# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/5882ebe7-2799-4042-a722-2f5ce056ae60/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 Sr(AsO3)2 / P6_3/mcm (193) / materials id 983061](https://mdr.nims.go.jp/datasets/02abbd94-814b-4bfd-8a86-4a6bca6a17dc) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-09 04:47:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mcm (193)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 4.885877341639066 0.000000000000000 0.000000000000000 b -2.442938670819533 4.231293897634211 0.000000000000000 c 0.000000000000000 0.000000000000000 10.870693520000000Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 2 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 *3 As 0.33333333333333 0.66666666666667 0.00000000000000 74.922 4 As 0.66666666666667 0.33333333333333 0.00000000000000 74.922 5 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 6 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 *7 O 0.00000000000000 0.38269266334965 0.90369266456072 15.999 8 O 0.38269266334965 0.00000000000000 0.90369266456072 15.999 9 O 0.61730733665035 0.61730733665035 0.90369266456072 15.999 10 O 0.00000000000000 0.38269266334965 0.59630733543928 15.999 11 O 0.38269266334965 0.00000000000000 0.59630733543928 15.999 12 O 0.61730733665035 0.61730733665035 0.59630733543928 15.999 13 O 0.61730733665035 0.00000000000000 0.40369266456073 15.999 14 O 0.00000000000000 0.61730733665035 0.40369266456073 15.999 15 O 0.38269266334965 0.38269266334965 0.40369266456073 15.999 16 O 0.00000000000000 0.61730733665035 0.09630733543927 15.999 17 O 0.61730733665035 0.00000000000000 0.09630733543927 15.999 18 O 0.38269266334965 0.38269266334965 0.09630733543927 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.885877341639066 0.000000000000000 0.000000000000000 b -2.442938670819533 4.231293897634211 0.000000000000000 c 0.000000000000000 0.000000000000000 10.870693520000000Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 1 2 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 2 *3 As 0.33333333333333 0.66666666666667 0.00000000000000 74.922 > 3 4 As 0.66666666666667 0.33333333333333 0.00000000000000 74.922 > 4 5 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 > 5 6 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 > 6 *7 O 0.00000000000000 0.38269266334965 0.90369266456072 15.999 > 7 8 O 0.38269266334965 0.00000000000000 0.90369266456072 15.999 > 8 9 O 0.61730733665035 0.61730733665035 0.90369266456072 15.999 > 9 10 O 0.00000000000000 0.38269266334965 0.59630733543928 15.999 > 10 11 O 0.38269266334965 0.00000000000000 0.59630733543928 15.999 > 11 12 O 0.61730733665035 0.61730733665035 0.59630733543928 15.999 > 12 13 O 0.61730733665035 0.00000000000000 0.40369266456073 15.999 > 13 14 O 0.00000000000000 0.61730733665035 0.40369266456073 15.999 > 14 15 O 0.38269266334965 0.38269266334965 0.40369266456073 15.999 > 15 16 O 0.00000000000000 0.61730733665035 0.09630733543927 15.999 > 16 17 O 0.61730733665035 0.00000000000000 0.09630733543927 15.999 > 17 18 O 0.38269266334965 0.38269266334965 0.09630733543927 15.999 > 18-------------------------------- super cell --------------------------------Lattice vectors: a 9.771754683278132 0.000000000000000 0.000000000000000 b -4.885877341639066 8.462587795268423 0.000000000000000 c 0.000000000000000 0.000000000000000 10.870693520000000Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.75000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.75000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.75000000000000 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 2 6 Sr 0.50000000000000 0.00000000000000 0.25000000000000 87.620 > 2 7 Sr 0.00000000000000 0.50000000000000 0.25000000000000 87.620 > 2 8 Sr 0.50000000000000 0.50000000000000 0.25000000000000 87.620 > 2 *9 As 0.16666666666667 0.33333333333333 0.00000000000000 74.922 > 3 10 As 0.66666666666667 0.33333333333333 0.00000000000000 74.922 > 3 11 As 0.16666666666667 0.83333333333333 0.00000000000000 74.922 > 3 12 As 0.66666666666667 0.83333333333333 0.00000000000000 74.922 > 3 13 As 0.33333333333333 0.16666666666667 0.00000000000000 74.922 > 4 14 As 0.83333333333333 0.16666666666667 0.00000000000000 74.922 > 4 15 As 0.33333333333333 0.66666666666667 0.00000000000000 74.922 > 4 16 As 0.83333333333333 0.66666666666667 0.00000000000000 74.922 > 4 17 As 0.16666666666667 0.33333333333333 0.50000000000000 74.922 > 5 18 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 > 5 19 As 0.16666666666667 0.83333333333333 0.50000000000000 74.922 > 5 20 As 0.66666666666667 0.83333333333333 0.50000000000000 74.922 > 5 21 As 0.33333333333333 0.16666666666667 0.50000000000000 74.922 > 6 22 As 0.83333333333333 0.16666666666667 0.50000000000000 74.922 > 6 23 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 > 6 24 As 0.83333333333333 0.66666666666667 0.50000000000000 74.922 > 6 *25 O 0.00000000000000 0.19134633167482 0.90369266456072 15.999 > 7 26 O 0.50000000000000 0.19134633167482 0.90369266456072 15.999 > 7 27 O 0.00000000000000 0.69134633167482 0.90369266456072 15.999 > 7 28 O 0.50000000000000 0.69134633167482 0.90369266456072 15.999 > 7 29 O 0.19134633167482 0.00000000000000 0.90369266456072 15.999 > 8 30 O 0.69134633167482 0.00000000000000 0.90369266456072 15.999 > 8 31 O 0.19134633167482 0.50000000000000 0.90369266456072 15.999 > 8 32 O 0.69134633167482 0.50000000000000 0.90369266456072 15.999 > 8 33 O 0.30865366832518 0.30865366832518 0.90369266456072 15.999 > 9 34 O 0.80865366832518 0.30865366832518 0.90369266456072 15.999 > 9 35 O 0.30865366832518 0.80865366832518 0.90369266456072 15.999 > 9 36 O 0.80865366832518 0.80865366832518 0.90369266456072 15.999 > 9 37 O 0.00000000000000 0.19134633167482 0.59630733543928 15.999 > 10 38 O 0.50000000000000 0.19134633167482 0.59630733543928 15.999 > 10 39 O 0.00000000000000 0.69134633167482 0.59630733543928 15.999 > 10 40 O 0.50000000000000 0.69134633167482 0.59630733543928 15.999 > 10 41 O 0.19134633167482 0.00000000000000 0.59630733543928 15.999 > 11 42 O 0.69134633167482 0.00000000000000 0.59630733543928 15.999 > 11 43 O 0.19134633167482 0.50000000000000 0.59630733543928 15.999 > 11 44 O 0.69134633167482 0.50000000000000 0.59630733543928 15.999 > 11 45 O 0.30865366832518 0.30865366832518 0.59630733543928 15.999 > 12 46 O 0.80865366832518 0.30865366832518 0.59630733543928 15.999 > 12 47 O 0.30865366832518 0.80865366832518 0.59630733543928 15.999 > 12 48 O 0.80865366832518 0.80865366832518 0.59630733543928 15.999 > 12 49 O 0.30865366832518 0.00000000000000 0.40369266456073 15.999 > 13 50 O 0.80865366832518 0.00000000000000 0.40369266456073 15.999 > 13 51 O 0.30865366832518 0.50000000000000 0.40369266456073 15.999 > 13 52 O 0.80865366832518 0.50000000000000 0.40369266456073 15.999 > 13 53 O 0.00000000000000 0.30865366832518 0.40369266456073 15.999 > 14 54 O 0.50000000000000 0.30865366832518 0.40369266456073 15.999 > 14 55 O 0.00000000000000 0.80865366832518 0.40369266456073 15.999 > 14 56 O 0.50000000000000 0.80865366832518 0.40369266456073 15.999 > 14 57 O 0.19134633167482 0.19134633167482 0.40369266456073 15.999 > 15 58 O 0.69134633167482 0.19134633167482 0.40369266456073 15.999 > 15 59 O 0.19134633167482 0.69134633167482 0.40369266456073 15.999 > 15 60 O 0.69134633167482 0.69134633167482 0.40369266456073 15.999 > 15 61 O 0.00000000000000 0.30865366832518 0.09630733543927 15.999 > 16 62 O 0.50000000000000 0.30865366832518 0.09630733543927 15.999 > 16 63 O 0.00000000000000 0.80865366832518 0.09630733543927 15.999 > 16 64 O 0.50000000000000 0.80865366832518 0.09630733543927 15.999 > 16 65 O 0.30865366832518 0.00000000000000 0.09630733543927 15.999 > 17 66 O 0.80865366832518 0.00000000000000 0.09630733543927 15.999 > 17 67 O 0.30865366832518 0.50000000000000 0.09630733543927 15.999 > 17 68 O 0.80865366832518 0.50000000000000 0.09630733543927 15.999 > 17 69 O 0.19134633167482 0.19134633167482 0.09630733543927 15.999 > 18 70 O 0.69134633167482 0.19134633167482 0.09630733543927 15.999 > 18 71 O 0.19134633167482 0.69134633167482 0.09630733543927 15.999 > 18 72 O 0.69134633167482 0.69134633167482 0.09630733543927 15.999 > 18----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.6867114 -0.0000000 0.0000000 0.0000000 3.6867114 0.0000000 0.0000000 0.0000000 3.0764156-------------------------- Born effective charges -------------------------- 1 Sr 2.4235947 0.0000000 0.0000000 -0.0000000 2.4235947 0.0000000 0.0000000 0.0000000 3.5384053 2 Sr 2.4235947 0.0000000 0.0000000 -0.0000000 2.4235947 0.0000000 0.0000000 0.0000000 3.5384053 3 As 4.7890745 -0.0000000 0.0000000 0.0000000 4.7890745 0.0000000 0.0000000 0.0000000 2.6708727 4 As 4.7890745 -0.0000000 0.0000000 0.0000000 4.7890745 0.0000000 0.0000000 0.0000000 2.6708727 5 As 4.7890745 -0.0000000 0.0000000 0.0000000 4.7890745 0.0000000 0.0000000 0.0000000 2.6708727 6 As 4.7890745 -0.0000000 0.0000000 0.0000000 4.7890745 0.0000000 0.0000000 0.0000000 2.6708727 7 O -2.2107210 -0.3644761 0.1471879 -0.3644761 -1.7898602 -0.2549370 0.1973241 -0.3417754 -1.4800251 8 O -1.5794299 -0.0000000 -0.2943759 0.0000000 -2.4211513 0.0000000 -0.3946482 0.0000000 -1.4800251 9 O -2.2107210 0.3644761 0.1471879 0.3644761 -1.7898602 0.2549370 0.1973241 0.3417754 -1.4800251 10 O -2.2107210 -0.3644761 -0.1471879 -0.3644761 -1.7898602 0.2549370 -0.1973241 0.3417754 -1.4800251 11 O -1.5794299 -0.0000000 0.2943759 0.0000000 -2.4211513 0.0000000 0.3946482 -0.0000000 -1.4800251 12 O -2.2107210 0.3644761 -0.1471879 0.3644761 -1.7898602 -0.2549370 -0.1973241 -0.3417754 -1.4800251 13 O -1.5794299 -0.0000000 0.2943759 0.0000000 -2.4211513 0.0000000 0.3946482 -0.0000000 -1.4800251 14 O -2.2107210 -0.3644761 -0.1471879 -0.3644761 -1.7898602 0.2549370 -0.1973241 0.3417754 -1.4800251 15 O -2.2107210 0.3644761 -0.1471879 0.3644761 -1.7898602 -0.2549370 -0.1973241 -0.3417754 -1.4800251 16 O -2.2107210 -0.3644761 0.1471879 -0.3644761 -1.7898602 -0.2549370 0.1973241 -0.3417754 -1.4800251 17 O -1.5794299 -0.0000000 -0.2943759 0.0000000 -2.4211513 0.0000000 -0.3946482 0.0000000 -1.4800251 18 O -2.2107210 0.3644761 0.1471879 0.3644761 -1.7898602 0.2549370 0.1973241 0.3417754 -1.4800251----------------------------------------------------------------------------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: 216/216Permutation basis: 6048/6048Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 296Number of blocks in projector: 168Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 140Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 104Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 52Use standard eigh solver.Tree of FC basis block matrices:- (296, 287), data: False|-- (52, 49), data: True|-- (104, 102), data: True|-- (140, 136), data: True-----Solver_atoms: 1 -- 72 / 72Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 160 - Time: 0.149Solver_block: 160 / 160 - Time: 0.100Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.254--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 216/216Permutation basis: 6048/6048Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 296Number of blocks in projector: 168Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 140Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 104Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 52Use standard eigh solver.Tree of FC basis block matrices:- (296, 287), data: False|-- (52, 49), data: True|-- (104, 102), data: True|-- (140, 136), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-09 04:47:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 04:47:09]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mcm (193)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.885877341639066 0.000000000000000 0.000000000000000 b -2.442938670819533 4.231293897634211 0.000000000000000 c 0.000000000000000 0.000000000000000 10.870693520000000Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 2 