1.009 17.063 ( 5.559 3.209 0.367) 6.429 17.523 ( -0.396 -0.229 -0.151) 0.482 17.855 ( -7.809 -4.508 -1.113) 9.085======================= Grid point 548 (106/124) =======================q-point: ( 0.30 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.381 ( 3.278 1.892 4.140) 5.610 1.872 ( 3.095 1.787 9.673) 10.312 1.965 ( 5.239 3.025 -4.735) 7.682 2.278 ( -0.175 -0.101 -0.608) 0.641 2.563 ( 1.892 1.092 1.462) 2.629 2.749 ( 9.395 5.424 2.647) 11.167 2.909 ( 2.703 1.560 -1.835) 3.621 3.042 ( -5.994 -3.461 -3.489) 7.751 3.118 ( 1.539 0.889 -5.524) 5.803 3.370 ( 0.515 0.297 2.930) 2.990 3.679 ( 3.323 1.919 3.253) 5.031 3.999 ( 3.063 1.768 -1.828) 3.981 5.297 ( -10.012 -5.780 -2.130) 11.755 6.018 ( -4.702 -2.715 5.059) 7.421 6.352 ( -2.894 -1.671 -5.669) 6.580 6.413 ( 2.067 1.194 6.924) 7.324 6.572 ( 1.693 0.977 -8.068) 8.302 7.347 ( 3.061 1.768 -0.863) 3.639 7.798 ( -3.429 -1.980 1.159) 4.126 8.186 ( -0.140 -0.081 0.596) 0.618 8.438 ( 3.885 2.243 1.304) 4.671 16.884 ( -0.239 -0.138 -0.201) 0.341 16.904 ( 0.094 0.054 -0.707) 0.715 16.910 ( 1.492 0.861 -0.230) 1.738 17.170 ( 3.018 1.742 2.430) 4.248 17.499 ( -2.114 -1.221 0.092) 2.443 17.692 ( -5.196 -3.000 -3.195) 6.798======================= Grid point 549 (107/124) =======================q-point: ( 0.40 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( 2.191 1.265 2.641) 3.657 1.847 ( -1.313 -0.758 5.205) 5.421 2.161 ( 7.433 4.291 -0.819) 8.622 2.277 ( 0.040 0.023 -0.873) 0.874 2.576 ( -0.315 -0.182 2.540) 2.566 2.899 ( -3.929 -2.269 -4.038) 6.074 2.921 ( 5.065 2.925 4.178) 7.188 2.998 ( 2.000 1.155 -2.124) 3.138 3.142 ( 0.438 0.253 -3.725) 3.759 3.390 ( 1.279 0.739 0.535) 1.571 3.730 ( 1.405 0.811 2.715) 3.163 4.066 ( 2.368 1.367 -1.144) 2.964 5.115 ( -5.515 -3.184 -3.158) 7.109 5.929 ( -2.848 -1.644 5.585) 6.481 6.294 ( -1.904 -1.099 -5.858) 6.257 6.441 ( 0.486 0.281 5.735) 5.763 6.614 ( 1.641 0.947 -6.563) 6.831 7.401 ( 1.613 0.931 -0.873) 2.057 7.729 ( -2.314 -1.336 1.291) 2.968 8.184 ( -0.040 -0.023 0.578) 0.580 8.509 ( 2.238 1.292 1.253) 2.872 16.878 ( -0.251 -0.145 -0.268) 0.394 16.907 ( 0.118 0.068 -0.609) 0.624 16.967 ( 3.460 1.997 -0.446) 4.020 17.171 ( -2.914 -1.682 3.858) 5.119 17.442 ( -1.693 -0.977 -0.508) 2.020 17.635 ( -0.718 -0.415 -3.810) 3.900======================= Grid point 550 (108/124) =======================q-point: (-0.50 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 0.627 0.362 1.032) 1.261 1.839 ( 0.622 0.359 3.028) 3.111 2.248 ( -0.694 -0.401 1.389) 1.604 2.279 ( 0.173 0.100 -1.251) 1.267 2.578 ( 1.153 0.666 1.217) 1.804 2.834 ( -1.127 -0.651 -2.590) 2.898 2.968 ( -0.817 -0.472 6.575) 6.642 3.020 ( -0.580 -0.335 -1.322) 1.482 3.137 ( -1.073 -0.619 -1.762) 2.153 3.423 ( 1.430 0.826 -2.703) 3.167 3.753 ( 0.653 0.377 1.472) 1.654 4.094 ( -0.104 -0.060 -0.853) 0.861 5.053 ( 0.181 0.105 -3.842) 3.848 5.893 ( -0.311 -0.180 6.185) 6.195 6.273 ( 0.156 0.090 -6.078) 6.081 6.444 ( -0.122 -0.070 5.330) 5.331 6.634 ( -0.060 -0.035 -5.716) 5.717 7.420 ( -0.029 -0.017 -0.822) 0.822 7.701 ( -0.025 -0.015 1.393) 1.393 8.183 ( -0.003 -0.002 0.569) 0.569 8.538 ( 0.184 0.106 0.908) 0.932 16.873 ( -0.134 -0.077 -0.054) 0.164 16.909 ( 0.066 0.038 -0.701) 0.705 17.020 ( -1.987 -1.147 1.913) 2.988 17.130 ( 3.400 1.963 -0.816) 4.010 17.425 ( -0.261 -0.150 -0.079) 0.311 17.619 ( -1.067 -0.616 -2.062) 2.402======================= Grid point 552 (109/124) =======================q-point: (-0.40 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.472 ( -1.260 -0.728 0.066) 1.457 1.867 ( 1.436 0.829 3.159) 3.567 2.139 ( -7.683 -4.436 1.557) 9.007 2.284 ( 0.267 0.154 -1.706) 1.733 2.617 ( 1.310 0.756 -1.040) 1.836 2.857 ( 2.997 1.730 -0.296) 3.474 2.899 ( -5.115 -2.953 6.490) 8.776 2.973 ( -3.010 -1.738 0.191) 3.481 3.087 ( -3.024 -1.746 1.062) 3.650 3.448 ( 0.665 0.384 -4.619) 4.683 3.760 ( -0.157 -0.091 -0.135) 0.226 4.059 ( -2.861 -1.652 -0.633) 3.363 5.123 ( 5.850 3.378 -3.941) 7.821 5.916 ( 2.287 1.321 6.616) 7.124 6.302 ( 2.216 1.279 -6.230) 6.735 6.436 ( -0.574 -0.331 6.386) 6.420 6.611 ( -1.845 -1.065 -6.401) 6.747 7.400 ( -1.642 -0.948 -0.761) 2.043 7.728 ( 2.290 1.322 1.396) 2.990 8.183 ( 0.021 0.012 0.600) 0.601 8.517 ( -1.983 -1.145 0.482) 2.340 16.872 ( 0.048 0.027 0.251) 0.257 16.909 ( -0.024 -0.014 -0.840) 0.840 16.944 ( -3.030 -1.749 1.835) 3.951 17.257 ( 4.387 2.533 -4.763) 6.953 17.429 ( 1.643 0.949 0.930) 2.113 17.589 ( -1.010 -0.583 0.737) 1.379======================= Grid point 553 (110/124) =======================q-point: (-0.30 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.421 ( -3.053 -1.763 0.250) 3.534 1.835 ( -7.671 -4.429 8.188) 12.062 1.992 ( -1.216 -0.702 -1.976) 2.424 2.292 ( 0.350 0.202 -2.060) 2.100 2.604 ( -2.844 -1.642 -2.597) 4.187 2.734 ( -8.974 -5.181 4.184) 11.175 2.887 ( -1.610 -0.929 0.538) 1.935 2.987 ( 5.934 3.426 1.616) 7.040 3.021 ( -2.257 -1.303 3.700) 4.525 3.451 ( -0.405 -0.234 -4.857) 4.880 3.732 ( -2.810 -1.622 -1.966) 3.793 3.979 ( -3.502 -2.022 0.052) 4.044 5.311 ( 10.174 5.874 -3.538) 12.269 5.993 ( 4.312 2.489 6.863) 8.479 6.366 ( 3.191 1.842 -6.413) 7.396 6.412 ( -1.692 -0.977 7.971) 8.207 6.562 ( -2.114 -1.221 -7.848) 8.219 7.346 ( -3.040 -1.755 -0.745) 3.588 7.797 ( 3.442 1.987 1.275) 4.175 8.185 ( 0.108 0.062 0.680) 0.691 8.448 ( -3.892 -2.247 0.225) 4.500 16.875 ( 0.212 0.122 0.498) 0.555 16.896 ( -1.197 -0.691 1.187) 1.822 16.908 ( -0.109 -0.063 -0.939) 0.948 17.235 ( -4.979 -2.875 -4.108) 7.066 17.508 ( 1.884 1.088 -1.063) 2.422 17.638 ( 7.121 4.112 2.547) 8.608======================= Grid point 554 (111/124) =======================q-point: (-0.20 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.340 ( -3.767 -2.175 1.411) 4.573 1.581 ( -12.250 -7.073 6.403) 15.527 2.033 ( 2.955 1.706 2.011) 3.961 2.299 ( 0.178 0.103 -1.919) 1.930 2.495 ( -5.934 -3.426 -2.139) 7.178 2.511 ( -9.712 -5.607 2.647) 11.522 2.888 ( 1.890 1.091 -0.448) 2.228 2.990 ( -0.555 -0.320 3.606) 3.662 3.145 ( 7.204 4.159 1.589) 8.469 3.431 ( -1.250 -0.722 -4.008) 4.260 3.612 ( -7.417 -4.282 -2.067) 8.811 3.921 ( -1.608 -0.929 -0.321) 1.885 5.567 ( 11.464 6.619 -2.827) 13.536 6.104 ( 5.116 2.954 7.022) 9.176 6.359 ( -2.664 -1.538 7.454) 8.064 6.438 ( 2.842 1.641 -6.744) 7.500 6.523 ( -1.264 -0.730 -7.562) 7.702 7.266 ( -3.765 -2.174 -0.770) 4.415 7.875 ( 3.172 1.831 1.085) 3.820 8.188 ( 0.207 0.120 0.762) 0.799 8.345 ( -4.851 -2.801 0.279) 5.608 16.881 ( 0.272 0.157 0.615) 0.691 16.883 ( -0.020 -0.011 0.770) 0.771 16.905 ( -0.130 -0.075 -0.984) 0.996 17.091 ( -6.728 -3.884 -2.417) 