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 3 As 0.33333333333333 0.66666666666667 0.00000000000000 74.922 4 As 0.66666666666667 0.33333333333333 0.00000000000000 74.922 5 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 6 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 7 O 0.00000000000000 0.38269266334965 0.90369266456072 15.999 8 O 0.38269266334965 0.00000000000000 0.90369266456072 15.999 9 O 0.61730733665035 0.61730733665035 0.90369266456072 15.999 10 O 0.00000000000000 0.38269266334965 0.59630733543928 15.999 11 O 0.38269266334965 0.00000000000000 0.59630733543928 15.999 12 O 0.61730733665035 0.61730733665035 0.59630733543928 15.999 13 O 0.61730733665035 0.00000000000000 0.40369266456073 15.999 14 O 0.00000000000000 0.61730733665035 0.40369266456073 15.999 15 O 0.38269266334965 0.38269266334965 0.40369266456073 15.999 16 O 0.00000000000000 0.61730733665035 0.09630733543927 15.999 17 O 0.61730733665035 0.00000000000000 0.09630733543927 15.999 18 O 0.38269266334965 0.38269266334965 0.09630733543927 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.771754683278132 0.000000000000000 0.000000000000000 b -4.885877341639066 8.462587795268423 0.000000000000000 c 0.000000000000000 0.000000000000000 10.870693520000000Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.75000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.75000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.75000000000000 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 5 6 Sr 0.50000000000000 0.00000000000000 0.25000000000000 87.620 > 5 7 Sr 0.00000000000000 0.50000000000000 0.25000000000000 87.620 > 5 8 Sr 0.50000000000000 0.50000000000000 0.25000000000000 87.620 > 5 9 As 0.16666666666667 0.33333333333333 0.00000000000000 74.922 > 9 10 As 0.66666666666667 0.33333333333333 0.00000000000000 74.922 > 9 11 As 0.16666666666667 0.83333333333333 0.00000000000000 74.922 > 9 12 As 0.66666666666667 0.83333333333333 0.00000000000000 74.922 > 9 13 As 0.33333333333333 0.16666666666667 0.00000000000000 74.922 > 13 14 As 0.83333333333333 0.16666666666667 0.00000000000000 74.922 > 13 15 As 0.33333333333333 0.66666666666667 0.00000000000000 74.922 > 13 16 As 0.83333333333333 0.66666666666667 0.00000000000000 74.922 > 13 17 As 0.16666666666667 0.33333333333333 0.50000000000000 74.922 > 17 18 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 > 17 19 As 0.16666666666667 0.83333333333333 0.50000000000000 74.922 > 17 20 As 0.66666666666667 0.83333333333333 0.50000000000000 74.922 > 17 21 As 0.33333333333333 0.16666666666667 0.50000000000000 74.922 > 21 22 As 0.83333333333333 0.16666666666667 0.50000000000000 74.922 > 21 23 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 > 21 24 As 0.83333333333333 0.66666666666667 0.50000000000000 74.922 > 21 25 O 0.00000000000000 0.19134633167482 0.90369266456072 15.999 > 25 26 O 0.50000000000000 0.19134633167482 0.90369266456072 15.999 > 25 27 O 0.00000000000000 0.69134633167482 0.90369266456072 15.999 > 25 28 O 0.50000000000000 0.69134633167482 0.90369266456072 15.999 > 25 29 O 0.19134633167482 0.00000000000000 0.90369266456072 15.999 > 29 30 O 0.69134633167482 0.00000000000000 0.90369266456072 15.999 > 29 31 O 0.19134633167482 0.50000000000000 0.90369266456072 15.999 > 29 32 O 0.69134633167482 0.50000000000000 0.90369266456072 15.999 > 29 33 O 0.30865366832518 0.30865366832518 0.90369266456072 15.999 > 33 34 O 0.80865366832518 0.30865366832518 0.90369266456072 15.999 > 33 35 O 0.30865366832518 0.80865366832518 0.90369266456072 15.999 > 33 36 O 0.80865366832518 0.80865366832518 0.90369266456072 15.999 > 33 37 O 0.00000000000000 0.19134633167482 0.59630733543928 15.999 > 37 38 O 0.50000000000000 0.19134633167482 0.59630733543928 15.999 > 37 39 O 0.00000000000000 0.69134633167482 0.59630733543928 15.999 > 37 40 O 0.50000000000000 0.69134633167482 0.59630733543928 15.999 > 37 41 O 0.19134633167482 0.00000000000000 0.59630733543928 15.999 > 41 42 O 0.69134633167482 0.00000000000000 0.59630733543928 15.999 > 41 43 O 0.19134633167482 0.50000000000000 0.59630733543928 15.999 > 41 44 O 0.69134633167482 0.50000000000000 0.59630733543928 15.999 > 41 45 O 0.30865366832518 0.30865366832518 0.59630733543928 15.999 > 45 46 O 0.80865366832518 0.30865366832518 0.59630733543928 15.999 > 45 47 O 0.30865366832518 0.80865366832518 0.59630733543928 15.999 > 45 48 O 0.80865366832518 0.80865366832518 0.59630733543928 15.999 > 45 49 O 0.30865366832518 0.00000000000000 0.40369266456073 15.999 > 49 50 O 0.80865366832518 0.00000000000000 0.40369266456073 15.999 > 49 51 O 0.30865366832518 0.50000000000000 0.40369266456073 15.999 > 49 52 O 0.80865366832518 0.50000000000000 0.40369266456073 15.999 > 49 53 O 0.00000000000000 0.30865366832518 0.40369266456073 15.999 > 53 54 O 0.50000000000000 0.30865366832518 0.40369266456073 15.999 > 53 55 O 0.00000000000000 0.80865366832518 0.40369266456073 15.999 > 53 56 O 0.50000000000000 0.80865366832518 0.40369266456073 15.999 > 53 57 O 0.19134633167482 0.19134633167482 0.40369266456073 15.999 > 57 58 O 0.69134633167482 0.19134633167482 0.40369266456073 15.999 > 57 59 O 0.19134633167482 0.69134633167482 0.40369266456073 15.999 > 57 60 O 0.69134633167482 0.69134633167482 0.40369266456073 15.999 > 57 61 O 0.00000000000000 0.30865366832518 0.09630733543927 15.999 > 61 62 O 0.50000000000000 0.30865366832518 0.09630733543927 15.999 > 61 63 O 0.00000000000000 0.80865366832518 0.09630733543927 15.999 > 61 64 O 0.50000000000000 0.80865366832518 0.09630733543927 15.999 > 61 65 O 0.30865366832518 0.00000000000000 0.09630733543927 15.999 > 65 66 O 0.80865366832518 0.00000000000000 0.09630733543927 15.999 > 65 67 O 0.30865366832518 0.50000000000000 0.09630733543927 15.999 > 65 68 O 0.80865366832518 0.50000000000000 0.09630733543927 15.999 > 65 69 O 0.19134633167482 0.19134633167482 0.09630733543927 15.999 > 69 70 O 0.69134633167482 0.19134633167482 0.09630733543927 15.999 > 69 71 O 0.19134633167482 0.69134633167482 0.09630733543927 15.999 > 69 72 O 0.69134633167482 0.69134633167482 0.09630733543927 15.999 > 69----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.6867114 -0.0000000 0.0000000 0.0000000 3.6867114 0.0000000 0.0000000 0.0000000 3.0764156-------------------------- Born effective charges -------------------------- 1 Sr 2.4235947 0.0000000 0.0000000 -0.0000000 2.4235947 0.0000000 0.0000000 0.0000000 3.5384053 2 Sr 2.4235947 0.0000000 0.0000000 -0.0000000 2.4235947 0.0000000 0.0000000 0.0000000 3.5384053 3 As 4.7890745 -0.0000000 0.0000000 0.0000000 4.7890745 0.0000000 0.0000000 0.0000000 2.6708727 4 As 4.7890745 -0.0000000 0.0000000 0.0000000 4.7890745 0.0000000 0.0000000 0.0000000 2.6708727 5 As 4.7890745 -0.0000000 0.0000000 0.0000000 4.7890745 0.0000000 0.0000000 0.0000000 2.6708727 6 As 4.7890745 -0.0000000 0.0000000 0.0000000 4.7890745 0.0000000 0.0000000 0.0000000 2.6708727 7 O -2.2107210 -0.3644761 0.1471879 -0.3644761 -1.7898602 -0.2549370 0.1973241 -0.3417754 -1.4800251 8 O -1.5794299 -0.0000000 -0.2943759 0.0000000 -2.4211513 0.0000000 -0.3946482 0.0000000 -1.4800251 9 O -2.2107210 0.3644761 0.1471879 0.3644761 -1.7898602 0.2549370 0.1973241 0.3417754 -1.4800251 10 O -2.2107210 -0.3644761 -0.1471879 -0.3644761 -1.7898602 0.2549370 -0.1973241 0.3417754 -1.4800251 11 O -1.5794299 -0.0000000 0.2943759 0.0000000 -2.4211513 0.0000000 0.3946482 -0.0000000 -1.4800251 12 O -2.2107210 0.3644761 -0.1471879 0.3644761 -1.7898602 -0.2549370 -0.1973241 -0.3417754 -1.4800251 13 O -1.5794299 -0.0000000 0.2943759 0.0000000 -2.4211513 0.0000000 0.3946482 -0.0000000 -1.4800251 14 O -2.2107210 -0.3644761 -0.1471879 -0.3644761 -1.7898602 0.2549370 -0.1973241 0.3417754 -1.4800251 15 O -2.2107210 0.3644761 -0.1471879 0.3644761 -1.7898602 -0.2549370 -0.1973241 -0.3417754 -1.4800251 16 O -2.2107210 -0.3644761 0.1471879 -0.3644761 -1.7898602 -0.2549370 0.1973241 -0.3417754 -1.4800251 17 O -1.5794299 -0.0000000 -0.2943759 0.0000000 -2.4211513 0.0000000 -0.3946482 0.0000000 -1.4800251 18 O -2.2107210 0.3644761 0.1471879 0.3644761 -1.7898602 0.2549370 0.1973241 0.3417754 -1.4800251----------------------------------------------------------------------------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[ 9, 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[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000076 (xxx) 0.00000076 (xxx) 0.00000076 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000008 (xz) 0.00000008 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 04:47:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 04:47:14]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mcm (193)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.885877341639066 0.000000000000000 0.000000000000000 b -2.442938670819533 4.231293897634211 0.000000000000000 c 0.000000000000000 0.000000000000000 10.870693520000000Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 2 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 3 As 0.33333333333333 0.66666666666667 0.00000000000000 74.922 4 As 0.66666666666667 0.33333333333333 0.00000000000000 74.922 5 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 6 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 7 O 0.00000000000000 0.38269266334965 0.90369266456072 15.999 8 O 0.38269266334965 0.00000000000000 0.90369266456072 15.999 9 O 0.61730733665035 0.61730733665035 0.90369266456072 15.999 10 O 0.00000000000000 0.38269266334965 0.59630733543928 15.999 11 O 0.38269266334965 0.00000000000000 0.59630733543928 15.999 12 O 0.61730733665035 0.61730733665035 0.59630733543928 15.999 13 O 0.61730733665035 0.00000000000000 0.40369266456073 15.999 14 O 0.00000000000000 0.61730733665035 0.40369266456073 15.999 15 O 0.38269266334965 0.38269266334965 0.40369266456073 15.999 16 O 0.00000000000000 0.61730733665035 0.09630733543927 15.999 17 O 0.61730733665035 0.00000000000000 0.09630733543927 15.999 18 O 0.38269266334965 0.38269266334965 0.09630733543927 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 9.771754683278132 0.000000000000000 0.000000000000000 b -4.885877341639066 8.462587795268423 0.000000000000000 c 0.000000000000000 0.000000000000000 10.870693520000000Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.75000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.75000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.75000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.75000000000000 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.25000000000000 87.620 > 5 6 Sr 0.50000000000000 0.00000000000000 0.25000000000000 87.620 > 5 7 Sr 0.00000000000000 0.50000000000000 0.25000000000000 87.620 > 5 8 Sr 0.50000000000000 0.50000000000000 0.25000000000000 87.620 > 5 9 As 0.16666666666667 0.33333333333333 0.00000000000000 74.922 > 9 10 As 0.66666666666667 0.33333333333333 0.00000000000000 74.922 > 9 11 As 0.16666666666667 0.83333333333333 0.00000000000000 74.922 > 9 12 As 0.66666666666667 0.83333333333333 0.00000000000000 74.922 > 9 13 As 0.33333333333333 0.16666666666667 0.00000000000000 74.922 > 13 14 As 0.83333333333333 0.16666666666667 0.00000000000000 74.922 > 13 15 As 0.33333333333333 0.66666666666667 0.00000000000000 74.922 > 13 16 As 0.83333333333333 0.66666666666667 0.00000000000000 74.922 > 13 17 As 0.16666666666667 0.33333333333333 0.50000000000000 74.922 > 17 18 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 > 17 19 As 0.16666666666667 0.83333333333333 0.50000000000000 74.922 > 17 20 As 0.66666666666667 0.83333333333333 0.50000000000000 74.922 > 17 21 As 0.33333333333333 0.16666666666667 0.50000000000000 74.922 > 21 22 As 0.83333333333333 0.16666666666667 0.50000000000000 74.922 > 21 23 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 > 21 24 As 0.83333333333333 0.66666666666667 0.50000000000000 74.922 > 21 25 O 0.00000000000000 0.19134633167482 0.90369266456072 15.999 > 25 26 O 0.50000000000000 0.19134633167482 0.90369266456072 15.999 > 25 27 O 0.00000000000000 0.69134633167482 