8.136 17.523 ( 0.261 0.151 -0.240) 0.385 17.840 ( 8.846 5.107 0.428) 10.224======================= Grid point 555 (112/124) =======================q-point: (-0.10 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.261 ( -2.776 -1.603 2.985) 4.380 1.326 ( -8.853 -5.111 5.409) 11.565 2.100 ( 2.483 1.433 4.668) 5.478 2.281 ( -3.084 -1.780 1.611) 3.908 2.339 ( -3.279 -1.893 -1.106) 3.945 2.370 ( -4.292 -2.478 -1.867) 5.296 2.961 ( 3.923 2.265 -1.600) 4.804 2.992 ( 0.613 0.354 1.761) 1.898 3.295 ( 5.381 3.107 0.820) 6.267 3.399 ( -1.418 -0.819 -2.563) 3.041 3.423 ( -8.086 -4.669 -0.257) 9.341 3.891 ( -1.070 -0.618 -1.466) 1.917 5.800 ( 8.006 4.622 -2.086) 9.477 6.213 ( 4.005 2.312 7.108) 8.480 6.303 ( -2.028 -1.171 6.386) 6.802 6.489 ( 1.442 0.833 -7.167) 7.358 6.501 ( -0.606 -0.350 -6.936) 6.971 7.185 ( -2.926 -1.690 -0.793) 3.471 7.934 ( 1.856 1.072 0.887) 2.320 8.193 ( 0.190 0.110 0.788) 0.818 8.242 ( -3.691 -2.131 0.557) 4.299 16.886 ( 0.170 0.098 0.603) 0.634 16.888 ( 0.262 0.151 0.493) 0.578 16.903 ( -0.042 -0.024 -1.004) 1.005 16.956 ( -4.565 -2.636 -1.356) 5.443 17.528 ( 0.172 0.099 -0.072) 0.212 18.008 ( 5.306 3.063 -0.369) 6.138======================= Grid point 557 (113/124) =======================q-point: ( 0.10 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.311 ( 1.217 5.389 3.756) 6.680 1.517 ( 8.260 10.591 4.039) 14.026 2.043 ( -2.672 -3.199 3.440) 5.405 2.341 ( -1.331 2.789 -1.768) 3.560 2.364 ( 4.359 3.477 0.831) 5.638 2.500 ( 4.934 8.591 0.254) 9.910 2.888 ( -1.871 -1.695 0.706) 2.621 3.028 ( 3.109 -1.265 -1.358) 3.621 3.216 ( -1.676 -7.409 0.661) 7.625 3.381 ( -2.203 2.152 -1.925) 3.632 3.561 ( 3.421 8.982 0.113) 9.612 3.914 ( 1.176 0.818 -1.351) 1.969 5.628 ( -7.005 -11.071 -1.907) 13.239 6.168 ( -0.822 -4.476 6.207) 7.697 6.318 ( 0.120 1.843 6.276) 6.542 6.448 ( -1.923 -1.560 -5.979) 6.472 6.523 ( 1.124 0.155 -7.477) 7.562 7.244 ( 2.250 3.874 -0.793) 4.549 7.894 ( -1.662 -2.914 1.008) 3.503 8.195 ( 0.174 0.150 0.711) 0.747 8.309 ( 2.281 4.510 0.651) 5.096 16.884 ( 0.114 -0.570 0.326) 0.666 16.888 ( 0.170 -0.034 0.580) 0.605 16.904 ( 0.057 0.129 -1.097) 1.106 17.041 ( 2.706 6.561 -1.081) 7.179 17.525 ( -0.139 -0.226 -0.155) 0.307 17.897 ( -4.209 -8.097 -0.363) 9.133======================= Grid point 558 (114/124) =======================q-point: ( 0.20 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( 1.231 7.458 3.904) 8.507 1.776 ( 10.251 7.031 4.622) 13.261 1.964 ( -2.614 -1.969 0.809) 3.371 2.339 ( -3.096 5.234 -0.965) 6.157 2.491 ( 6.642 0.091 0.267) 6.648 2.671 ( 5.688 6.554 2.289) 8.975 2.889 ( 1.791 2.006 -0.498) 2.735 3.031 ( -0.820 -6.229 -3.599) 7.241 3.131 ( -0.371 -1.210 -0.707) 1.450 3.380 ( -0.555 2.069 -0.062) 2.143 3.691 ( 1.483 7.481 1.852) 7.848 3.948 ( 2.854 -0.470 -1.643) 3.326 5.384 ( -8.484 -9.516 -2.090) 12.919 6.086 ( -4.497 -1.914 5.468) 7.334 6.346 ( 1.768 -1.501 3.017) 3.806 6.403 ( -1.291 -0.450 -1.797) 2.258 6.541 ( 1.365 -0.574 -8.082) 8.216 7.325 ( 2.583 3.461 -0.832) 4.398 7.825 ( -2.626 -3.157 1.142) 4.262 8.201 ( -0.289 1.286 0.617) 1.455 8.397 ( 3.270 2.950 1.015) 4.520 16.879 ( -0.011 -0.760 -0.137) 0.772 16.892 ( 0.395 -0.208 0.575) 0.728 16.912 ( 0.473 0.989 -1.008) 1.490 17.157 ( 2.840 5.739 0.375) 6.414 17.516 ( -0.835 -0.407 -0.100) 0.934 17.727 ( -5.098 -7.994 -1.536) 9.605======================= Grid point 559 (115/124) =======================q-point: ( 0.30 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( -0.501 8.488 3.064) 9.039 1.867 ( -1.670 -0.798 6.548) 6.804 2.045 ( 9.250 3.368 -1.911) 10.028 2.342 ( -3.071 6.236 -1.043) 7.029 2.562 ( 1.935 -0.670 2.148) 2.968 2.828 ( 7.337 1.855 1.914) 7.807 2.908 ( -2.386 -5.923 -3.342) 7.208 2.970 ( 2.466 1.373 -0.737) 2.917 3.150 ( 0.483 1.666 -2.244) 2.836 3.399 ( -0.030 2.595 -0.288) 2.611 3.752 ( -0.966 4.638 2.611) 5.409 4.006 ( 4.400 -1.088 -1.330) 4.724 5.175 ( -6.310 -5.966 -2.910) 9.159 5.994 ( -4.872 0.254 5.590) 7.419 6.321 ( -1.782 -1.188 -4.912) 5.358 6.412 ( 1.904 -1.392 6.188) 6.622 6.563 ( 2.575 -1.893 -8.047) 8.659 7.393 ( 1.604 2.620 -0.875) 3.194 7.750 ( -2.389 -2.671 1.272) 3.802 8.209 ( -0.982 2.436 0.575) 2.689 8.472 ( 3.027 0.989 1.219) 3.410 16.870 ( 0.084 -0.980 -0.309) 1.031 16.895 ( 0.540 -0.730 0.004) 0.908 16.948 ( 1.790 2.477 -0.439) 3.087 17.221 ( -1.516 3.200 2.798) 4.513 17.468 ( -3.035 -1.875 -0.096) 3.569 17.616 ( 0.043 -4.404 -3.762) 5.792======================= Grid point 560 (116/124) =======================q-point: ( 0.40 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.545 ( -2.688 8.315 1.665) 8.896 1.841 ( -0.551 0.203 3.891) 3.935 2.191 ( 4.865 -0.482 0.387) 4.905 2.357 ( -3.025 6.747 -0.955) 7.456 2.566 ( 0.300 -0.638 2.191) 2.302 2.811 ( -0.383 -5.696 -3.234) 6.562 2.953 ( 4.140 0.746 3.497) 5.471 3.001 ( 0.357 -1.343 -0.094) 1.393 3.160 ( -1.093 1.176 -1.488) 2.190 3.428 ( 0.242 2.684 -2.508) 3.681 3.770 ( -0.871 2.838 2.052) 3.609 4.057 ( 2.890 -2.178 -0.783) 3.702 5.060 ( -2.099 -2.117 -3.708) 4.758 5.934 ( -3.213 2.113 6.033) 7.155 6.289 ( -1.296 0.606 -5.814) 5.987 6.421 ( 1.394 -2.358 6.330) 6.897 6.586 ( 2.862 -3.463 -7.140) 8.436 7.429 ( 0.096 1.656 -0.858) 1.867 7.700 ( -0.765 -1.475 1.383) 2.162 8.214 ( -1.575 3.003 0.587) 3.441 8.516 ( 1.838 -0.675 1.070) 2.231 16.863 ( 0.312 -1.055 -0.208) 1.120 16.897 ( 0.619 -0.948 -0.272) 1.164 17.015 ( 2.318 2.073 0.340) 3.128 17.174 ( -4.635 2.412 1.776) 5.519 17.427 ( -0.401 -0.589 -0.399) 0.817 17.599 ( 1.148 -3.172 -3.027) 4.532======================= Grid point 561 (117/124) =======================q-point: (-0.50 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.557 ( -4.729 6.921 0.433) 8.393 1.852 ( 0.996 0.754 2.852) 3.114 2.184 ( -2.893 -4.618 1.266) 5.594 2.353 ( -4.153 5.553 -0.645) 6.964 2.588 ( 2.235 0.253 0.317) 2.271 2.792 ( 3.299 -2.723 -1.705) 4.605 2.935 ( -3.527 -3.916 4.356) 6.837 2.998 ( -0.171 -0.704 1.279) 1.469 3.136 ( -2.726 0.663 0.223) 2.815 3.453 ( -0.061 1.684 -4.495) 4.800 3.783 ( -0.788 2.676 0.806) 2.903 4.053 ( 0.120 -3.898 -0.522) 3.935 5.063 ( 3.199 0.820 -4.003) 5.190 5.929 ( -0.771 3.716 6.417) 7.455 6.293 ( 0.435 1.662 -6.087) 6.324 6.417 ( 1.098 -2.724 6.757) 7.367 6.586 ( 1.481 -4.089 -7.100) 8.326 7.428 ( -1.531 0.727 -0.799) 1.874 7.700 ( 1.621 -0.082 1.430) 2.163 8.214 ( -1.834 2.814 0.632) 3.418 8.520 ( -0.016 -1.819 0.710) 1.952 16.861 ( 0.519 -0.863 0.058) 1.009 16.897 ( 0.578 -1.013 -0.326) 1.211 16.998 ( -3.771 -0.558 1.763) 4.200 17.222 ( 3.913 6.188 -2.729) 7.814 17.420 ( -0.002 -0.449 0.326) 0.555 17.577 ( 