0.90369266456072 15.999 > 25 28 O 0.50000000000000 0.69134633167482 0.90369266456072 15.999 > 25 29 O 0.19134633167482 0.00000000000000 0.90369266456072 15.999 > 29 30 O 0.69134633167482 0.00000000000000 0.90369266456072 15.999 > 29 31 O 0.19134633167482 0.50000000000000 0.90369266456072 15.999 > 29 32 O 0.69134633167482 0.50000000000000 0.90369266456072 15.999 > 29 33 O 0.30865366832518 0.30865366832518 0.90369266456072 15.999 > 33 34 O 0.80865366832518 0.30865366832518 0.90369266456072 15.999 > 33 35 O 0.30865366832518 0.80865366832518 0.90369266456072 15.999 > 33 36 O 0.80865366832518 0.80865366832518 0.90369266456072 15.999 > 33 37 O 0.00000000000000 0.19134633167482 0.59630733543928 15.999 > 37 38 O 0.50000000000000 0.19134633167482 0.59630733543928 15.999 > 37 39 O 0.00000000000000 0.69134633167482 0.59630733543928 15.999 > 37 40 O 0.50000000000000 0.69134633167482 0.59630733543928 15.999 > 37 41 O 0.19134633167482 0.00000000000000 0.59630733543928 15.999 > 41 42 O 0.69134633167482 0.00000000000000 0.59630733543928 15.999 > 41 43 O 0.19134633167482 0.50000000000000 0.59630733543928 15.999 > 41 44 O 0.69134633167482 0.50000000000000 0.59630733543928 15.999 > 41 45 O 0.30865366832518 0.30865366832518 0.59630733543928 15.999 > 45 46 O 0.80865366832518 0.30865366832518 0.59630733543928 15.999 > 45 47 O 0.30865366832518 0.80865366832518 0.59630733543928 15.999 > 45 48 O 0.80865366832518 0.80865366832518 0.59630733543928 15.999 > 45 49 O 0.30865366832518 0.00000000000000 0.40369266456073 15.999 > 49 50 O 0.80865366832518 0.00000000000000 0.40369266456073 15.999 > 49 51 O 0.30865366832518 0.50000000000000 0.40369266456073 15.999 > 49 52 O 0.80865366832518 0.50000000000000 0.40369266456073 15.999 > 49 53 O 0.00000000000000 0.30865366832518 0.40369266456073 15.999 > 53 54 O 0.50000000000000 0.30865366832518 0.40369266456073 15.999 > 53 55 O 0.00000000000000 0.80865366832518 0.40369266456073 15.999 > 53 56 O 0.50000000000000 0.80865366832518 0.40369266456073 15.999 > 53 57 O 0.19134633167482 0.19134633167482 0.40369266456073 15.999 > 57 58 O 0.69134633167482 0.19134633167482 0.40369266456073 15.999 > 57 59 O 0.19134633167482 0.69134633167482 0.40369266456073 15.999 > 57 60 O 0.69134633167482 0.69134633167482 0.40369266456073 15.999 > 57 61 O 0.00000000000000 0.30865366832518 0.09630733543927 15.999 > 61 62 O 0.50000000000000 0.30865366832518 0.09630733543927 15.999 > 61 63 O 0.00000000000000 0.80865366832518 0.09630733543927 15.999 > 61 64 O 0.50000000000000 0.80865366832518 0.09630733543927 15.999 > 61 65 O 0.30865366832518 0.00000000000000 0.09630733543927 15.999 > 65 66 O 0.80865366832518 0.00000000000000 0.09630733543927 15.999 > 65 67 O 0.30865366832518 0.50000000000000 0.09630733543927 15.999 > 65 68 O 0.80865366832518 0.50000000000000 0.09630733543927 15.999 > 65 69 O 0.19134633167482 0.19134633167482 0.09630733543927 15.999 > 69 70 O 0.69134633167482 0.19134633167482 0.09630733543927 15.999 > 69 71 O 0.19134633167482 0.69134633167482 0.09630733543927 15.999 > 69 72 O 0.69134633167482 0.69134633167482 0.09630733543927 15.999 > 69----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.6867114 -0.0000000 0.0000000 0.0000000 3.6867114 0.0000000 0.0000000 0.0000000 3.0764156-------------------------- Born effective charges -------------------------- 1 Sr 2.4235947 0.0000000 0.0000000 -0.0000000 2.4235947 0.0000000 0.0000000 0.0000000 3.5384053 2 Sr 2.4235947 0.0000000 0.0000000 -0.0000000 2.4235947 0.0000000 0.0000000 0.0000000 3.5384053 3 As 4.7890745 -0.0000000 0.0000000 0.0000000 4.7890745 0.0000000 0.0000000 0.0000000 2.6708727 4 As 4.7890745 -0.0000000 0.0000000 0.0000000 4.7890745 0.0000000 0.0000000 0.0000000 2.6708727 5 As 4.7890745 -0.0000000 0.0000000 0.0000000 4.7890745 0.0000000 0.0000000 0.0000000 2.6708727 6 As 4.7890745 -0.0000000 0.0000000 0.0000000 4.7890745 0.0000000 0.0000000 0.0000000 2.6708727 7 O -2.2107210 -0.3644761 0.1471879 -0.3644761 -1.7898602 -0.2549370 0.1973241 -0.3417754 -1.4800251 8 O -1.5794299 -0.0000000 -0.2943759 0.0000000 -2.4211513 0.0000000 -0.3946482 0.0000000 -1.4800251 9 O -2.2107210 0.3644761 0.1471879 0.3644761 -1.7898602 0.2549370 0.1973241 0.3417754 -1.4800251 10 O -2.2107210 -0.3644761 -0.1471879 -0.3644761 -1.7898602 0.2549370 -0.1973241 0.3417754 -1.4800251 11 O -1.5794299 -0.0000000 0.2943759 0.0000000 -2.4211513 0.0000000 0.3946482 -0.0000000 -1.4800251 12 O -2.2107210 0.3644761 -0.1471879 0.3644761 -1.7898602 -0.2549370 -0.1973241 -0.3417754 -1.4800251 13 O -1.5794299 -0.0000000 0.2943759 0.0000000 -2.4211513 0.0000000 0.3946482 -0.0000000 -1.4800251 14 O -2.2107210 -0.3644761 -0.1471879 -0.3644761 -1.7898602 0.2549370 -0.1973241 0.3417754 -1.4800251 15 O -2.2107210 0.3644761 -0.1471879 0.3644761 -1.7898602 -0.2549370 -0.1973241 -0.3417754 -1.4800251 16 O -2.2107210 -0.3644761 0.1471879 -0.3644761 -1.7898602 -0.2549370 0.1973241 -0.3417754 -1.4800251 17 O -1.5794299 -0.0000000 -0.2943759 0.0000000 -2.4211513 0.0000000 -0.3946482 0.0000000 -1.4800251 18 O -2.2107210 0.3644761 0.1471879 0.3644761 -1.7898602 0.2549370 0.1973241 0.3417754 -1.4800251----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000076 (xxx) 0.00000076 (xxx) 0.00000076 (xxx)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 12 12 5 ]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: 0.68, Number of G-points: 285, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/57) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57Calculating 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 1.988 ( 0.000 0.000 0.000) 0.000 1.988 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.165 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 6.066 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.497 ( 0.000 0.000 0.000) 0.000 10.005 ( 0.000 0.000 0.000) 0.000 10.005 ( 0.000 0.000 0.000) 0.000 10.056 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.269 ( 0.000 0.000 0.000) 0.000 11.793 ( 0.000 0.000 0.000) 0.000 11.793 ( 0.000 0.000 0.000) 0.000 11.861 ( 0.000 0.000 0.000) 0.000 11.861 ( 0.000 0.000 0.000) 0.000 14.429 ( 0.000 0.000 0.000) 0.000 14.429 ( 0.000 0.000 0.000) 0.000 14.668 ( 0.000 0.000 0.000) 0.000 14.668 ( 0.000 0.000 0.000) 0.000 14.989 ( 0.000 0.000 0.000) 0.000 14.989 ( 0.000 0.000 0.000) 0.000 15.291 ( 0.000 0.000 0.000) 0.000 15.291 ( 0.000 0.000 0.000) 0.000 17.173 ( 0.000 0.000 0.000) 0.000 17.173 ( 0.000 0.000 0.000) 0.000 17.231 ( 0.000 0.000 0.000) 0.000 17.231 ( 0.000 0.000 0.000) 0.000 18.277 ( 0.000 0.000 0.000) 0.000 18.360 ( 0.000 0.000 0.000) 0.000 19.381 ( 0.000 0.000 0.000) 0.000 19.920 ( 0.000 0.000 0.000) 0.000 19.967 ( 0.000 0.000 0.000) 0.000 21.421 ( 0.000 0.000 0.000) 0.000 21.449 ( 0.000 0.000 0.000) 0.000 21.570 ( 0.000 0.000 0.000) 0.000 21.570 ( 0.000 0.000 0.000) 0.000 21.641 ( 0.000 0.000 0.000) 0.000 21.641 ( 0.000 0.000 0.000) 0.000 22.515 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/57) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.511 ( 23.254 13.426 0.000) 26.852 0.693 ( 30.061 17.356 0.000) 34.711 1.430 ( 61.443 35.474 0.000) 70.948 2.078 ( 7.676 4.432 0.000) 8.864 2.448 ( 35.083 20.255 0.000) 40.511 3.301 ( -13.976 -8.069 0.000) 16.138 3.527 ( 1.515 0.875 0.000) 1.750 3.690 ( 5.301 3.061 0.000) 6.121 4.117 ( -3.804 -2.196 0.000) 4.393 4.526 ( 0.554 0.320 0.000) 0.639 4.789 ( -3.957 -2.284 0.000) 4.569 5.824 ( -18.150 -10.479 0.000) 20.958 6.058 ( -0.901 -0.520 0.000) 1.041 6.142 ( 0.763 0.440 0.000) 0.881 7.145 ( 2.141 1.236 0.000) 2.472 7.157 ( 2.499 1.443 0.000) 2.886 7.358 ( 2.115 1.221 0.000) 2.442 7.403 ( 5.239 3.025 0.000) 6.050 9.372 ( -3.399 -1.962 0.000) 3.925 9.434 ( -5.330 -3.077 0.000) 6.155 9.884 ( -6.338 -3.659 0.000) 7.318 9.993 ( -0.946 -0.546 0.000) 1.093 10.151 ( -1.595 -0.921 0.000) 1.842 10.197 ( -6.248 -3.607 0.000) 7.215 10.492 ( 26.653 15.388 0.000) 30.776 11.601 ( -13.442 -7.760 0.000) 15.521 11.734 ( -3.906 -2.255 0.000) 4.510 11.842 ( 4.116 2.376 0.000) 4.753 11.914 ( 4.489 2.592 0.000) 5.184 12.091 ( 8.772 5.065 0.000) 10.130 14.395 ( -2.234 -1.290 0.000) 2.579 14.503 ( 5.941 3.430 0.000) 6.860 14.643 ( -2.032 -1.173 0.000) 2.346 14.762 ( 7.655 4.420 0.000) 8.840 15.005 ( 1.864 1.076 0.000) 2.152 15.280 ( -0.643 -0.371 0.000) 0.743 15.284 ( 24.967 14.415 0.000) 28.830 17.163 ( -0.640 -0.369 0.000) 0.739 17.209 ( 3.119 1.801 0.000) 3.602 17.253 ( 1.954 1.128 0.000) 2.256 17.280 ( 5.640 3.256 0.000) 6.512 18.278 ( -0.026 -0.015 0.000) 0.031 18.355 ( -0.527 -0.304 0.000) 0.609 19.319 ( -5.419 -3.129 0.000) 6.257 19.945 ( 2.128 1.229 0.000) 2.458 19.985 ( 1.389 0.802 0.000) 1.604 20.808 ( -4.056 -2.342 0.000) 4.683 21.419 ( -0.157 -0.090 0.000) 0.181 21.439 ( -0.837 -0.483 0.000) 0.966 21.537 ( -9.721 -5.613 0.000) 11.225 21.558 ( -1.032 -0.596 0.000) 1.192 21.569 ( -0.106 -0.061 0.000) 0.122 21.647 ( 0.366 0.212 0.000) 0.423 22.412 ( -7.974 -4.604 0.000) 9.207======================= Grid point 2 (3/57) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.069 ( 25.816 14.905 0.000) 29.810 1.351 ( 27.214 15.712 0.000) 31.424 2.315 ( 12.551 7.246 0.000) 14.492 2.730 ( 49.884 28.801 0.000) 57.601 2.949 ( -15.390 -8.885 0.000) 17.770 3.324 ( 37.302 21.537 0.000) 43.073 3.587 ( 4.319 2.494 0.000) 4.987 3.767 ( -0.892 -0.515 0.000) 1.030 4.053 ( 0.671 0.388 0.000) 0.775 4.588 ( 6.942 4.008 0.000) 8.016 4.689 ( -4.156 -2.399 0.000) 4.799 5.482 ( -7.966 -4.599 0.000) 9.199 6.007 ( -4.084 -2.358 0.000) 4.715 6.152 ( -0.290 -0.168 0.000) 0.335 7.223 ( 3.158 1.823 0.000) 3.647 7.229 ( 5.223 3.015 0.000) 6.030 7.432 ( 4.534 2.618 0.000) 5.235 7.526 ( 4.843 2.796 0.000) 5.593 9.273 ( -8.319 -4.803 0.000) 9.606 9.274 ( -4.801 -2.772 0.000) 5.543 9.689 ( -10.923 -6.306 0.000) 12.613 9.965 ( -1.566 -0.904 0.000) 1.808 9.992 ( -11.605 -6.700 0.000) 13.400 10.104 ( -2.475 -1.429 0.000) 2.858 10.875 ( 0.443 0.256 0.000) 0.512 11.250 ( -17.683 -10.209 0.000) 20.418 11.765 ( 10.151 5.861 0.000) 11.722 11.964 ( 6.203 3.582 0.000) 7.163 12.055 ( 7.641 4.412 0.000) 8.824 12.277 ( 7.635 4.408 0.000) 8.816 14.350 ( -1.542 -0.890 0.000) 1.780 14.584 ( -2.938 -1.696 0.000) 3.392 14.639 ( 4.159 2.401 0.000) 4.803 14.931 ( 3.877 2.239 0.000) 4.477 15.118 ( 9.380 5.416 0.000) 10.831 15.325 ( 7.406 4.276 0.000) 8.551 16.052 ( 40.118 23.162 0.000) 46.325 17.157 ( 0.436 0.252 0.000) 0.503 17.312 ( 6.021 3.476 0.000) 6.952 17.324 ( 4.386 2.532 0.000) 5.064 17.462 ( 10.164 5.868 0.000) 11.737 18.265 ( -1.441 -0.832 0.000) 1.663 18.332 ( -1.551 -0.896 0.000) 1.791 19.143 ( -9.763 -5.637 0.000) 11.273 20.006 ( 2.861 1.652 0.000) 3.304 20.016 ( 0.841 0.486 0.000) 0.971 20.695 ( -5.305 -3.063 0.000) 6.126 21.177 ( -21.767 -12.567 0.000) 25.134 21.412 ( -1.536 -0.887 0.000) 1.774 21.412 ( -0.471 -0.272 0.000) 0.544 21.525 ( -1.834 -1.059 0.000) 2.118 21.565 ( -0.237 -0.137 0.000) 0.274 21.650 ( -0.206 -0.119 0.000) 0.238 22.223 ( -7.459 -4.306 0.000) 8.613======================= Grid point 3 (4/57) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.664 ( 25.567 14.761 0.000) 29.523 1.899 ( 20.205 11.666 0.000) 23.331 2.627 ( 14.845 8.571 0.000) 17.141 2.665 ( -8.588 -4.958 0.000) 9.916 3.446 ( 11.729 6.772 0.000) 13.544 3.636 ( -8.757 -5.056 0.000) 10.112 3.775 ( 9.996 5.771 0.000) 11.542 3.971 ( 17.506 10.107 0.000) 20.214 4.174 ( 8.584 4.956 0.000) 9.912 4.627 ( -0.976 -0.564 0.000) 1.127 5.031 ( 35.443 20.463 0.000) 40.926 5.600 ( 19.434 11.220 0.000) 22.441 5.848 ( -10.389 -5.998 0.000) 11.996 6.108 ( -3.985 -2.301 0.000) 4.601 7.301 ( 3.736 2.157 0.000) 4.314 7.381 ( 8.124 4.690 0.000) 9.381 7.566 ( 7.231 4.175 0.000) 8.350 7.613 ( 3.029 1.749 0.000) 3.498 9.084 ( -7.614 -4.396 0.000) 8.791 9.175 ( -3.469 -2.003 0.000) 4.006 9.393 ( -14.853 -8.575 0.000) 17.151 9.682 ( -15.245 -8.802 0.000) 17.603 9.913 ( -3.233 -1.866 0.000) 3.733 10.037 ( -3.482 -2.010 0.000) 4.021 10.596 ( -20.430 -11.795 0.000) 23.591 10.786 ( -23.218 -13.405 0.000) 26.809 12.082 ( 14.000 8.083 0.000) 16.166 12.108 ( 6.247 3.607 0.000) 7.213 12.249 ( 9.121 5.266 0.000) 10.532 12.440 ( 6.691 3.863 0.000) 7.726 14.328 ( -0.485 -0.280 0.000) 0.560 14.519 ( -2.661 -1.536 0.000) 3.073 14.662 ( -1.467 -0.847 0.000) 1.694 14.892 ( -5.490 -3.170 0.000) 6.339 15.439 ( 17.744 10.245 0.000) 20.489 15.638 ( 17.775 10.263 0.000) 20.525 16.935 ( 31.557 18.219 0.000) 36.439 17.195 ( 3.070 1.772 0.000) 3.545 17.449 ( 6.375 3.680 0.000) 7.361 17.531 ( 16.617 9.594 0.000) 19.187 17.729 ( 12.940 7.471 0.000) 14.942 18.202 ( -4.281 -2.472 0.000) 4.944 18.285 ( -2.333 -1.347 0.000) 2.694 18.889 ( -12.189 -7.037 0.000) 14.075 19.994 ( -3.344 -1.931 0.000) 3.861 20.059 ( 1.519 0.877 0.000) 1.754 20.589 ( -28.634 -16.532 0.000) 33.064 20.598 ( -2.533 -1.462 0.000) 2.925 21.373 ( -1.731 -0.999 0.000) 1.999 21.400 ( -0.556 -0.321 0.000) 0.642 21.476 ( -2.425 -1.400 0.000) 2.800 21.558 ( -0.343 -0.198 0.000) 0.396 21.633 ( -1.356 -0.783 0.000) 1.566 22.087 ( -4.628 -2.672 0.000) 5.344======================= Grid point 4 (5/57) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.158 ( 16.106 9.299 0.000) 18.597 2.232 ( 8.459 4.884 0.000) 9.767 2.584 ( 1.747 1.009 0.000) 2.017 3.023 ( 21.069 12.164 0.000) 24.328 3.417 ( -10.142 -5.855 0.000) 11.711 3.579 ( 3.436 1.984 0.000) 3.967 3.866 ( -0.660 -0.381 0.000) 0.762 4.187 ( 4.456 2.573 0.000) 5.146 4.422 ( 13.283 7.669 0.000) 15.338 4.645 ( 2.188 1.263 0.000) 2.526 5.529 ( -17.454 -10.077 0.000) 20.154 5.958 ( -9.297 -5.367 0.000) 10.735 6.051 ( 49.250 28.435 0.000) 56.869 6.253 ( 34.017 19.640 0.000) 39.280 7.392 ( 4.133 2.386 0.000) 4.773 7.593 ( 10.218 5.899 0.000) 11.799 7.674 ( 2.467 1.424 0.000) 2.848 7.759 ( 9.549 5.513 0.000) 11.026 8.951 ( -3.700 -2.136 0.000) 4.273 9.032 ( -16.239 -9.376 0.000) 18.751 9.130 ( -0.398 -0.230 0.000) 0.459 9.315 ( -16.668 -9.623 0.000) 19.247 9.811 ( -5.690 -3.285 0.000) 6.570 9.944 ( -4.622 -2.668 0.000) 5.337 10.051 ( -26.377 -15.229 0.000) 30.457 10.192 ( -28.911 -16.692 0.000) 33.383 12.238 ( 5.029 2.904 0.000) 5.807 12.347 ( 9.291 5.364 0.000) 10.728 12.455 ( 8.643 4.990 0.000) 9.980 12.578 ( 5.321 3.072 0.000) 6.144 14.323 ( -0.037 -0.022 0.000) 0.043 14.467 ( -1.841 -1.063 0.000) 2.126 14.603 ( -3.217 -1.857 0.000) 3.715 14.741 ( -7.035 -4.061 0.000) 8.123 15.870 ( 19.141 11.051 0.000) 22.102 16.057 ( 18.020 10.404 0.000) 20.808 17.296 ( 5.550 3.204 0.000) 6.408 17.326 ( 7.581 4.377 0.000) 8.753 17.589 ( 4.890 2.823 0.000) 5.647 18.034 ( 13.389 7.730 0.000) 15.460 18.069 ( -7.103 -4.101 0.000) 8.202 18.145 ( 31.397 18.127 0.000) 36.254 18.254 ( 0.686 0.396 0.000) 0.792 18.607 ( -12.239 -7.066 0.000) 14.132 19.861 ( -7.859 -4.538 0.000) 9.075 19.926 ( -28.814 -16.636 0.000) 33.271 20.061 ( -1.533 -0.885 0.000) 1.770 20.585 ( 0.944 0.545 0.000) 1.091 21.337 ( -1.442 -0.832 0.000) 1.665 21.389 ( -0.404 -0.233 0.000) 0.467 21.418 ( -2.479 -1.431 0.000) 2.862 21.550 ( -0.345 -0.199 0.000) 0.398 21.592 ( -2.085 -1.204 0.000) 2.407 22.004 ( -2.804 -1.619 0.000) 3.237======================= Grid point 5 (6/57) =======================q-point: ( 0.42 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.313 ( 0.331 0.191 0.000) 0.382 2.385 ( 4.981 2.876 0.000) 5.751 2.716 ( 8.594 4.962 0.000) 9.923 3.180 ( -10.594 -6.116 0.000) 12.233 3.574 ( 25.543 14.747 0.000) 29.494 3.645 ( 2.509 1.449 0.000) 2.897 3.816 ( -2.869 -1.657 0.000) 3.313 4.250 ( 1.664 0.961 0.000) 1.922 4.692 ( 0.719 0.415 0.000) 0.830 4.765 ( 15.970 9.220 0.000) 18.441 5.085 ( -19.812 -11.439 0.000) 22.877 5.696 ( -13.091 -7.558 0.000) 15.116 7.017 ( 31.342 18.095 0.000) 36.191 7.143 ( 44.875 25.908 0.000) 51.817 7.475 ( 2.822 1.629 0.000) 3.258 7.724 ( 1.706 0.985 0.000) 1.970 7.793 ( 4.442 2.565 0.000) 5.130 7.977 ( 8.414 4.858 0.000) 9.715 8.721 ( -8.106 -4.680 0.000) 9.360 8.917 ( 0.314 0.181 0.000) 0.362 8.945 ( -15.341 -8.857 0.000) 17.715 9.149 ( 1.592 0.919 0.000) 1.839 9.440 ( -26.221 -15.139 0.000) 30.278 9.501 ( -30.159 -17.412 0.000) 34.825 9.672 ( -5.761 -3.326 0.000) 6.652 9.839 ( -4.063 -2.346 0.000) 4.692 12.330 ( 2.875 1.660 0.000) 3.320 12.507 ( 4.727 2.729 0.000) 5.459 12.622 ( 5.568 3.215 0.000) 6.429 12.675 ( 3.049 1.761 0.000) 3.521 14.322 ( -0.023 -0.013 0.000) 0.027 14.436 ( -0.927 -0.535 0.000) 1.071 14.535 ( -2.381 -1.374 0.000) 2.749 14.599 ( -4.876 -2.815 0.000) 5.631 16.260 ( 13.867 8.006 0.000) 16.012 16.415 ( 12.462 7.195 0.000) 14.390 17.424 ( 4.894 2.826 0.000) 5.651 17.433 ( 2.745 1.585 0.000) 3.169 17.630 ( -1.099 -0.634 0.000) 1.268 17.907 ( -6.022 -3.477 0.000) 6.954 18.309 ( 9.909 5.721 0.000) 11.442 18.354 ( -9.334 -5.389 0.000) 10.778 18.373 ( 10.174 5.874 0.000) 11.747 18.763 ( 21.123 12.195 0.000) 24.390 19.311 ( -24.513 -14.153 0.000) 28.305 19.675 ( -7.397 -4.271 0.000) 8.542 19.992 ( -4.165 -2.405 0.000) 4.810 20.617 ( 1.422 0.821 0.000) 1.643 21.308 ( -1.019 -0.588 0.000) 1.177 21.372 ( -1.439 -0.831 0.000) 1.662 21.382 ( -0.192 -0.111 0.000) 0.222 21.543 ( -0.215 -0.124 0.000) 0.248 21.547 ( -1.620 -0.935 0.000) 1.871 21.957 ( -1.368 -0.790 0.000) 1.579======================= Grid point 6 (7/57) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.308 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.941 ( -0.000 -0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.771 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.475 ( -0.000 -0.000 0.000) 0.000 7.509 ( 0.000 0.000 0.000) 0.000 7.559 ( 0.000 0.000 0.000) 0.000 7.679 ( -0.000 -0.000 0.000) 0.000 7.744 ( 0.000 0.000 0.000) 0.000 7.945 ( 0.000 0.000 0.000) 0.000 7.947 ( -0.000 -0.000 0.000) 0.000 8.703 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.930 ( 0.000 0.000 0.000) 0.000 9.010 ( -0.000 -0.000 0.000) 0.000 9.060 ( -0.000 -0.000 0.000) 0.000 9.173 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 9.787 ( 0.000 0.000 0.000) 0.000 12.364 ( 0.000 0.000 0.000) 0.000 12.561 ( 0.000 0.000 0.000) 0.000 12.688 ( 0.000 0.000 0.000) 0.000 12.711 ( 0.000 0.000 0.000) 0.000 14.322 ( 0.000 0.000 0.000) 0.000 14.425 ( 0.000 0.000 0.000) 0.000 14.507 ( 0.000 0.000 0.000) 0.000 14.541 ( 0.000 0.000 0.000) 0.000 16.433 ( 0.000 0.000 0.000) 0.000 16.569 ( 0.000 0.000 0.000) 0.000 17.463 ( 0.000 0.000 0.000) 0.000 17.481 ( 0.000 0.000 0.000) 0.000 17.601 ( 0.000 0.000 0.000) 0.000 17.840 ( 0.000 0.000 0.000) 0.000 18.233 ( 0.000 0.000 0.000) 0.000 18.433 ( 0.000 0.000 0.000) 0.000 18.604 ( -0.000 -0.000 0.000) 0.000 18.922 ( 0.000 0.000 0.000) 0.000 19.024 ( 0.000 0.000 0.000) 0.000 19.579 ( 0.000 0.000 0.000) 0.000 19.926 ( 0.000 0.000 0.000) 0.000 20.635 ( 0.000 0.000 0.000) 0.000 21.295 ( 0.000 0.000 0.000) 0.000 21.356 ( 0.000 0.000 0.000) 0.000 21.380 ( 0.000 0.000 0.000) 0.000 21.527 ( 0.000 0.000 0.000) 0.000 21.541 ( 0.000 0.000 0.000) 0.000 21.942 ( 0.000 0.000 0.000) 0.000======================= Grid point 14 (8/57) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.914 ( 14.573 25.241 0.000) 29.146 1.219 ( 18.098 31.346 0.000) 36.195 2.268 ( 8.207 14.215 0.000) 16.414 2.393 ( 30.927 53.566 0.000) 61.853 3.070 ( 21.767 37.701 0.000) 43.534 3.072 ( -8.259 -14.306 0.000) 16.519 3.489 ( -0.821 -1.422 0.000) 1.642 3.836 ( 4.965 8.600 0.000) 9.930 4.031 ( -3.202 -5.546 0.000) 6.404 4.555 ( 2.186 3.787 0.000) 4.373 4.716 ( -2.578 -4.465 0.000) 5.155 5.546 ( -7.527 -13.037 0.000) 15.054 6.030 ( -1.548 -2.681 0.000) 3.096 6.152 ( 0.181 0.314 0.000) 0.362 7.180 ( 1.976 3.423 0.000) 3.952 7.220 ( 2.051 3.552 0.000) 4.101 7.397 ( 2.106 3.648 0.000) 4.213 7.506 ( 3.202 5.546 0.000) 6.404 9.308 ( -2.435 -4.218 0.000) 4.871 9.328 ( -4.198 -7.270 0.000) 8.395 9.758 ( -5.236 -9.069 0.000) 10.472 9.949 ( -2.140 -3.707 0.000) 4.281 10.061 ( -5.771 -9.995 0.000) 11.541 10.093 ( -2.735 -4.737 0.000) 5.469 10.906 ( 11.267 19.515 0.000) 22.534 11.559 ( -3.158 -5.470 0.000) 6.317 11.595 ( -5.225 -9.050 0.000) 10.450 11.717 ( -3.769 -6.529 0.000) 7.539 12.000 ( 7.104 12.305 0.000) 14.208 12.339 ( 7.175 12.427 0.000) 14.349 14.320 ( -2.574 -4.458 0.000) 5.147 14.558 ( -2.997 -5.192 0.000) 5.995 14.697 ( 7.960 13.787 0.000) 15.920 14.987 ( 8.638 14.961 0.000) 17.276 15.010 ( 0.377 0.653 0.000) 0.754 15.245 ( -1.331 -2.305 0.000) 2.661 15.827 ( 22.143 38.354 0.000) 44.287 17.145 ( -0.625 -1.083 0.000) 1.250 17.288 ( 3.465 6.001 0.000) 6.929 17.291 ( 1.664 2.882 0.000) 3.328 17.411 ( 5.642 9.773 0.000) 11.285 18.272 ( -0.517 -0.895 0.000) 1.034 18.340 ( -0.724 -1.255 0.000) 1.449 19.199 ( -5.063 -8.770 0.000) 10.126 19.988 ( 1.621 2.807 0.000) 3.241 20.018 ( 1.301 2.254 0.000) 2.602 20.706 ( -4.336 -7.510 0.000) 8.672 21.345 ( -9.042 -15.661 0.000) 18.084 21.420 ( -0.599 -1.037 0.000) 1.198 21.421 ( -0.796 -1.379 0.000) 1.592 21.534 ( -0.995 -1.723 0.000) 1.990 21.567 ( -0.067 -0.116 0.000) 0.134 21.607 ( -0.952 -1.648 0.000) 1.903 22.278 ( -4.349 -7.533 0.000) 8.698======================= Grid point 15 (9/57) =======================q-point: ( 0.17 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.462 ( 20.308 24.299 0.000) 31.668 1.828 ( 15.999 30.294 0.000) 34.259 2.597 ( 9.094 20.594 0.000) 22.512 2.768 ( -9.124 -8.109 0.000) 12.206 3.320 ( 18.276 24.784 0.000) 30.794 3.504 ( 9.071 -4.475 0.000) 10.115 3.752 ( 21.063 18.834 0.000) 28.255 3.863 ( -7.998 3.679 0.000) 8.804 4.049 ( 8.439 0.059 0.000) 8.439 4.641 ( -1.859 -2.024 0.000) 2.748 4.790 ( 17.291 19.616 0.000) 26.149 5.471 ( 6.395 5.957 0.000) 8.739 5.934 ( -5.783 -5.272 0.000) 7.825 6.138 ( -1.715 -1.476 0.000) 2.263 7.271 ( 1.938 2.503 0.000) 3.166 7.297 ( 5.927 3.913 0.000) 7.102 7.506 ( 5.303 5.520 0.000) 7.654 7.590 ( 1.893 2.439 0.000) 3.087 9.165 ( -6.723 -5.951 0.000) 8.978 9.220 ( -3.579 -2.556 0.000) 4.398 9.533 ( -10.520 -8.834 0.000) 13.737 9.814 ( -10.881 -10.553 0.000) 15.158 9.850 ( -1.322 -10.808 0.000) 10.888 9.976 ( -1.622 -11.356 0.000) 11.472 10.976 ( -21.177 9.236 0.000) 23.104 11.227 ( -28.700 5.969 0.000) 29.314 11.584 ( 20.380 -16.309 0.000) 26.102 11.818 ( 21.756 -18.258 0.000) 28.402 12.265 ( 5.024 17.699 0.000) 18.398 12.555 ( 2.758 14.726 0.000) 14.982 14.248 ( 0.631 -6.646 0.000) 6.676 14.456 ( -0.854 -8.737 0.000) 8.779 14.863 ( -8.696 15.827 0.000) 18.059 15.097 ( -10.629 8.797 0.000) 13.797 15.183 ( 19.957 3.274 0.000) 20.223 15.414 ( 18.753 7.758 0.000) 20.294 16.676 ( 29.131 37.004 0.000) 47.095 17.139 ( 2.104 -1.510 0.000) 2.590 17.370 ( 4.596 2.246 0.000) 5.115 17.448 ( 6.886 10.279 0.000) 12.373 17.652 ( 9.110 12.965 0.000) 15.846 18.232 ( -2.376 -2.698 0.000) 3.595 18.303 ( -1.708 -2.102 0.000) 2.709 18.984 ( -8.770 -10.202 0.000) 13.453 20.042 ( 1.661 1.629 0.000) 2.327 20.049 ( -1.530 2.673 0.000) 3.080 20.529 ( -4.363 -14.003 0.000) 14.667 20.910 ( -20.550 -14.856 0.000) 25.358 21.387 ( -1.321 -1.527 0.000) 2.019 21.406 ( -0.585 -0.395 0.000) 0.706 21.493 ( -1.607 -2.054 0.000) 2.608 21.563 ( -0.312 -0.114 0.000) 0.332 21.590 ( 1.597 -4.272 0.000) 4.561 22.148 ( -4.544 -3.168 0.000) 5.539======================= Grid point 16 (10/57) =======================q-point: ( 0.25 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.043 ( 18.229 23.718 0.000) 29.914 2.305 ( 4.893 27.286 0.000) 27.722 2.612 ( -3.154 0.161 0.000) 3.158 2.965 ( 8.316 24.504 0.000) 25.877 3.436 ( 0.702 -6.050 0.000) 6.091 3.625 ( -5.054 4.835 0.000) 6.994 3.857 ( 1.493 1.144 0.000) 1.881 4.106 ( 9.055 4.299 0.000) 10.023 4.232 ( 14.209 1.086 0.000) 14.250 4.624 ( 0.995 0.180 0.000) 1.012 5.577 ( 39.394 32.887 0.000) 51.317 5.706 ( -12.553 -7.602 0.000) 14.675 5.907 ( 26.300 18.114 0.000) 31.935 6.048 ( -6.084 -3.776 0.000) 7.160 7.315 ( 3.745 -1.926 0.000) 4.211 7.483 ( 9.108 6.303 0.000) 11.077 7.626 ( 2.215 -0.642 0.000) 2.307 7.684 ( 7.392 7.491 0.000) 10.524 8.991 ( -6.987 -6.698 0.000) 9.679 9.145 ( -2.786 -1.879 0.000) 3.360 9.248 ( -14.089 -4.006 0.000) 14.647 9.498 ( -14.383 -8.664 0.000) 16.791 9.678 ( -1.436 -19.933 0.000) 19.984 9.808 ( -0.974 -18.729 0.000) 18.754 10.581 ( -30.949 7.608 0.000) 31.870 10.758 ( -33.392 7.500 0.000) 34.224 11.802 ( 22.332 -17.433 0.000) 28.331 