0.216 -3.384 -0.912) 3.512======================= Grid point 562 (118/124) =======================q-point: (-0.40 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( -6.406 4.328 0.144) 7.732 1.874 ( 0.004 -0.269 5.411) 5.417 2.033 ( -6.495 -5.342 -0.129) 8.411 2.344 ( -3.073 5.178 -1.299) 6.160 2.605 ( -0.354 -2.517 -1.859) 3.149 2.805 ( -5.239 -5.249 4.287) 8.566 2.867 ( 6.212 0.117 -0.337) 6.222 2.957 ( -3.378 -0.306 1.310) 3.636 3.087 ( -3.724 1.810 2.858) 5.031 3.454 ( -0.698 -0.269 -4.926) 4.982 3.789 ( -2.429 3.047 -0.931) 4.006 3.990 ( -1.760 -4.873 0.022) 5.181 5.183 ( 8.642 2.245 -3.688) 9.660 5.979 ( 1.645 4.657 6.580) 8.227 6.332 ( 2.208 1.186 -5.804) 6.322 6.403 ( 0.448 -2.646 7.319) 7.795 6.560 ( -0.044 -2.999 -7.882) 8.434 7.392 ( -3.081 -0.053 -0.764) 3.175 7.749 ( 3.493 0.762 1.360) 3.825 8.208 ( -1.615 2.021 0.687) 2.677 8.480 ( -2.196 -2.292 0.421) 3.202 16.864 ( 0.621 -0.442 0.340) 0.835 16.896 ( 0.297 -0.856 0.034) 0.907 16.936 ( -2.808 0.322 0.463) 2.864 17.292 ( -2.903 0.412 -4.309) 5.213 17.470 ( 5.231 3.249 -0.284) 6.164 17.560 ( 2.617 -2.046 1.896) 3.825======================= Grid point 563 (119/124) =======================q-point: (-0.30 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.426 ( -6.905 0.730 1.375) 7.079 1.744 ( -11.388 -2.840 6.487) 13.410 1.985 ( 2.856 -0.597 0.235) 2.928 2.346 ( -2.455 4.645 -1.787) 5.550 2.505 ( -4.610 -7.308 -0.996) 8.698 2.667 ( -7.930 -1.103 2.577) 8.411 2.883 ( -1.989 0.119 0.215) 2.004 2.995 ( 3.820 0.754 -0.211) 3.900 3.082 ( 2.028 3.881 3.454) 5.577 3.425 ( -0.958 -2.366 -3.990) 4.737 3.724 ( -7.316 -0.162 -1.500) 7.470 3.931 ( -0.759 -1.601 -0.039) 1.772 5.392 ( 12.656 1.887 -2.880) 13.116 6.070 ( 3.454 4.172 6.519) 8.475 6.355 ( 0.169 -2.992 4.580) 5.474 6.406 ( 1.997 0.858 -3.343) 3.988 6.534 ( -0.637 -0.871 -7.903) 7.976 7.324 ( -4.274 -0.458 -0.775) 4.368 7.824 ( 4.051 0.740 1.196) 4.288 8.200 ( -0.969 0.950 0.723) 1.538 8.403 ( -4.187 -1.851 0.412) 4.596 16.873 ( 0.589 0.062 0.475) 0.759 16.890 ( -0.271 -0.142 0.770) 0.828 16.910 ( -0.800 0.194 -0.939) 1.248 17.183 ( -7.018 -2.135 -2.311) 7.691 17.520 ( 0.326 0.159 -0.515) 0.630 17.706 ( 10.571 2.452 0.659) 10.872======================= Grid point 568 (120/124) =======================q-point: ( 0.20 0.20 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.569 ( 3.481 8.546 1.792) 9.400 1.870 ( 1.386 1.202 7.284) 7.511 1.968 ( 2.070 3.824 -2.126) 4.840 2.446 ( 3.295 3.271 -0.983) 4.746 2.517 ( -0.922 3.827 -0.276) 3.946 2.756 ( 2.624 2.776 2.666) 4.658 2.881 ( -2.896 -7.648 -2.234) 8.477 2.954 ( 2.216 3.546 0.704) 4.240 3.134 ( 3.058 1.131 1.967) 3.807 3.432 ( -0.461 2.677 -3.648) 4.548 3.832 ( 0.589 5.947 0.406) 5.990 3.922 ( 1.135 -1.654 -0.402) 2.046 5.203 ( -4.951 -8.081 -3.176) 9.995 6.051 ( -0.378 -1.719 6.200) 6.445 6.319 ( -1.246 -1.038 1.261) 2.054 6.385 ( -0.249 -1.258 0.095) 1.286 6.526 ( -0.424 -0.793 -8.131) 8.181 7.392 ( 1.817 3.077 -0.824) 3.667 7.757 ( -1.953 -3.429 1.312) 4.159 8.236 ( 1.279 2.063 0.668) 2.517 8.447 ( 0.862 2.049 0.786) 2.358 16.863 ( -0.183 -0.764 0.129) 0.796 16.885 ( -0.310 -0.432 0.185) 0.563 16.943 ( 1.547 2.149 -0.160) 2.653 17.273 ( 0.833 5.514 -0.543) 5.603 17.507 ( -2.504 -0.605 0.294) 2.593 17.554 ( -1.116 -8.831 -1.744) 