12.023 ( 22.166 -17.359 0.000) 28.154 12.492 ( 1.624 16.469 0.000) 16.549 12.729 ( 0.431 15.176 0.000) 15.182 14.205 ( 2.919 -8.508 0.000) 8.995 14.358 ( 1.098 -11.534 0.000) 11.586 14.825 ( -10.523 12.536 0.000) 16.367 14.975 ( -11.921 7.476 0.000) 14.071 15.623 ( 21.815 9.769 0.000) 23.902 15.845 ( 19.109 11.621 0.000) 22.365 17.149 ( 4.863 -0.482 0.000) 4.887 17.359 ( 9.677 17.426 0.000) 19.933 17.482 ( 6.687 -0.122 0.000) 6.688 17.855 ( 24.746 22.731 0.000) 33.601 17.961 ( 10.139 15.357 0.000) 18.402 18.131 ( -5.146 -4.688 0.000) 6.961 18.252 ( -1.145 -1.924 0.000) 2.239 18.716 ( -10.377 -10.271 0.000) 14.601 19.975 ( -9.315 -1.780 0.000) 9.484 20.062 ( -0.030 -1.034 0.000) 1.035 20.168 ( -18.248 -20.716 0.000) 27.607 20.575 ( -4.026 -4.795 0.000) 6.261 21.350 ( -1.306 -1.309 0.000) 1.849 21.393 ( -0.456 -0.334 0.000) 0.565 21.441 ( -2.043 -1.963 0.000) 2.833 21.555 ( -0.427 -0.187 0.000) 0.466 21.567 ( 0.848 -4.613 0.000) 4.690 22.057 ( -3.941 -0.816 0.000) 4.025======================= Grid point 17 (11/57) =======================q-point: ( 0.33 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.478 ( 3.977 23.525 0.000) 23.859 2.479 ( -6.257 14.806 0.000) 16.074 2.698 ( 2.992 13.101 0.000) 13.438 3.316 ( -9.017 -2.186 0.000) 9.278 3.401 ( 15.328 24.343 0.000) 28.767 3.608 ( 0.834 0.473 0.000) 0.959 3.831 ( -2.013 -3.206 0.000) 3.786 4.228 ( 3.064 2.058 0.000) 3.691 4.556 ( 18.483 6.446 0.000) 19.575 4.670 ( 2.865 1.323 0.000) 3.155 5.334 ( -20.139 -9.221 0.000) 22.150 5.842 ( -11.535 -6.293 0.000) 13.140 6.616 ( 33.647 15.958 0.000) 37.239 6.623 ( 44.613 27.860 0.000) 52.597 7.365 ( 6.277 -5.554 0.000) 8.381 7.655 ( 3.630 -3.304 0.000) 4.908 7.711 ( 9.271 6.184 0.000) 11.144 7.900 ( 8.143 8.163 0.000) 11.530 8.745 ( -9.879 -13.340 0.000) 16.600 9.027 ( -9.314 -3.059 0.000) 9.804 9.029 ( -7.273 -10.499 0.000) 12.772 9.198 ( -10.410 -7.433 0.000) 12.791 9.438 ( -3.737 -14.444 0.000) 14.920 9.586 ( -4.509 -12.989 0.000) 13.750 10.138 ( -30.198 10.531 0.000) 31.982 10.275 ( -32.025 10.786 0.000) 33.793 11.979 ( 18.484 -17.874 0.000) 25.713 12.212 ( 19.546 -17.581 0.000) 26.289 12.645 ( -1.049 13.672 0.000) 13.712 12.866 ( -1.501 14.227 0.000) 14.306 14.175 ( 4.158 -9.952 0.000) 10.786 14.269 ( 3.096 -13.454 0.000) 13.805 14.771 ( -10.507 13.456 0.000) 17.072 14.857 ( -11.608 10.111 0.000) 15.395 16.074 ( 18.398 10.148 0.000) 21.012 16.259 ( 15.728 10.452 0.000) 18.885 17.221 ( 6.514 -4.581 0.000) 7.964 17.560 ( 4.320 -5.019 0.000) 6.622 17.577 ( 0.783 14.289 0.000) 14.310 17.975 ( -6.549 -5.255 0.000) 8.396 18.218 ( 4.509 4.375 0.000) 6.283 18.330 ( 8.840 12.874 0.000) 15.617 18.434 ( -5.932 -7.356 0.000) 9.450 18.536 ( 20.507 17.749 0.000) 27.121 19.551 ( -21.612 -19.336 0.000) 28.999 19.819 ( -12.779 -1.020 0.000) 12.819 20.013 ( -2.516 -4.238 0.000) 4.929 20.549 ( 3.925 -4.794 0.000) 6.196 21.319 ( -1.011 -0.830 0.000) 1.308 21.385 ( -0.267 -0.118 0.000) 0.291 21.390 ( -1.833 -1.364 0.000) 2.285 21.532 ( 0.196 -3.992 0.000) 3.997 21.546 ( -0.318 -0.236 0.000) 0.396 21.996 ( -2.933 0.332 0.000) 2.952======================= Grid point 18 (12/57) =======================q-point: ( 0.42 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.487 ( -8.155 13.557 0.000) 15.821 2.654 ( -9.143 23.413 0.000) 25.135 2.887 ( 4.664 10.941 0.000) 11.894 3.123 ( -13.658 4.096 0.000) 14.259 3.643 ( 3.156 -1.677 0.000) 3.574 3.762 ( -1.160 -3.685 0.000) 3.863 3.906 ( 14.982 16.801 0.000) 22.511 4.274 ( 0.439 1.475 0.000) 1.539 4.704 ( -3.255 2.090 0.000) 3.869 4.910 ( -14.703 -6.261 0.000) 15.981 4.931 ( 14.066 7.347 0.000) 15.869 5.558 ( -11.733 -6.130 0.000) 13.238 7.267 ( 24.537 4.145 0.000) 24.885 7.424 ( 9.102 -4.245 0.000) 10.043 7.561 ( 34.569 13.341 0.000) 37.054 7.690 ( 7.031 -2.389 0.000) 7.426 7.813 ( -5.505 -0.187 0.000) 5.509 8.050 ( -1.243 0.331 0.000) 1.286 8.537 ( 5.961 -10.815 0.000) 12.349 8.724 ( -10.144 -13.230 0.000) 16.672 8.755 ( -6.188 -22.448 0.000) 23.285 8.916 ( -4.684 -17.315 0.000) 17.938 9.380 ( -7.240 18.674 0.000) 20.028 9.506 ( -9.004 17.871 0.000) 20.011 9.796 ( -19.152 8.964 0.000) 21.146 9.938 ( -16.374 7.670 0.000) 18.081 12.074 ( 13.918 -19.091 0.000) 23.626 12.326 ( 14.812 -19.463 0.000) 24.458 12.724 ( -3.955 10.981 0.000) 11.672 12.948 ( -4.416 12.197 0.000) 12.972 14.154 ( 5.271 -10.368 0.000) 11.631 14.209 ( 5.746 -13.469 0.000) 14.643 14.738 ( -9.685 14.998 0.000) 17.854 14.789 ( -9.586 12.970 0.000) 16.128 16.395 ( 7.873 5.726 0.000) 9.735 16.542 ( 6.352 5.826 0.000) 8.619 17.264 ( 5.816 -8.363 0.000) 10.186 17.537 ( 2.131 -7.831 0.000) 8.115 17.682 ( -4.186 11.355 0.000) 12.102 17.860 ( -2.201 0.008 0.000) 2.201 18.234 ( -4.155 -6.559 0.000) 7.764 18.348 ( 6.728 0.387 0.000) 6.739 18.635 ( 8.182 16.858 0.000) 18.738 18.982 ( 10.000 9.534 0.000) 13.817 19.039 ( -18.398 -12.360 0.000) 22.164 19.632 ( -6.739 -0.414 0.000) 6.752 19.915 ( -1.839 -5.213 0.000) 5.527 20.572 ( 4.156 -5.601 0.000) 6.974 21.300 ( -0.575 -0.146 0.000) 0.594 21.359 ( -0.633 -0.518 0.000) 0.818 21.382 ( -0.138 0.090 0.000) 0.165 21.503 ( 0.720 -2.919 0.000) 3.006 21.541 ( -0.070 -0.182 0.000) 0.195 21.964 ( -1.609 1.160 0.000) 1.984======================= Grid point 27 (13/57) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 129Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( 17.014 29.470 0.000) 34.029 2.435 ( 16.519 28.612 0.000) 33.038 2.648 ( -2.058 -3.564 0.000) 4.116 3.061 ( 14.241 24.666 0.000) 28.482 3.385 ( -1.694 -2.935 0.000) 3.389 3.727 ( 6.625 11.476 0.000) 13.251 3.865 ( -0.731 -1.266 0.000) 1.462 4.023 ( 5.561 9.631 0.000) 11.121 4.048 ( 0.425 0.737 0.000) 0.851 4.616 ( -0.246 -0.427 0.000) 0.493 5.400 ( 23.098 40.008 0.000) 46.197 5.754 ( 12.611 21.842 0.000) 25.221 5.791 ( -5.509 -9.541 0.000) 11.017 6.083 ( -2.589 -4.484 0.000) 5.177 7.267 ( -1.157 -2.003 0.000) 2.313 7.432 ( 5.264 9.118 0.000) 10.528 7.605 ( -0.388 -0.672 0.000) 0.776 7.654 ( 5.373 9.306 0.000) 10.745 9.024 ( -5.268 -9.125 0.000) 10.536 9.165 ( -2.076 -3.596 0.000) 4.153 9.383 ( -3.056 -5.292 0.000) 6.111 9.556 ( -10.644 -18.436 0.000) 21.289 9.613 ( -5.216 -9.035 0.000) 10.432 9.684 ( -9.996 -17.313 0.000) 19.992 11.163 ( -1.234 -2.137 0.000) 2.468 11.242 ( -3.907 -6.768 0.000) 7.815 11.374 ( -2.913 -5.045 0.000) 5.826 11.454 ( -3.243 -5.617 0.000) 6.485 12.561 ( 7.022 12.162 0.000) 14.043 12.803 ( 6.172 10.690 0.000) 12.344 14.133 ( -2.826 -4.895 0.000) 5.652 14.285 ( -4.830 -8.365 0.000) 9.660 15.050 ( 1.158 2.007 0.000) 2.317 15.152 ( -0.881 -1.525 0.000) 1.761 15.413 ( 11.950 20.697 0.000) 23.899 15.705 ( 11.382 19.714 0.000) 22.763 17.115 ( -0.169 -0.292 0.000) 0.337 17.347 ( 14.593 25.277 0.000) 29.187 17.418 ( 1.468 2.543 0.000) 2.936 17.762 ( 14.219 24.628 0.000) 28.438 17.953 ( 9.879 17.110 0.000) 19.757 18.152 ( -3.168 -5.488 0.000) 6.336 18.252 ( -1.605 -2.781 0.000) 3.211 18.754 ( -7.373 -12.771 0.000) 14.746 20.055 ( -0.364 -0.631 0.000) 0.729 20.098 ( 0.624 1.081 0.000) 1.248 20.157 ( -13.166 -22.805 0.000) 26.332 20.609 ( -8.304 -14.383 0.000) 16.608 21.355 ( -0.967 -1.676 0.000) 1.935 21.396 ( -0.316 -0.548 0.000) 0.633 21.449 ( -1.351 -2.341 0.000) 2.703 21.525 ( -1.336 -2.314 0.000) 2.672 21.558 ( -0.218 -0.377 0.000) 0.435 22.091 ( -1.563 -2.707 0.000) 3.126======================= Grid point 28 (14/57) =======================q-point: ( 0.25 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.582 ( 15.233 30.073 0.000) 33.711 2.626 ( -0.856 4.066 0.000) 4.155 2.861 ( 3.219 20.040 0.000) 20.297 3.372 ( 1.526 1.421 0.000) 2.085 3.516 ( 7.402 29.353 0.000) 30.272 3.757 ( -10.446 10.274 0.000) 14.652 3.837 ( -3.566 -1.765 0.000) 3.979 4.177 ( 5.464 3.555 0.000) 6.518 4.237 ( 21.782 0.021 0.000) 21.782 4.631 ( 2.111 0.557 0.000) 2.183 5.543 ( -13.015 -8.871 0.000) 15.751 5.946 ( -7.311 -6.176 0.000) 9.570 6.256 ( 31.845 33.901 0.000) 46.512 6.270 ( 23.248 17.946 0.000) 29.369 7.221 ( 1.477 -6.869 0.000) 7.026 7.579 ( 0.412 -3.831 0.000) 3.853 7.636 ( 7.602 8.918 0.000) 11.718 7.858 ( 6.950 9.699 0.000) 11.932 8.795 ( -9.176 -11.917 0.000) 15.040 9.045 ( -5.567 -8.413 0.000) 10.088 9.100 ( -14.724 -23.234 0.000) 27.507 9.269 ( -14.020 -21.234 0.000) 25.445 9.399 ( 2.703 4.050 0.000) 4.869 9.552 ( 1.487 1.484 0.000) 2.101 10.779 ( -31.827 10.817 0.000) 33.615 10.958 ( -33.960 11.116 0.000) 35.733 11.421 ( 23.635 -21.024 0.000) 31.633 11.638 ( 24.524 -21.439 0.000) 32.574 12.750 ( 2.630 10.142 0.000) 10.478 12.981 ( 2.515 10.578 0.000) 10.873 14.053 ( 0.009 -6.683 0.000) 6.683 14.133 ( -1.772 -10.682 0.000) 10.828 15.053 ( -6.198 9.709 0.000) 11.518 15.100 ( -6.191 4.722 0.000) 7.786 15.864 ( 18.235 15.131 0.000) 23.696 16.112 ( 14.807 15.444 0.000) 21.396 17.122 ( 1.795 -1.537 0.000) 2.363 17.455 ( 2.157 -2.722 0.000) 3.473 17.668 ( 4.971 13.600 0.000) 14.480 18.018 ( -5.182 -6.553 0.000) 8.355 18.210 ( -0.088 0.059 0.000) 0.106 18.311 ( 10.756 17.511 0.000) 20.551 18.347 ( 17.842 22.230 0.000) 28.504 18.509 ( -5.455 -7.378 0.000) 9.176 19.664 ( -16.278 -22.639 0.000) 27.883 20.007 ( -2.283 -4.664 0.000) 5.193 20.045 ( -10.546 1.402 0.000) 10.639 20.409 ( 1.437 -11.592 0.000) 11.680 21.325 ( -0.789 -1.066 0.000) 1.326 21.388 ( -0.212 -0.199 0.000) 0.290 21.403 ( -1.488 -1.821 0.000) 2.352 21.488 ( -0.009 -3.055 0.000) 3.055 21.549 ( -0.357 -0.417 0.000) 0.549 22.041 ( -2.151 -0.929 0.000) 2.343======================= Grid point 29 (15/57) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 222Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.670 ( -1.228 6.880 0.000) 6.988 2.972 ( -2.164 5.689 0.000) 6.086 3.042 ( 0.879 31.991 0.000) 32.003 3.456 ( -0.824 12.479 0.000) 12.506 3.663 ( -13.359 13.272 0.000) 18.832 3.745 ( -2.354 -5.098 0.000) 5.616 3.905 ( 7.347 24.498 0.000) 25.576 4.275 ( 2.162 2.641 0.000) 3.413 4.683 ( 23.755 6.376 0.000) 24.596 4.696 ( 4.238 1.109 0.000) 4.380 5.183 ( -19.843 -5.441 0.000) 20.576 5.703 ( -12.290 -8.208 0.000) 14.778 6.857 ( 28.244 8.611 0.000) 29.528 7.101 ( 34.328 19.986 0.000) 39.722 7.199 ( 6.501 -9.931 0.000) 11.870 7.556 ( 3.073 -6.254 0.000) 6.968 7.830 ( 4.518 5.055 0.000) 6.780 8.046 ( 3.986 5.207 0.000) 6.557 8.472 ( -11.757 -16.201 0.000) 20.018 8.644 ( -7.739 -23.897 0.000) 25.119 8.773 ( -13.460 -19.106 0.000) 23.371 8.866 ( -6.584 -13.491 0.000) 15.012 9.580 ( 4.215 19.530 0.000) 19.980 9.701 ( 4.200 17.623 0.000) 18.117 10.341 ( -30.714 9.422 0.000) 32.126 10.485 ( -32.965 9.877 0.000) 34.412 11.579 ( 19.600 -22.508 0.000) 29.846 11.811 ( 20.758 -23.064 0.000) 31.030 12.858 ( -0.555 8.196 0.000) 8.215 13.097 ( -0.601 9.319 0.000) 9.338 14.001 ( 2.085 -7.430 0.000) 7.717 14.022 ( 1.552 -11.066 0.000) 11.174 15.044 ( -8.122 13.373 0.000) 15.646 15.050 ( -7.257 8.742 0.000) 11.362 16.284 ( 14.080 11.317 0.000) 18.065 16.476 ( 10.876 11.691 0.000) 15.968 17.127 ( 2.170 -5.321 0.000) 5.747 17.419 ( 0.716 -8.909 0.000) 8.937 17.822 ( -2.506 5.665 0.000) 6.194 17.898 ( -0.253 2.015 0.000) 2.031 18.250 ( -6.817 -9.342 0.000) 11.564 18.260 ( 4.794 2.196 0.000) 5.273 18.647 ( 8.171 14.472 0.000) 16.620 18.898 ( 14.390 17.275 0.000) 22.484 19.211 ( -14.413 -12.553 0.000) 19.113 19.814 ( -14.536 0.266 0.000) 14.539 19.891 ( -3.269 -8.104 0.000) 8.738 20.388 ( 7.242 -11.398 0.000) 13.505 21.308 ( -0.487 -0.219 0.000) 0.534 21.366 ( -1.067 -1.088 0.000) 1.524 21.385 ( -0.102 0.150 0.000) 0.182 21.462 ( 0.394 -2.758 0.000) 2.786 21.540 ( -0.190 -0.384 0.000) 0.429 22.004 ( -1.763 0.302 0.000) 1.789======================= Grid point 30 (16/57) =======================q-point: ( 0.42 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.696 ( -4.135 7.161 0.000) 8.269 2.974 ( -0.355 0.614 0.000) 0.709 3.207 ( -17.028 29.494 0.000) 34.056 3.547 ( -18.785 32.537 0.000) 37.571 3.586 ( 2.034 -3.524 0.000) 4.069 3.688 ( 1.475 -2.555 0.000) 2.950 4.145 ( -3.896 6.749 0.000) 7.793 4.305 ( -0.906 1.569 0.000) 1.812 4.797 ( 1.910 -3.308 0.000) 3.820 4.873 ( -7.382 12.786 0.000) 14.764 5.006 ( 1.142 -1.977 0.000) 2.283 5.476 ( 