9.070======================= Grid point 569 (121/124) =======================q-point: ( 0.30 0.20 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.692 ( -1.002 11.184 1.634) 11.347 1.857 ( -1.066 -0.182 4.333) 4.466 2.086 ( 6.161 0.704 0.211) 6.204 2.494 ( -3.386 7.776 -1.404) 8.597 2.548 ( 1.529 -0.564 2.343) 2.854 2.762 ( -1.372 -5.679 -2.478) 6.346 2.854 ( 5.880 -0.039 0.021) 5.880 2.994 ( 0.007 -0.087 2.538) 2.540 3.180 ( 0.606 1.240 0.819) 1.605 3.456 ( -0.053 2.715 -4.480) 5.238 3.841 ( -3.362 3.877 1.744) 5.420 3.964 ( 4.619 -2.797 -0.507) 5.424 5.075 ( -2.839 -3.831 -3.776) 6.082 6.024 ( -3.054 2.726 6.316) 7.527 6.298 ( 0.593 -2.026 0.496) 2.168 6.372 ( 0.272 -1.502 1.038) 1.846 6.510 ( 0.997 -3.032 -8.365) 8.954 7.441 ( 0.781 2.066 -0.858) 2.370 7.698 ( -1.273 -2.330 1.415) 3.009 8.276 ( -0.488 3.982 0.627) 4.060 8.473 ( 1.510 -0.883 0.999) 2.014 16.852 ( -0.138 -0.709 -0.090) 0.728 16.876 ( 0.265 -1.060 0.019) 1.093 17.001 ( 2.075 2.643 0.540) 3.404 17.292 ( -4.588 3.795 1.602) 6.166 17.426 ( -0.925 -2.229 -0.922) 2.583 17.526 ( 2.187 -4.473 -2.954) 5.789======================= Grid point 570 (122/124) =======================q-point: ( 0.40 0.20 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -5.777 10.779 0.884) 12.261 1.850 ( 0.051 0.476 3.382) 3.415 2.148 ( 2.192 -4.166 0.943) 4.801 2.497 ( -4.547 5.931 0.044) 7.474 2.557 ( 1.271 -0.025 1.298) 1.817 2.721 ( 1.063 -1.729 -2.944) 3.576 2.929 ( 1.059 -4.729 -1.739) 5.148 2.969 ( 0.942 -0.138 5.610) 5.690 3.182 ( -1.358 1.044 1.350) 2.181 3.477 ( -0.399 1.866 -5.769) 6.077 3.833 ( -1.416 3.387 1.433) 3.941 3.990 ( 2.132 -4.205 -0.004) 4.715 5.032 ( 0.527 -0.788 -4.142) 4.249 6.009 ( -3.110 5.141 6.486) 8.841 6.296 ( 1.529 -2.165 0.635) 2.726 6.363 ( 0.307 -1.205 1.031) 1.615 6.505 ( 2.426 -3.998 -8.399) 9.613 7.458 ( -0.667 1.122 -0.839) 1.551 7.675 ( 0.550 -0.971 1.472) 1.847 8.292 ( -2.563 4.346 0.692) 5.092 8.483 ( 1.592 -2.532 0.871) 3.116 16.846 ( 0.194 -0.463 -0.035) 0.503 16.874 ( 0.727 -1.215 -0.085) 1.419 17.038 ( -0.710 0.466 1.718) 1.917 17.264 ( -1.622 5.990 -1.148) 6.311 17.416 ( -0.105 -0.656 -0.123) 0.676 17.515 ( 2.018 -4.976 -2.130) 5.777======================= Grid point 572 (123/124) =======================q-point: (-0.50 0.20 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.704 ( -8.561 5.732 0.442) 10.312 1.863 ( 0.807 0.273 3.768) 3.863 2.079 ( -4.031 -4.591 0.984) 6.188 2.474 ( -4.352 5.654 0.699) 7.169 2.581 ( 0.407 -1.426 -0.835) 1.702 2.758 ( 4.726 -0.523 -2.527) 5.384 2.833 ( -3.600 -4.250 2.007) 5.920 2.994 ( -0.210 -0.002 2.972) 2.979 3.162 ( -2.477 1.594 1.946) 3.530 3.472 ( -1.367 0.026 -5.575) 5.741 3.859 ( -0.691 4.795 0.119) 4.846 3.952 ( -0.503 -5.857 0.505) 5.900 5.077 ( 4.869 0.378 -3.954) 6.284 6.021 ( -1.094 4.300 6.508) 7.876 6.304 ( 1.797 -2.074 0.883) 2.883 6.364 ( 0.888 -0.350 0.716) 1.193 6.512 ( 2.097 -2.463 -8.282) 8.892 7.441 ( -2.200 0.391 -0.816) 2.379 7.698 ( 2.640 -0.041 1.442) 3.009 8.274 ( -3.224 2.460 0.737) 4.121 8.476 ( 0.144 -1.959 0.699) 2.085 16.850 ( 0.572 -0.099 0.130) 0.595 16.877 ( 0.808 -0.786 -0.061) 1.129 16.995 ( -3.430 0.103 1.013) 3.578 17.341 ( -0.264 4.029 -3.199) 5.151 17.405 ( 3.157 -0.537 1.116) 3.391 17.505 ( 1.489 -2.769 -0.823) 