0.767 -1.329 0.000) 1.534 7.134 ( 6.688 -11.584 0.000) 13.376 7.344 ( 5.546 -9.607 0.000) 11.093 7.525 ( 4.384 -7.593 0.000) 8.768 7.702 ( 5.039 -8.729 0.000) 10.079 7.789 ( 1.133 -1.962 0.000) 2.265 7.978 ( 1.123 -1.946 0.000) 2.247 8.305 ( 7.211 -12.490 0.000) 14.422 8.418 ( 4.182 -7.243 0.000) 8.364 8.529 ( 2.248 -3.893 0.000) 4.496 8.724 ( 2.405 -4.165 0.000) 4.809 9.854 ( -13.049 22.601 0.000) 26.097 9.967 ( -13.445 23.288 0.000) 26.890 9.984 ( -7.689 13.317 0.000) 15.378 10.108 ( -7.410 12.834 0.000) 14.819 11.636 ( 14.472 -25.067 0.000) 28.945 11.876 ( 15.072 -26.106 0.000) 30.145 12.893 ( -3.635 6.296 0.000) 7.270 13.139 ( -4.191 7.259 0.000) 8.382 13.979 ( 5.466 -9.468 0.000) 10.932 13.981 ( 3.996 -6.921 0.000) 7.992 15.030 ( -6.244 10.814 0.000) 12.488 15.041 ( -8.485 14.696 0.000) 16.969 16.484 ( -1.888 3.269 0.000) 3.775 16.646 ( -2.693 4.665 0.000) 5.386 17.105 ( 4.347 -7.529 0.000) 8.694 17.362 ( 5.225 -9.049 0.000) 10.449 17.780 ( -0.748 1.296 0.000) 1.497 17.984 ( -5.189 8.988 0.000) 10.379 18.107 ( 3.311 -5.736 0.000) 6.623 18.345 ( 0.356 -0.616 0.000) 0.711 18.783 ( 3.746 -6.488 0.000) 7.492 19.026 ( -8.359 14.478 0.000) 16.718 19.131 ( -3.280 5.681 0.000) 6.560 19.662 ( -2.321 4.020 0.000) 4.642 19.799 ( 3.521 -6.099 0.000) 7.042 20.397 ( 6.907 -11.963 0.000) 13.814 21.303 ( -0.232 0.401 0.000) 0.463 21.351 ( 0.188 -0.325 0.000) 0.375 21.385 ( -0.161 0.279 0.000) 0.322 21.451 ( 1.223 -2.119 0.000) 2.447 21.536 ( 0.138 -0.239 0.000) 0.276 21.990 ( -0.694 1.202 0.000) 1.388======================= Grid point 41 (17/57) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.711 ( 2.609 4.519 0.000) 5.218 3.020 ( -0.134 -0.232 0.000) 0.268 3.182 ( 17.058 29.545 0.000) 34.116 3.455 ( 2.328 4.032 0.000) 4.656 3.735 ( -3.110 -5.386 0.000) 6.219 4.033 ( 11.943 20.686 0.000) 23.887 4.182 ( 11.560 20.023 0.000) 23.120 4.253 ( 2.321 4.021 0.000) 4.643 4.266 ( 6.164 10.676 0.000) 12.328 4.645 ( 0.528 0.914 0.000) 1.056 5.354 ( -5.906 -10.230 0.000) 11.813 5.775 ( -6.633 -11.489 0.000) 13.266 6.621 ( 10.681 18.500 0.000) 21.362 6.890 ( 17.243 29.865 0.000) 34.485 7.083 ( -3.516 -6.090 0.000) 7.032 7.494 ( -2.444 -4.233 0.000) 4.888 7.811 ( 4.432 7.676 0.000) 8.863 8.035 ( 3.934 6.814 0.000) 7.868 8.533 ( -17.109 -29.633 0.000) 34.218 8.560 ( -6.804 -11.784 0.000) 13.607 8.792 ( -13.579 -23.520 0.000) 27.158 8.860 ( -5.553 -9.617 0.000) 11.105 9.640 ( 9.874 17.102 0.000) 19.748 9.750 ( 9.282 16.078 0.000) 18.565 10.920 ( -5.269 -9.126 0.000) 10.538 11.033 ( -3.525 -6.105 0.000) 7.050 11.099 ( -5.303 -9.186 0.000) 10.607 11.242 ( -4.000 -6.929 0.000) 8.001 12.903 ( 3.220 5.578 0.000) 6.440 13.149 ( 3.730 6.461 0.000) 7.461 13.945 ( -2.446 -4.237 0.000) 4.892 13.952 ( -4.311 -7.467 0.000) 8.622 15.163 ( 1.129 1.956 0.000) 2.258 15.199 ( 3.029 5.247 0.000) 6.059 16.201 ( 10.440 18.082 0.000) 20.879 16.434 ( 9.509 16.471 0.000) 19.019 17.083 ( -1.696 -2.938 0.000) 3.393 17.366 ( -3.734 -6.468 0.000) 7.469 17.889 ( -3.356 -5.812 0.000) 6.712 17.891 ( 4.953 8.579 0.000) 9.906 18.230 ( 1.792 3.103 0.000) 3.584 18.267 ( -5.548 -9.609 0.000) 11.096 18.648 ( 7.738 13.403 0.000) 15.476 18.857 ( 12.590 21.807 0.000) 25.180 19.270 ( -8.307 -14.388 0.000) 16.613 19.877 ( -4.821 -8.349 0.000) 9.641 20.059 ( -1.873 -3.245 0.000) 3.747 20.155 ( -6.140 -10.634 0.000) 12.279 21.311 ( -0.185 -0.321 0.000) 0.370 21.370 ( -0.876 -1.517 0.000) 1.752 21.387 ( 0.070 0.121 0.000) 0.140 21.445 ( -0.906 -1.570 0.000) 1.813 21.540 ( -0.277 -0.480 0.000) 0.555 22.021 ( -0.566 -0.980 0.000) 1.132======================= Grid point 42 (18/57) =======================q-point: ( 0.33 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.792 ( 0.197 5.745 0.000) 5.749 2.977 ( -1.358 -2.635 0.000) 2.965 3.520 ( 2.867 0.544 0.000) 2.918 3.635 ( -1.632 -5.222 0.000) 5.471 3.668 ( 1.748 29.910 0.000) 29.961 4.243 ( -18.850 33.548 0.000) 38.482 4.250 ( -1.957 7.898 0.000) 8.136 4.323 ( 1.276 1.664 0.000) 2.097 4.683 ( 5.001 -3.244 0.000) 5.961 4.792 ( 24.902 3.855 0.000) 25.199 5.172 ( -10.384 5.095 0.000) 11.567 5.498 ( -9.565 -12.820 0.000) 15.995 6.934 ( 6.334 -3.121 0.000) 7.061 7.087 ( 14.310 3.900 0.000) 14.832 7.376 ( 9.082 2.876 0.000) 9.527 7.476 ( 10.728 4.976 0.000) 11.826 7.757 ( -9.684 -18.770 0.000) 21.121 7.990 ( -8.167 -12.628 0.000) 15.039 8.160 ( 1.119 -3.975 0.000) 4.130 8.358 ( -4.312 -8.850 0.000) 9.844 8.507 ( -1.409 -2.454 0.000) 2.830 8.690 ( -3.701 -6.938 0.000) 7.863 10.032 ( 11.087 24.963 0.000) 27.314 10.147 ( 11.917 26.210 0.000) 28.791 10.492 ( -30.791 5.621 0.000) 31.300 10.645 ( -33.496 6.066 0.000) 34.041 11.103 ( 18.008 -25.405 0.000) 31.140 11.310 ( 19.431 -27.346 0.000) 33.546 12.975 ( -0.142 3.891 0.000) 3.893 13.235 ( -0.145 4.742 0.000) 4.744 13.849 ( 0.400 -6.179 0.000) 6.192 13.888 ( 0.539 -3.938 0.000) 3.975 15.186 ( -2.224 4.872 0.000) 5.355 15.267 ( -2.931 8.452 0.000) 8.946 16.522 ( 6.574 12.733 0.000) 14.330 16.719 ( 4.715 12.855 0.000) 13.693 16.990 ( -1.284 -8.968 0.000) 9.059 17.217 ( -1.381 -11.453 0.000) 11.536 17.814 ( -1.978 0.290 0.000) 1.999 17.984 ( 2.521 -3.108 0.000) 4.002 18.142 ( -3.502 1.755 0.000) 3.917 18.331 ( 3.686 5.296 0.000) 6.452 18.681 ( -2.386 -9.642 0.000) 9.932 19.208 ( 5.889 14.316 0.000) 15.480 19.249 ( 1.430 14.352 0.000) 14.423 19.701 ( -2.797 -10.906 0.000) 11.259 19.823 ( -14.212 0.639 0.000) 14.227 20.118 ( 9.226 -15.186 0.000) 17.769 21.312 ( -0.049 0.532 0.000) 0.534 21.346 ( -0.400 -0.996 0.000) 1.073 21.391 ( -0.010 0.446 0.000) 0.446 21.423 ( 0.086 -1.395 0.000) 1.397 21.532 ( -0.052 -0.334 0.000) 0.338 22.007 ( -0.505 0.039 0.000) 0.507======================= Grid point 54 (19/57) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.899 ( -2.489 -4.311 0.000) 4.978 2.899 ( 2.489 4.311 0.000) 4.978 3.552 ( -1.482 -2.567 0.000) 2.964 3.552 ( 1.482 2.567 0.000) 2.964 4.155 ( -8.724 -15.110 0.000) 17.447 4.155 ( 8.724 15.110 0.000) 17.447 4.332 ( -0.000 -0.000 0.000) 0.000 4.632 ( -0.000 -0.000 0.000) 0.000 4.751 ( -6.491 -11.244 0.000) 12.983 4.751 ( 6.491 11.244 0.000) 12.983 5.264 ( -0.000 -0.000 0.000) 0.000 5.296 ( -0.000 -0.000 0.000) 0.000 6.875 ( -0.000 -0.000 0.000) 0.000 7.325 ( -9.465 -16.394 0.000) 18.930 7.325 ( 9.465 16.394 0.000) 18.930 7.349 ( -0.000 -0.000 0.000) 0.000 7.699 ( -6.916 -11.979 0.000) 13.832 7.699 ( 6.916 11.979 0.000) 13.832 8.218 ( -2.893 -5.011 0.000) 5.786 8.218 ( 2.893 5.011 0.000) 5.786 8.567 ( -2.793 -4.838 0.000) 5.586 8.567 ( 2.793 4.838 0.000) 5.586 10.432 ( 0.000 0.000 0.000) 0.000 10.582 ( -0.000 -0.000 0.000) 0.000 10.624 ( -8.827 -15.290 0.000) 17.655 10.624 ( 8.827 15.290 0.000) 17.655 10.787 ( -9.664 -16.739 0.000) 19.329 10.787 ( 9.664 16.739 0.000) 19.329 13.013 ( -0.000 -0.000 0.000) 0.000 13.282 ( -0.000 -0.000 0.000) 0.000 13.787 ( -0.000 -0.000 0.000) 0.000 13.848 ( -0.000 -0.000 0.000) 0.000 15.235 ( -0.000 -0.000 0.000) 0.000 15.353 ( -0.000 -0.000 0.000) 0.000 16.775 ( -6.228 -10.787 0.000) 12.455 16.775 ( 6.228 10.787 0.000) 12.455 16.975 ( -6.436 -11.147 0.000) 12.872 16.975 ( 6.436 11.147 0.000) 12.872 17.871 ( -2.639 -4.570 0.000) 5.277 17.871 ( 2.639 4.570 0.000) 5.277 18.188 ( -0.000 -0.000 0.000) 0.000 18.475 ( -4.695 -8.132 0.000) 9.390 18.475 ( 4.695 8.132 0.000) 9.390 19.470 ( -6.232 -10.794 0.000) 12.464 19.470 ( -0.000 -0.000 0.000) 0.000 19.470 ( 6.232 10.794 0.000) 12.464 19.867 ( -3.343 -5.790 0.000) 6.686 19.867 ( 3.343 5.790 0.000) 6.686 21.327 ( -0.459 -0.795 0.000) 0.918 21.327 ( 0.459 0.795 0.000) 0.918 21.403 ( -0.376 -0.652 0.000) 0.753 21.403 ( 0.376 0.652 0.000) 0.753 21.529 ( -0.000 -0.000 0.000) 0.000 22.007 ( -0.000 -0.000 0.000) 0.000======================= Grid point 157 (20/57) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.524 ( 0.000 -0.000 28.175) 28.175 0.524 ( 0.000 0.000 28.175) 28.175 1.001 ( 0.000 0.000 53.388) 53.388 1.842 ( 0.000 -0.000 -14.790) 14.790 1.842 ( 0.000 0.000 -14.790) 14.790 3.359 ( 0.000 0.000 -23.747) 23.747 3.602 ( -0.000 -0.000 8.978) 8.978 3.602 ( 0.000 -0.000 8.978) 8.978 4.119 ( 0.000 -0.000 -4.975) 4.975 4.119 ( 0.000 0.000 -4.975) 4.975 6.072 ( 0.000 0.000 0.660) 0.660 6.125 ( 0.000 0.000 -0.652) 0.652 6.138 ( 0.000 0.000 5.275) 5.275 6.354 ( -0.000 0.000 -1.108) 1.108 7.145 ( -0.000 -0.000 2.062) 2.062 7.145 ( -0.000 -0.000 2.062) 2.062 7.313 ( -0.000 0.000 -2.141) 2.141 7.313 ( 0.000 -0.000 -2.141) 2.141 9.442 ( 0.000 -0.000 3.054) 3.054 9.698 ( -0.000 0.000 -3.234) 3.234 10.022 ( -0.000 0.000 1.769) 1.769 10.022 ( 0.000 0.000 1.769) 1.769 10.079 ( 0.000 -0.000 2.337) 2.337 10.155 ( -0.000 -0.000 -1.567) 1.567 10.155 ( 0.000 0.000 -1.567) 1.567 10.251 ( -0.000 0.000 -1.946) 1.946 11.799 ( -0.000 -0.000 0.704) 0.704 11.799 ( -0.000 0.000 0.704) 0.704 11.855 ( 0.000 0.000 -0.671) 0.671 11.855 ( 0.000 0.000 -0.671) 0.671 14.446 ( 0.000 -0.000 1.835) 1.835 14.446 ( 0.000 0.000 1.835) 1.835 14.633 ( 0.000 0.000 -3.318) 3.318 14.633 ( 0.000 0.000 -3.318) 3.318 15.030 ( 0.000 0.000 4.006) 4.006 15.030 ( 0.000 -0.000 4.006) 4.006 15.268 ( -0.000 0.000 -2.426) 2.426 15.268 ( -0.000 -0.000 -2.426) 2.426 17.177 ( 0.000 -0.000 0.499) 0.499 17.177 ( 0.000 0.000 0.499) 0.499 17.225 ( 0.000 -0.000 -0.686) 0.686 17.225 ( 0.000 -0.000 -0.686) 0.686 18.285 ( -0.000 0.000 0.815) 0.815 18.352 ( -0.000 0.000 -0.857) 0.857 19.924 ( 0.000 0.000 0.499) 0.499 19.963 ( -0.000 -0.000 -0.458) 0.458 21.423 ( 0.000 0.000 0.267) 0.267 21.446 ( 0.000 0.000 -0.296) 0.296 21.577 ( -0.000 -0.000 0.754) 0.754 21.577 ( 0.000 0.000 0.754) 0.754 21.635 ( -0.000 0.000 -0.682) 0.682 21.635 ( 0.000 0.000 -0.682) 0.682 22.521 ( 0.000 0.000 0.542) 0.542 22.563 ( 0.000 0.000 -0.516) 0.516======================= Grid point 158 (21/57) =======================q-point: ( 0.08 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.866 ( 23.817 13.751 16.710) 32.180 0.960 ( 13.029 7.522 33.530) 36.751 1.602 ( 51.775 29.892 19.506) 62.886 1.946 ( 8.821 5.093 -13.440) 16.863 2.279 ( 31.075 17.941 -16.214) 39.376 3.233 ( -7.037 -4.063 -13.348) 15.626 3.602 ( 0.419 0.242 7.729) 7.744 3.698 ( 6.114 3.530 5.455) 8.921 4.074 ( -3.450 -1.992 -4.567) 6.061 4.325 ( 10.431 6.022 -10.773) 16.160 5.253 ( -33.255 -19.200 28.570) 47.862 5.829 ( -21.022 -12.137 0.015) 24.275 6.066 ( -0.738 -0.426 0.844) 1.199 6.134 ( 0.605 0.349 -0.841) 1.094 7.165 ( 2.088 1.205 2.055) 3.168 7.197 ( 2.448 1.413 3.745) 4.692 7.337 ( 2.181 1.259 -2.122) 3.293 7.387 ( 5.221 3.014 -1.681) 6.259 9.387 ( -4.049 -2.338 1.511) 4.914 9.443 ( -6.433 -3.714 0.663) 7.457 9.913 ( -6.190 -3.574 3.020) 7.760 10.009 ( -1.021 -0.590 1.685) 2.057 10.137 ( -1.533 -0.885 -1.489) 2.313 10.167 ( -6.194 -3.576 -3.171) 7.823 10.539 ( 27.824 16.064 5.185) 32.544 11.403 ( 8.722 5.035 -21.898) 24.102 11.744 ( -3.498 -2.019 1.049) 4.173 11.846 ( 3.893 2.247 0.222) 4.500 11.907 ( 4.470 2.581 -0.686) 5.207 11.926 ( 12.443 7.184 -9.155) 17.037 14.414 ( -2.143 -1.237 1.981) 3.170 14.523 ( 5.913 3.414 1.999) 7.115 14.611 ( -1.544 -0.891 -3.149) 3.619 14.728 ( 7.652 4.418 -3.366) 9.455 15.041 ( 1.394 0.805 3.541) 3.890 15.258 ( -0.474 -0.274 -2.232) 2.298 15.357 ( 27.437 15.841 7.750) 32.616 17.131 ( 57.448 33.167 -65.991) 93.569 17.172 ( 1.102 0.636 -0.655) 1.431 17.216 ( 3.318 1.916 0.750) 3.904 17.243 ( 1.722 0.994 -0.982) 2.217 17.356 ( 31.674 18.287 -37.206) 52.172 18.285 ( -0.091 -0.052 0.727) 0.735 18.347 ( -0.500 -0.289 -0.813) 0.997 19.949 ( 2.076 1.198 0.428) 2.435 19.982 ( 1.603 0.925 -0.379) 1.889 21.414 ( -4.971 -2.870 1.674) 5.979 21.436 ( -0.876 -0.506 -0.278) 1.049 21.441 ( -12.002 -6.929 4.750) 14.650 21.530 ( -9.667 -5.581 -0.638) 11.181 21.565 ( -1.037 -0.598 0.773) 1.425 21.620 ( -1.275 -0.736 -0.263) 1.496 21.992 ( -22.749 -13.134 29.772) 39.704 22.407 ( -8.673 -5.007 -0.614) 10.033======================= Grid point 159 (22/57) =======================q-point: ( 0.17 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.305 ( 18.429 10.640 22.560) 31.013 1.443 ( 25.259 14.584 9.554) 30.692 2.213 ( 13.863 