3.250======================= Grid point 580 (124/124) =======================q-point: ( 0.30 0.30 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.39e-05 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.853 ( 0.187 0.361 3.399) 3.423 1.898 ( 4.085 7.665 1.044) 8.748 2.064 ( -1.470 -2.871 0.856) 3.337 2.544 ( 0.742 0.429 1.623) 1.835 2.566 ( -0.742 -0.835 -0.027) 1.117 2.748 ( 1.340 3.725 -3.263) 5.130 2.844 ( 0.325 -0.968 -1.305) 1.657 2.968 ( -1.211 -1.875 4.945) 5.425 3.197 ( 0.491 0.459 2.572) 2.658 3.494 ( 0.352 0.944 -7.095) 7.167 3.891 ( -0.349 0.603 1.112) 1.312 3.920 ( 0.214 -0.720 0.721) 1.041 5.025 ( -0.739 -1.248 -4.258) 4.498 6.095 ( 2.275 3.842 6.792) 8.128 6.223 ( -2.580 -4.373 6.712) 8.416 6.382 ( 1.160 1.793 -5.975) 6.345 6.451 ( -1.652 -2.702 -7.751) 8.373 7.470 ( 0.437 0.746 -0.840) 1.205 7.665 ( -0.533 -0.928 1.498) 1.841 8.354 ( 2.060 3.482 0.757) 4.116 8.439 ( -1.380 -2.269 0.833) 2.783 16.845 ( 0.037 0.003 -0.003) 0.037 16.857 ( -0.448 -0.736 -0.037) 0.862 17.043 ( 0.859 1.309 1.841) 2.416 17.364 ( -1.835 2.400 -0.806) 3.127 17.388 ( 2.671 -0.451 -1.132) 2.936 17.446 ( -1.757 -3.340 -1.666) 4.125=================== 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 3/29700 10.0 169.291 169.291 120.161 -0.000 0.000 -0.000 3/29700 20.0 25.833 25.833 24.358 0.000 0.000 -0.000 3/29700 30.0 10.490 10.490 9.940 0.000 0.000 -0.000 3/29700 40.0 6.217 6.217 5.889 0.000 0.000 -0.000 3/29700 50.0 4.379 4.379 4.180 0.000 0.000 -0.000 3/29700 60.0 3.385 3.385 3.280 0.000 0.000 -0.000 3/29700 70.0 2.771 2.771 2.738 0.000 0.000 -0.000 3/29700 80.0 2.359 2.359 2.379 0.000 0.000 -0.000 3/29700 90.0 2.066 2.066 2.124 0.000 0.000 -0.000 3/29700 100.0 1.853 1.853 1.934 0.000 0.000 -0.000 3/29700 110.0 1.693 1.693 1.788 0.000 0.000 -0.000 3/29700 120.0 1.571 1.571 1.671 0.000 0.000 -0.000 3/29700 130.0 1.478 1.478 1.576 0.000 0.000 -0.000 3/29700 140.0 1.405 1.405 1.498 0.000 0.000 -0.000 3/29700 150.0 1.347 1.347 1.432 0.000 0.000 -0.000 3/29700 160.0 1.299 1.299 1.375 0.000 0.000 -0.000 3/29700 170.0 1.260 1.260 1.326 0.000 0.000 -0.000 3/29700 180.0 1.226 1.226 1.281 0.000 0.000 -0.000 3/29700 190.0 1.197 1.197 1.242 0.000 0.000 -0.000 3/29700 200.0 1.170 1.170 1.205 0.000 0.000 -0.000 3/29700 210.0 1.146 1.146 1.172 0.000 0.000 -0.000 3/29700 220.0 1.123 1.123 1.140 0.000 0.000 -0.000 3/29700 230.0 1.101 1.101 1.111 0.000 0.000 -0.000 3/29700 240.0 1.080 1.080 1.083 0.000 0.000 -0.000 3/29700 250.0 1.060 1.060 1.057 0.000 0.000 -0.000 3/29700 260.0 1.041 1.041 1.031 0.000 0.000 -0.000 3/29700 270.0 1.022 1.022 1.007 0.000 0.000 -0.000 3/29700 280.0 1.004 1.004 0.984 0.000 0.000 -0.000 3/29700 290.0 0.986 0.986 0.962 0.000 0.000 -0.000 3/29700 300.0 0.968 0.968 0.941 0.000 0.000 -0.000 3/29700 310.0 0.951 0.951 0.921 0.000 0.000 -0.000 3/29700 320.0 0.934 0.934 0.901 0.000 0.000 -0.000 3/29700 330.0 0.917 0.917 0.882 0.000 0.000 -0.000 3/29700 340.0 0.901 0.901 0.864 0.000 0.000 -0.000 3/29700 350.0 0.885 0.885 0.846 0.000 0.000 -0.000 3/29700 360.0 0.870 0.870 0.829 0.000 0.000 -0.000 3/29700 370.0 0.855 0.855 0.812 0.000 0.000 -0.000 3/29700 380.0 0.840 0.840 0.796 0.000 0.000 -0.000 3/29700 390.0 0.826 0.826 0.781 0.000 0.000 -0.000 3/29700 400.0 0.812 0.812 0.766 0.000 0.000 -0.000 