8.004 -10.433) 19.107 2.693 ( -2.173 -1.255 -20.954) 21.103 2.790 ( 47.083 27.184 6.702) 54.779 3.412 ( 26.359 15.219 -0.554) 30.442 3.633 ( 2.998 1.731 4.828) 5.941 3.789 ( 0.233 0.135 5.414) 5.421 4.028 ( 1.779 1.027 -1.876) 2.782 4.520 ( 7.415 4.281 -7.166) 11.165 4.825 ( -7.497 -4.329 13.011) 15.628 5.444 ( -8.874 -5.123 -4.335) 11.126 6.022 ( -3.668 -2.118 1.504) 4.494 6.139 ( -0.607 -0.351 -1.409) 1.574 7.246 ( 5.057 2.919 1.773) 6.102 7.259 ( 2.927 1.690 3.535) 4.890 7.413 ( 4.567 2.637 -1.940) 5.619 7.504 ( 4.497 2.596 -2.345) 5.697 9.277 ( -8.125 -4.691 0.406) 9.390 9.277 ( -5.256 -3.035 0.318) 6.078 9.718 ( -10.951 -6.323 3.034) 13.004 9.959 ( -10.144 -5.857 -2.604) 11.999 9.983 ( -3.058 -1.765 1.056) 3.685 10.091 ( -2.405 -1.388 -1.308) 3.069 10.910 ( -1.008 -0.582 3.666) 3.846 11.214 ( -16.014 -9.246 -3.762) 18.870 11.795 ( 10.950 6.322 3.277) 13.062 11.968 ( 6.350 3.666 0.453) 7.346 12.047 ( 7.608 4.393 -0.736) 8.816 12.206 ( 10.241 5.912 -6.977) 13.730 14.369 ( -1.606 -0.927 2.020) 2.742 14.551 ( -2.476 -1.430 -2.920) 4.087 14.671 ( 4.192 2.420 2.969) 5.678 14.900 ( 4.306 2.486 -3.205) 5.915 15.141 ( 8.863 5.117 2.309) 10.492 15.305 ( 7.264 4.194 -2.005) 8.624 16.180 ( 41.740 24.099 13.862) 50.151 17.172 ( 0.828 0.478 1.584) 1.851 17.307 ( 4.071 2.351 -1.670) 4.989 17.325 ( 6.303 3.639 1.351) 7.403 17.446 ( 9.952 5.746 -1.761) 11.626 18.269 ( -1.201 -0.693 -0.551) 1.492 18.324 ( -1.578 -0.911 -0.778) 1.981 18.361 ( 24.267 14.011 -61.694) 67.759 20.009 ( 2.819 1.627 0.298) 3.268 20.026 ( 1.787 1.032 0.165) 2.070 20.919 ( -21.656 -12.503 12.404) 27.914 21.165 ( -22.038 -12.724 -1.310) 25.481 21.412 ( -1.480 -0.855 0.028) 1.710 21.412 ( -0.647 -0.374 0.001) 0.748 21.533 ( -1.811 -1.046 0.817) 2.246 21.587 ( -1.584 -0.914 0.063) 1.830 21.783 ( -2.809 -1.622 13.560) 13.942 22.207 ( -7.652 -4.418 -1.847) 9.026======================= Grid point 160 (23/57) =======================q-point: ( 0.25 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.777 ( 21.815 12.595 11.448) 27.669 1.963 ( 19.512 11.265 6.699) 23.505 2.548 ( 15.342 8.858 -8.142) 19.497 2.569 ( -4.109 -2.372 -9.700) 10.798 3.453 ( 9.635 5.563 0.865) 11.159 3.608 ( -7.225 -4.171 -2.803) 8.801 3.811 ( 10.680 6.166 3.798) 12.904 4.051 ( 16.322 9.424 7.490) 20.281 4.137 ( 7.066 4.079 -3.355) 8.822 4.578 ( -0.259 -0.150 -5.235) 5.244 5.105 ( 32.958 19.028 7.476) 38.784 5.562 ( 20.271 11.704 -4.129) 23.769 5.876 ( -9.590 -5.537 2.891) 11.445 6.086 ( -4.411 -2.546 -2.361) 5.614 7.331 ( 3.519 2.032 3.140) 5.136 7.394 ( 7.942 4.585 1.362) 9.271 7.547 ( 7.226 4.172 -1.938) 8.566 7.587 ( 2.982 1.722 -2.799) 4.437 9.095 ( -7.373 -4.257 1.050) 8.579 9.165 ( -4.266 -2.463 -0.922) 5.011 9.424 ( -14.527 -8.387 3.135) 17.065 9.656 ( -15.074 -8.703 -2.811) 17.631 9.925 ( -3.320 -1.917 1.295) 4.047 10.025 ( -3.512 -2.027 -1.228) 4.237 10.614 ( -20.640 -11.917 1.928) 23.911 10.768 ( -22.902 -13.223 -1.907) 26.514 12.108 ( 13.204 7.623 2.559) 15.460 12.118 ( 6.552 3.783 1.029) 7.635 12.241 ( 9.189 5.305 -0.606) 10.627 12.406 ( 7.660 4.423 -3.516) 9.518 14.344 ( -0.659 -0.380 1.702) 1.865 14.495 ( -2.321 -1.340 -2.329) 3.550 14.690 ( -1.896 -1.095 2.687) 3.466 14.872 ( -5.053 -2.918 -2.106) 6.203 15.456 ( 17.706 10.222 1.834) 20.527 15.615 ( 17.799 10.276 -2.274) 20.678 17.063 ( 29.527 17.048 13.604) 36.709 17.220 ( 3.455 1.995 2.546) 4.733 17.426 ( 6.191 3.575 -2.448) 7.557 17.556 ( 17.917 10.344 2.848) 20.883 17.701 ( 12.219 7.055 -2.968) 14.419 18.206 ( -4.217 -2.435 0.411) 4.887 18.275 ( -2.585 -1.492 -1.038) 3.160 18.629 ( 2.410 1.391 -25.586) 25.737 20.019 ( -3.828 -2.210 2.064) 4.879 20.061 ( 1.344 0.776 0.142) 1.559 20.558 ( -9.122 -5.267 -2.955) 10.940 20.576 ( -28.185 -16.273 -1.342) 32.573 21.375 ( -1.647 -0.951 0.215) 1.914 21.395 ( -0.785 -0.453 -0.389) 0.986 21.484 ( -2.410 -1.391 0.870) 2.915 21.549 ( -1.766 -1.020 -0.804) 2.192 21.740 ( -1.536 -0.887 9.280) 9.448 22.071 ( -4.521 -2.610 -1.824) 5.529======================= Grid point 161 (24/57) =======================q-point: ( 0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.214 ( 14.701 8.488 5.674) 17.899 2.293 ( 9.021 5.208 6.328) 12.188 2.566 ( 3.920 2.263 -1.984) 4.942 2.931 ( 19.082 11.017 -9.160) 23.862 3.412 ( -9.281 -5.358 -0.231) 10.719 3.544 ( 1.673 0.966 -3.503) 4.001 3.925 ( 0.916 0.529 5.737) 5.834 4.197 ( 2.881 1.663 0.334) 3.344 4.414 ( 13.578 7.839 -0.187) 15.679 4.615 ( 3.213 1.855 -3.153) 4.869 5.576 ( -16.152 -9.325 4.883) 19.279 5.920 ( -9.515 -5.493 -3.979) 11.685 6.081 ( 47.458 27.400 3.034) 54.883 6.247 ( 34.987 20.200 -0.886) 40.409 7.418 ( 3.934 2.271 2.682) 5.275 7.600 ( 9.505 5.488 0.424) 10.984 7.652 ( 3.217 1.858 -2.059) 4.247 7.740 ( 9.564 5.522 -1.937) 11.212 8.962 ( -4.118 -2.377 1.075) 4.875 9.026 ( -13.088 -7.556 -0.617) 15.126 9.147 ( -4.005 -2.312 1.758) 4.947 9.296 ( -15.980 -9.226 -2.001) 18.560 9.822 ( -5.708 -3.296 1.219) 6.703 9.928 ( -5.246 -3.029 -1.554) 6.254 10.068 ( -26.084 -15.060 1.681) 30.166 10.180 ( -28.547 -16.482 -1.250) 32.987 12.256 ( 5.408 3.122 1.866) 6.517 12.356 ( 8.748 5.051 0.576) 10.118 12.449 ( 8.550 4.936 -0.362) 9.879 12.559 ( 5.769 3.331 -1.959) 6.944 14.335 ( -0.191 -0.110 1.291) 1.310 14.450 ( -1.596 -0.921 -1.716) 2.518 14.620 ( -3.669 -2.118 1.668) 4.553 14.730 ( -6.707 -3.872 -1.214) 7.839 15.887 ( 19.084 11.018 1.764) 22.106 16.037 ( 18.213 10.515 -2.013) 21.126 17.327 ( 5.726 3.306 3.249) 7.367 17.409 ( 6.959 4.018 8.544) 11.729 17.567 ( 5.309 3.065 -2.255) 6.532 17.985 ( 12.235 7.064 -5.291) 15.086 18.079 ( -6.635 -3.831 1.035) 7.731 18.168 ( 24.576 14.189 1.718) 28.430 18.241 ( 4.798 2.770 -0.351) 5.551 18.567 ( -6.396 -3.693 -4.428) 8.611 19.846 ( -9.768 -5.640 -1.335) 11.358 19.893 ( -25.338 -14.629 -2.780) 29.389 20.102 ( -3.437 -1.985 3.789) 5.488 20.487 ( 0.953 0.550 -8.946) 9.014 21.341 ( -1.336 -0.771 0.430) 1.601 21.379 ( -0.519 -0.300 -0.780) 0.984 21.427 ( -2.521 -1.455 0.857) 3.034 21.505 ( -2.020 -1.166 -1.994) 3.068 21.707 ( -1.334 -0.770 8.228) 8.371 21.991 ( -2.701 -1.559 -1.541) 3.478======================= Grid point 162 (25/57) =======================q-point: ( 0.42 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.393 ( 1.057 0.610 8.044) 8.136 2.424 ( 4.678 2.701 3.957) 6.696 2.725 ( 9.150 5.283 0.998) 10.613 3.194 ( -9.916 -5.725 1.790) 11.589 3.371 ( 16.421 9.481 -16.093) 24.870 3.570 ( 0.785 0.453 -7.768) 7.821 3.958 ( 4.101 2.368 10.130) 11.182 4.249 ( 1.719 0.992 -0.359) 2.017 4.697 ( 3.483 2.011 0.298) 4.033 4.748 ( 15.417 8.901 -1.647) 17.878 5.162 ( -18.971 -10.953 7.724) 23.228 5.649 ( -13.468 -7.776 -5.004) 16.337 7.036 ( 32.341 18.672 1.886) 37.392 7.137 ( 43.377 25.044 -0.639) 50.092 7.497 ( 2.705 1.562 2.307) 3.883 7.697 ( 1.862 1.075 -2.719) 3.466 7.811 ( 4.990 2.881 1.780) 6.031 7.958 ( 8.242 4.758 -1.995) 9.724 8.727 ( -8.572 -4.949 0.755) 9.926 8.858 ( -8.524 -4.921 -3.699) 10.514 9.003 ( -5.808 -3.353 3.614) 7.618 9.139 ( 1.193 0.689 -1.018) 1.713 9.445 ( -26.567 -15.339 0.551) 30.682 9.493 ( -29.499 -17.031 -0.775) 34.072 9.691 ( -5.902 -3.408 1.902) 7.076 9.825 ( -4.279 -2.471 -1.555) 5.180 12.356 ( 3.146 1.816 2.666) 4.506 12.509 ( 4.620 2.667 -0.089) 5.336 12.611 ( 5.300 3.060 -0.936) 6.191 12.663 ( 3.244 1.873 -1.220) 3.939 14.332 ( -0.099 -0.057 1.015) 1.021 14.422 ( -0.808 -0.466 -1.322) 1.618 14.544 ( -2.664 -1.538 0.807) 3.180 14.594 ( -4.659 -2.690 -0.543) 5.407 16.275 ( 13.763 7.946 1.545) 15.967 16.400 ( 12.637 7.296 -1.568) 14.676 17.453 ( 4.451 2.570 2.918) 5.911 17.513 ( 2.798 1.615 8.161) 8.777 17.622 ( -0.589 -0.340 -0.656) 0.944 17.932 ( -5.062 -2.923 2.559) 6.381 18.231 ( 8.369 4.832 -7.612) 12.301 18.317 ( 8.779 5.068 -5.733) 11.645 18.397 ( -7.157 -4.132 4.074) 9.214 18.723 ( 15.170 8.758 -4.194) 18.012 19.341 ( -19.712 -11.381 3.226) 22.989 19.639 ( -7.504 -4.332 -3.854) 9.483 20.041 ( -2.997 -1.731 5.141) 6.197 20.529 ( 1.876 1.083 -8.586) 8.855 21.315 ( -0.881 -0.509 0.728) 1.251 21.372 ( -0.094 -0.055 -0.912) 0.918 21.378 ( -1.553 -0.897 0.663) 1.912 21.462 ( -1.648 -0.951 -2.995) 3.548 21.682 ( -0.781 -0.451 7.930) 7.981 21.945 ( -1.318 -0.761 -1.358) 2.040======================= Grid point 163 (26/57) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.396 ( 0.000 0.000 8.747) 8.747 2.471 ( 0.000 0.000 3.659) 3.659 2.923 ( 0.000 0.000 -0.790) 0.790 2.990 ( -0.000 -0.000 5.237) 5.237 3.550 ( 0.000 0.000 -11.290) 11.290 3.583 ( -0.000 -0.000 -17.229) 17.229 4.075 ( 0.000 0.000 7.340) 7.340 4.270 ( 0.000 0.000 -0.078) 0.078 4.765 ( 0.000 0.000 13.615) 13.615 4.855 ( 0.000 0.000 1.469) 1.469 5.000 ( 0.000 0.000 -2.174) 2.174 5.421 ( -0.000 -0.000 -5.849) 5.849 7.529 ( 0.000 0.000 2.164) 2.164 7.594 ( 0.000 0.000 3.674) 3.674 7.698 ( 0.000 0.000 1.059) 1.059 7.726 ( -0.000 -0.000 -0.913) 0.913 7.906 ( 0.000 0.000 -4.235) 4.235 7.920 ( -0.000 -0.000 -2.639) 2.639 8.706 ( 0.000 0.000 0.330) 0.330 8.737 ( 0.000 0.000 -0.378) 0.378 8.948 ( -0.000 -0.000 1.700) 1.700 9.007 ( -0.000 -0.000 -0.255) 0.255 9.066 ( -0.000 -0.000 0.687) 0.687 9.161 ( 0.000 0.000 -1.333) 1.333 9.616 ( 0.000 0.000 2.046) 2.046 9.770 ( 0.000 0.000 -1.822) 1.822 12.393 ( 0.000 0.000 3.003) 3.003 12.562 ( 0.000 0.000 -0.160) 0.160 12.673 ( 0.000 0.000 -1.339) 1.339 12.701 ( 0.000 0.000 -0.991) 0.991 14.331 ( 0.000 0.000 0.926) 0.926 14.413 ( 0.000 0.000 -1.192) 1.192 14.512 ( 0.000 0.000 0.468) 0.468 14.538 ( 0.000 0.000 -0.263) 0.263 16.446 ( 0.000 0.000 1.386) 1.386 16.556 ( 0.000 0.000 -1.339) 1.339 17.500 ( 0.000 0.000 1.851) 1.851 17.544 ( 0.000 0.000 7.624) 7.624 17.599 ( 0.000 0.000 0.562) 0.562 17.880 ( 0.000 0.000 4.243) 4.243 18.278 ( 0.000 0.000 4.852) 4.852 18.355 ( 0.000 0.000 -7.948) 7.948 18.515 ( -0.000 -0.000 -8.864) 8.864 18.774 ( 0.000 0.000 -10.350) 10.350 19.158 ( 0.000 0.000 8.897) 8.897 19.545 ( 0.000 0.000 -3.608) 3.608 19.996 ( 0.000 0.000 7.067) 7.067 20.553 ( 0.000 0.000 -8.251) 8.251 21.304 ( 0.000 0.000 0.926) 0.926 21.360 ( 0.000 0.000 0.491) 0.491 21.372 ( 0.000 0.000 -0.779) 0.779 21.441 ( 0.000 0.000 -3.506) 3.506 21.673 ( 0.000 0.000 7.838) 7.838 21.930 ( 0.000 0.000 -1.301) 1.301======================= Grid point 171 (27/57) =======================q-point: ( 0.08 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.198 ( 9.580 16.593 26.146) 32.414 1.320 ( 16.522 28.616 10.463) 34.660 2.153 ( 8.849 15.327 -11.625) 21.174 2.472 ( 28.515 49.389 8.524) 57.663 2.689 ( 6.327 10.958 -22.577) 25.881 3.261 ( 9.620 16.663 -0.208) 19.242 3.566 ( -1.129 -1.956 7.471) 7.805 3.851 ( 5.123 8.874 4.855) 11.339 3.993 ( -3.038 -5.261 -4.112) 7.336 4.474 ( 4.552 7.885 -7.640) 11.886 4.889 ( -7.625 -13.208 15.318) 21.616 5.515 ( -8.344 -14.453 -3.623) 17.078 6.042 ( -1.366 -2.366 1.250) 3.004 6.141 ( 0.030 0.051 -1.211) 1.213 7.201 ( 1.996 3.457 2.168) 4.542 7.257 ( 1.892 3.276 3.714) 5.302 7.376 ( 2.100 3.638 -2.189) 4.736 7.485 ( 2.958 5.124 -2.274) 6.339 9.314 ( -2.698 -4.673 0.607) 5.430 9.332 ( -4.161 -7.208 0.296) 8.328 9.787 ( -5.265 -9.119 3.033) 10.958 9.964 ( -2.204 -3.817 1.534) 4.667 10.032 ( -5.717 -9.903 -3.039) 11.832 10.080 ( -2.685 -4.651 -1.355) 5.539 10.956 ( 10.776 18.664 5.320) 22.199 11.486 ( -0.969 -1.679 -7.651) 7.893 11.608 ( -5.074 -8.789 1.262) 10.227 11.706 ( -3.897 -6.751 -1.176) 7.883 12.017 ( 7.414 12.842 1.742) 14.930 12.271 ( 8.772 15.193 -6.322) 18.647 14.339 ( -2.573 -4.457 2.027) 5.531 14.529 ( -2.855 -4.945 -2.939) 6.422 14.722 ( 8.082 13.998 2.555) 16.364 14.952 ( 8.672 15.021 -3.470) 17.689 15.040 ( 0.111 0.192 2.949) 2.957 15.227 ( -1.210 -2.096 -1.931) 3.096 15.941 ( 23.381 40.497 12.412) 48.381 17.158 ( -0.400 -0.694 1.396) 1.609 17.276 ( 1.455 2.520 -1.534) 3.290 17.299 ( 3.634 6.295 1.165) 7.362 17.394 ( 5.730 9.924 -1.925) 11.620 18.182 ( 20.328 35.210 -74.945) 85.263 18.278 ( -0.551 -0.955 0.613) 1.262 18.333 ( -0.723 -1.252 -0.773) 1.640 19.991 ( 1.592 2.758 0.331) 3.201 20.016 ( 1.333 2.309 -0.283) 2.681 21.041 ( -14.406 -24.953 15.011) 32.489 21.313 ( -9.734 -16.861 -2.483) 