3/29700 410.0 0.798 0.798 0.752 0.000 0.000 -0.000 3/29700 420.0 0.785 0.785 0.738 0.000 0.000 -0.000 3/29700 430.0 0.772 0.772 0.724 0.000 0.000 -0.000 3/29700 440.0 0.759 0.759 0.711 0.000 0.000 -0.000 3/29700 450.0 0.747 0.747 0.698 0.000 0.000 -0.000 3/29700 460.0 0.735 0.735 0.686 0.000 0.000 -0.000 3/29700 470.0 0.723 0.723 0.674 0.000 0.000 -0.000 3/29700 480.0 0.711 0.711 0.663 0.000 0.000 -0.000 3/29700 490.0 0.700 0.700 0.651 0.000 0.000 -0.000 3/29700 500.0 0.689 0.689 0.641 0.000 0.000 -0.000 3/29700 510.0 0.679 0.679 0.630 0.000 0.000 -0.000 3/29700 520.0 0.669 0.669 0.620 0.000 0.000 -0.000 3/29700 530.0 0.659 0.659 0.610 0.000 0.000 -0.000 3/29700 540.0 0.649 0.649 0.600 0.000 0.000 -0.000 3/29700 550.0 0.639 0.639 0.591 0.000 0.000 -0.000 3/29700 560.0 0.630 0.630 0.582 0.000 0.000 -0.000 3/29700 570.0 0.621 0.621 0.573 0.000 0.000 -0.000 3/29700 580.0 0.612 0.612 0.564 0.000 0.000 -0.000 3/29700 590.0 0.603 0.603 0.556 0.000 0.000 -0.000 3/29700 600.0 0.595 0.595 0.548 0.000 0.000 -0.000 3/29700 610.0 0.587 0.587 0.540 0.000 0.000 -0.000 3/29700 620.0 0.579 0.579 0.532 0.000 0.000 -0.000 3/29700 630.0 0.571 0.571 0.525 0.000 0.000 -0.000 3/29700 640.0 0.563 0.563 0.518 0.000 0.000 -0.000 3/29700 650.0 0.556 0.556 0.511 0.000 0.000 -0.000 3/29700 660.0 0.549 0.549 0.504 0.000 0.000 -0.000 3/29700 670.0 0.542 0.542 0.497 0.000 0.000 -0.000 3/29700 680.0 0.535 0.535 0.490 0.000 0.000 -0.000 3/29700 690.0 0.528 0.528 0.484 0.000 0.000 -0.000 3/29700 700.0 0.521 0.521 0.478 0.000 0.000 -0.000 3/29700 710.0 0.515 0.515 0.471 0.000 0.000 -0.000 3/29700 720.0 0.509 0.509 0.466 0.000 0.000 -0.000 3/29700 730.0 0.503 0.503 0.460 0.000 0.000 -0.000 3/29700 740.0 0.497 0.497 0.454 0.000 0.000 -0.000 3/29700 750.0 0.491 0.491 0.448 0.000 0.000 -0.000 3/29700 760.0 0.485 0.485 0.443 0.000 0.000 -0.000 3/29700 770.0 0.479 0.479 0.438 0.000 0.000 -0.000 3/29700 780.0 0.474 0.474 0.433 0.000 0.000 -0.000 3/29700 790.0 0.468 0.468 0.428 0.000 0.000 -0.000 3/29700 800.0 0.463 0.463 0.423 0.000 0.000 -0.000 3/29700 810.0 0.458 0.458 0.418 0.000 0.000 -0.000 3/29700 820.0 0.453 0.453 0.413 0.000 0.000 -0.000 3/29700 830.0 0.448 0.448 0.408 0.000 0.000 -0.000 3/29700 840.0 0.443 0.443 0.404 0.000 0.000 -0.000 3/29700 850.0 0.438 0.438 0.399 0.000 0.000 -0.000 3/29700 860.0 0.434 0.434 0.395 0.000 0.000 -0.000 3/29700 870.0 0.429 0.429 0.391 0.000 0.000 -0.000 3/29700 880.0 0.425 0.425 0.387 0.000 0.000 -0.000 3/29700 890.0 0.420 0.420 0.383 0.000 0.000 -0.000 3/29700 900.0 0.416 0.416 0.379 0.000 0.000 -0.000 3/29700 910.0 0.412 0.412 0.375 0.000 0.000 -0.000 3/29700 920.0 0.408 0.408 0.371 0.000 0.000 -0.000 3/29700 930.0 0.403 0.403 0.367 0.000 0.000 -0.000 3/29700 940.0 0.400 0.400 0.363 0.000 0.000 -0.000 3/29700 950.0 0.396 0.396 0.360 0.000 0.000 -0.000 3/29700 960.0 0.392 0.392 0.356 0.000 0.000 -0.000 3/29700 970.0 0.388 0.388 0.353 0.000 0.000 -0.000 3/29700 980.0 0.384 0.384 0.349 0.000 0.000 -0.000 3/29700 990.0 0.381 0.381 0.346 0.000 0.000 -0.000 3/29700 1000.0 0.377 0.377 0.343 0.000 0.000 -0.000 3/29700Thermal conductivity related properties were written into "kappa-m101011.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 19:50:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|