19.627 21.420 ( -0.433 -0.750 0.010) 0.866 21.421 ( -0.765 -1.325 0.054) 1.531 21.542 ( -0.986 -1.708 0.784) 2.122 21.601 ( -0.951 -1.648 -0.683) 2.022 21.783 ( -3.312 -5.736 18.437) 19.591 22.262 ( -4.617 -7.997 -1.785) 9.405======================= Grid point 172 (28/57) =======================q-point: ( 0.17 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.607 ( 16.644 19.822 14.555) 29.695 1.893 ( 15.437 28.930 6.832) 33.495 2.504 ( 10.151 20.786 -9.237) 24.908 2.628 ( -4.928 -3.836 -13.850) 15.193 3.347 ( 17.884 24.248 3.271) 30.307 3.555 ( 5.936 -3.497 4.844) 8.422 3.761 ( 10.557 13.867 -3.015) 17.687 3.886 ( 4.380 4.841 2.576) 7.018 4.039 ( 6.681 1.473 1.927) 7.108 4.579 ( 0.143 -0.028 -6.366) 6.368 4.890 ( 13.912 15.934 9.748) 23.290 5.430 ( 6.643 6.407 -4.537) 10.284 5.955 ( -5.309 -4.842 2.191) 7.512 6.120 ( -2.028 -1.788 -1.937) 3.326 7.302 ( 2.528 2.976 3.127) 5.003 7.317 ( 4.913 3.508 2.220) 6.432 7.486 ( 5.382 5.438 -2.118) 7.939 7.561 ( 1.823 2.093 -2.984) 4.075 9.173 ( -6.511 -5.748 0.771) 8.719 9.216 ( -4.020 -3.083 -0.423) 5.083 9.561 ( -10.456 -8.872 2.927) 14.022 9.787 ( -10.815 -10.303 -2.786) 15.194 9.863 ( -1.366 -10.922 1.328) 11.087 9.964 ( -1.611 -11.333 -1.215) 11.511 11.000 ( -21.900 8.924 2.508) 23.781 11.203 ( -28.027 6.265 -2.527) 28.829 11.606 ( 20.609 -16.465 2.327) 26.480 11.795 ( 21.712 -18.041 -2.407) 28.332 12.288 ( 5.123 17.773 2.441) 18.657 12.520 ( 3.376 15.575 -3.509) 16.319 14.266 ( 0.532 -6.783 1.869) 7.056 14.433 ( -0.667 -8.360 -2.405) 8.725 14.888 ( -8.825 15.290 2.616) 17.847 15.077 ( -10.477 9.714 -2.136) 14.447 15.204 ( 19.746 3.469 2.200) 20.169 15.388 ( 18.907 7.159 -2.612) 20.385 16.812 ( 28.938 36.605 14.619) 48.899 17.161 ( 2.476 -1.037 2.327) 3.552 17.348 ( 4.374 1.912 -2.338) 5.315 17.466 ( 7.226 10.616 1.902) 12.982 17.630 ( 8.709 12.567 -2.284) 15.459 18.237 ( -2.403 -2.648 0.502) 3.611 18.294 ( -1.815 -2.211 -0.875) 2.991 18.592 ( 5.938 7.314 -36.637) 37.829 20.044 ( 1.645 1.654 0.278) 2.350 20.056 ( -0.203 1.991 0.309) 2.025 20.588 ( -11.881 -19.684 5.035) 23.536 20.858 ( -20.438 -18.365 -4.426) 27.831 21.390 ( -1.315 -1.351 0.223) 1.898 21.404 ( -0.762 -0.496 -0.184) 0.927 21.501 ( -1.578 -2.048 0.831) 2.716 21.561 ( -1.393 -1.837 -0.633) 2.390 21.723 ( -0.016 -3.323 11.782) 12.242 22.128 ( -4.447 -3.383 -2.239) 6.019======================= Grid point 173 (29/57) =======================q-point: ( 0.25 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.109 ( 16.520 21.335 6.799) 27.826 2.358 ( 5.309 26.707 5.585) 27.797 2.566 ( -0.215 2.536 -4.870) 5.495 2.880 ( 8.229 23.335 -8.351) 26.114 3.457 ( -1.712 -3.608 1.835) 4.395 3.603 ( -6.531 4.028 -2.289) 8.007 3.884 ( 4.954 0.894 3.116) 5.920 4.142 ( 5.314 0.677 1.244) 5.499 4.218 ( 16.022 3.944 0.856) 16.522 4.582 ( 1.775 0.549 -4.382) 4.760 5.617 ( 36.535 30.382 4.073) 47.691 5.744 ( -9.768 -5.964 3.826) 12.067 5.886 ( 25.612 18.461 -2.216) 31.650 6.023 ( -5.551 -3.543 -2.725) 7.126 7.344 ( 3.532 -1.890 3.002) 5.006 7.499 ( 8.694 6.598 1.668) 11.041 7.597 ( 2.441 -0.918 -3.024) 3.994 7.663 ( 7.488 7.473 -2.112) 10.788 9.004 ( -6.803 -6.460 1.367) 9.480 9.120 ( -4.398 -2.899 -2.151) 5.689 9.283 ( -12.936 -4.029 3.183) 13.918 9.477 ( -14.178 -8.171 -2.242) 16.517 9.690 ( -1.426 -19.789 1.329) 19.884 9.795 ( -1.043 -18.824 -1.308) 18.898 10.598 ( -31.136 7.615 1.841) 32.106 10.741 ( -33.118 7.524 -1.728) 34.006 11.823 ( 22.267 -17.373 2.178) 28.326 12.001 ( 22.081 -17.245 -2.302) 28.112 12.515 ( 1.708 16.333 2.451) 16.604 12.706 ( 0.698 15.364 -2.372) 15.562 14.219 ( 2.763 -8.740 1.424) 9.276 14.342 ( 1.291 -11.124 -1.678) 11.324 14.841 ( -10.699 11.947 1.703) 16.128 14.962 ( -11.830 7.909 -1.348) 14.294 15.642 ( 21.584 9.982 2.093) 23.872 15.821 ( 19.435 11.517 -2.442) 22.722 17.190 ( 5.054 -1.459 3.987) 6.601 17.437 ( 7.489 13.624 6.058) 16.685 17.459 ( 7.195 2.979 -0.262) 7.792 17.897 ( 25.011 23.019 4.722) 34.318 17.924 ( 9.399 14.921 -3.875) 18.055 18.138 ( -4.989 -4.475 0.731) 6.741 18.237 ( -1.556 -2.272 -1.484) 3.128 18.615 ( -3.524 -3.286 -10.827) 11.851 19.975 ( -10.493 -3.343 0.276) 11.016 20.055 ( -3.208 -2.541 -0.836) 4.177 20.175 ( -15.087 -18.603 0.974) 23.971 20.467 ( -4.012 -6.994 -9.397) 12.382 21.354 ( -1.304 -1.157 0.419) 1.793 21.387 ( -0.690 -0.400 -0.557) 0.973 21.450 ( -2.035 -1.963 0.871) 2.959 21.519 ( -1.405 -2.045 -1.298) 2.801 21.695 ( 0.146 -2.792 9.315) 9.725 22.038 ( -3.674 -1.062 -2.093) 4.359======================= Grid point 174 (30/57) =======================q-point: ( 0.33 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.511 ( 3.346 21.437 3.962) 22.056 2.554 ( -3.399 15.381 7.243) 17.338 2.698 ( 3.030 14.942 -0.213) 15.248 3.244 ( 8.369 14.157 -10.800) 19.675 3.340 ( -7.218 3.746 -1.054) 8.200 3.556 ( -1.004 -0.104 -5.189) 5.287 3.926 ( 2.291 0.600 8.199) 8.535 4.230 ( 2.935 2.109 -0.276) 3.625 4.547 ( 17.581 6.101 -0.647) 18.621 4.651 ( 4.297 1.769 -2.066) 5.085 5.394 ( -18.759 -8.709 6.129) 21.571 5.801 ( -12.016 -6.405 -4.370) 14.300 6.625 ( 34.664 17.005 0.851) 38.620 6.630 ( 43.313 26.444 0.666) 50.752 7.391 ( 6.018 -5.312 2.737) 8.481 7.625 ( 3.901 -3.367 -3.118) 6.023 7.728 ( 9.095 6.346 1.753) 11.228 7.880 ( 8.190 8.045 -2.070) 11.665 8.764 ( -9.932 -12.901 1.979) 16.401 8.961 ( -8.957 -7.661 -3.957) 12.432 9.082 ( -8.024 -7.043 2.613) 10.991 9.188 ( -10.020 -7.420 -1.047) 12.512 9.453 ( -3.840 -13.934 1.611) 14.543 9.573 ( -4.428 -12.888 -1.401) 13.699 10.153 ( -30.365 10.531 1.484) 32.173 10.263 ( -31.854 10.747 -1.286) 33.642 12.001 ( 18.586 -17.759 2.333) 25.812 12.188 ( 19.365 -17.424 -2.414) 26.162 12.669 ( -0.969 13.606 2.470) 13.862 12.847 ( -1.397 14.156 -2.038) 14.370 14.184 ( 4.059 -10.246 0.900) 11.057 14.260 ( 3.200 -13.058 -1.002) 13.482 14.780 ( -10.640 13.075 0.930) 16.883 14.850 ( -11.531 10.389 -0.814) 15.542 16.091 ( 18.178 10.200 1.812) 20.923 16.241 ( 16.038 10.453 -1.930) 19.241 17.265 ( 6.871 -4.798 4.445) 9.486 17.536 ( 4.748 -4.626 -2.443) 7.065 17.647 ( 0.680 13.873 7.230) 15.659 17.992 ( -5.898 -4.677 1.815) 7.743 18.172 ( 3.494 5.296 -4.850) 7.986 18.278 ( 7.281 10.716 -5.357) 14.020 18.455 ( -3.899 -5.165 2.134) 6.814 18.539 ( 17.986 15.636 0.213) 23.833 19.555 ( -20.294 -17.322 0.737) 26.691 19.780 ( -13.018 -1.985 -4.060) 13.780 20.046 ( -1.422 -4.277 3.447) 5.674 20.452 ( 4.894 -4.623 -9.115) 11.331 21.325 ( -0.944 -0.712 0.626) 1.338 21.375 ( -0.307 -0.099 -0.856) 0.915 21.398 ( -1.914 -1.365 0.814) 2.488 21.474 ( -1.420 -1.859 -2.119) 3.156 21.672 ( 0.134 -2.191 8.358) 8.642 21.979 ( -2.658 0.034 -1.871) 3.250======================= Grid point 175 (31/57) =======================q-point: ( 0.42 0.08 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.578 ( -7.680 13.807 9.505) 18.438 2.691 ( -9.039 23.284 3.881) 25.276 2.904 ( 4.925 13.202 1.272) 14.148 3.123 ( -12.900 1.148 0.627) 12.966 3.520 ( 3.001 2.467 -13.726) 14.266 3.561 ( 2.525 -0.023 -12.777) 13.024 4.057 ( 6.260 7.975 9.363) 13.800 4.278 ( 0.341 2.007 0.281) 2.055 4.746 ( 4.548 3.775 3.126) 6.686 4.908 ( 13.760 7.006 -2.289) 15.610 4.983 ( -17.467 -6.970 7.911) 20.402 5.509 ( -12.186 -6.090 -5.258) 14.603 7.297 ( 24.903 4.574 3.054) 25.503 7.449 ( 9.354 -3.816 2.558) 10.421 7.535 ( 32.768 11.923 -2.722) 34.976 7.663 ( 7.570 -2.306 -2.740) 8.374 7.834 ( -5.096 -0.269 2.248) 5.576 8.025 ( -1.710 0.073 -2.553) 3.074 8.553 ( 5.048 -10.037 1.640) 11.355 8.688 ( -6.779 -12.656 -2.557) 14.583 8.787 ( -7.674 -21.944 2.184) 23.350 8.901 ( -5.030 -18.278 -1.493) 19.016 9.395 ( -7.434 18.533 1.531) 20.027 9.496 ( -8.845 17.902 -1.045) 19.995 9.811 ( -18.913 8.823 1.474) 20.922 9.925 ( -16.655 7.776 -1.400) 18.434 12.099 ( 14.013 -19.084 2.596) 23.818 12.301 ( 14.653 -19.258 -2.542) 24.332 12.749 ( -3.926 10.970 2.527) 11.923 12.929 ( -4.367 12.072 -2.039) 12.998 14.159 ( 5.316 -10.646 0.534) 11.911 14.204 ( 5.701 -13.151 -0.567) 14.344 14.743 ( -9.686 14.791 0.510) 17.688 14.784 ( -9.607 13.156 -0.512) 16.298 16.409 ( 7.744 5.727 1.488) 9.746 16.528 ( 6.523 5.808 -1.487) 8.860 17.308 ( 5.954 -8.851 4.368) 11.527 17.522 ( 2.504 -7.985 -1.564) 8.513 17.737 ( -4.563 9.951 5.708) 12.346 17.905 ( -1.519 1.987 4.827) 5.437 18.261 ( 1.339 -2.454 -1.099) 3.003 18.306 ( 0.444 -2.850 -0.168) 2.890 18.555 ( 6.887 15.598 -8.198) 18.920 18.816 ( -3.420 -0.545 -10.990) 11.522 19.186 ( -5.294 -2.358 9.010) 10.713 19.594 ( -6.250 -0.384 -3.963) 7.411 19.974 ( -0.514 -5.017 5.983) 7.825 20.487 ( 4.449 -5.455 -8.342) 10.915 21.309 ( -0.503 -0.098 0.874) 1.013 21.365 ( -0.748 -0.466 0.630) 1.083 21.374 ( -0.031 0.165 -0.823) 0.840 21.440 ( -0.590 -1.089 -2.784) 3.047 21.659 ( 0.512 -1.625 7.974) 8.154 21.949 ( -1.381 0.827 -1.743) 2.372======================= Grid point 184 (32/57) =======================q-point: ( 0.17 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.069 ( 15.175 26.284 7.102) 31.170 2.479 ( 16.073 27.839 4.630) 32.477 2.585 ( 0.112 0.194 -6.434) 6.438 2.959 ( 13.195 22.855 -9.088) 27.912 3.470 ( -0.435 -0.754 7.287) 7.339 3.730 ( 6.113 10.587 1.058) 12.271 3.831 ( -0.718 -1.244 -3.548) 3.828 3.999 ( 2.043 3.539 -4.692) 6.222 4.107 ( 3.649 6.320 7.676) 10.591 4.570 ( 0.056 0.097 -4.895) 4.897 5.448 ( 21.801 37.761 4.840) 43.871 5.733 ( 13.423 23.249 -2.343) 26.947 5.822 ( -5.153 -8.925 3.238) 10.803 6.057 ( -2.814 -4.874 -2.685) 6.235 7.298 ( -1.115 -1.931 3.303) 3.985 7.454 ( 5.278 9.141 2.265) 10.796 7.571 ( -0.484 -0.838 -3.507) 3.638 7.633 ( 5.364 9.290 -2.214) 10.953 9.036 ( -5.104 -8.840 1.293) 10.289 9.146 ( -2.613 -4.526 -1.811) 5.531 9.411 ( -3.095 -5.361 2.732) 6.766 9.568 ( -10.588 -18.339 1.312) 21.217 9.593 ( -4.958 -8.587 -2.114) 10.138 9.672 ( -10.064 -17.432 -1.278) 20.169 11.183 ( -1.374 -2.380 2.032) 3.418 11.264 ( -3.834 -6.641 2.275) 7.998 11.353 ( -2.726 -4.722 -2.212) 5.884 11.436 ( -3.298 -5.712 -1.997) 6.891 12.584 ( 7.014 12.149 2.382) 14.229 12.779 ( 6.336 10.974 -2.522) 12.920 14.146 ( -2.986 -5.172 1.426) 6.140 14.269 ( -4.592 -7.954 -1.645) 9.331 15.062 ( 0.911 1.578 1.162) 2.161 15.144 ( -0.724 -1.255 -0.903) 1.707 15.440 ( 11.918 20.642 2.853) 24.006 15.675 ( 11.483 19.890 -3.097) 23.175 17.144 ( 0.034 0.059 3.107) 3.108 17.390 ( 1.373 2.379 -2.937) 4.021 17.448 ( 12.800 22.170 10.442) 27.648 17.799 ( 15.167 26.270 4.314) 30.639 17.920 ( 9.488 16.434 -3.427) 19.284 18.159 ( -3.073 -5.322 0.743) 6.190 18.239 ( -1.828 -3.166 -1.318) 3.886 18.628 ( -1.821 -3.153 -13.434) 13.919 20.060 ( -0.258 -0.447 0.495) 0.715 20.095 ( 0.538 0.932 -0.385) 1.143 20.162 ( -13.503 -23.387 0.867) 27.019 20.486 ( -9.989 -17.301 -10.447) 22.544 21.360 ( -0.908 -1.573 0.480) 1.878 21.392 ( -0.419 -0.725 -0.421) 0.937 21.457 ( -1.344 -2.327 0.851) 2.819 21.518 ( -1.332 -2.306 -0.675) 2.748 21.675 ( -0.940 -1.629 10.236) 10.408 22.068 ( -1.604 -2.778 -2.535) 4.089======================= Grid point 185 (33/57) =======================q-point: ( 0.25 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.596 ( 13.319 25.277 1.511) 28.611 2.638 ( 2.956 7.735 0.948) 8.335 2.895 ( 3.243 20.128 3.608) 20.705 3.290 ( 4.568 10.261 -7.443) 13.474 3.543 ( -2.358 19.605 2.040) 19.852 3.733 ( -12.463 12.165 -2.909) 17.657 3.867 ( 4.077 -1.870 3.481) 5.678 4.147 ( 12.261 0.664 -3.356) 12.730 4.278 ( 13.621 2.460 4.345) 14.507 4.597 ( 2.746 0.855 -3.654) 4.650 5.589 ( -12.252 -8.467 4.664) 15.606 5.912 ( -7.740 -6.306 -3.583) 10.608 6.265 ( 30.740 31.852 0.880) 44.275 6.277 ( 24.123 19.565 0.675) 31.067 7.254 ( 1.367 -6.491 3.508) 7.504 7.543 ( 0.509 -4.023 -3.697) 5.487 7.657 ( 7.483 8.981 2.228) 11.900 7.837 ( 6.955 9.612 -2.257) 12.077 8.814 ( -8.904 -11.614 2.009) 14.771 9.010 ( -6.537 -8.607 -3.304) 11.302 9.120 ( -13.899 -23.303 1.887) 27.199 9.253 ( -13.990 -21.469 -1.616) 25.676 9.419 ( 2.441 3.822 2.018) 4.964 9.540 ( 1.574 1.779 -1.274) 2.696 10.797 ( -32.005 10.861 1.896) 33.851 10.942 ( -33.729 11.099 -1.730) 35.550 11.442 ( 23.710 -21.011 2.252) 31.760 11.618 ( 24.420 -21.343 -2.133) 32.503 12.774 ( 2.676 10.223 2.443) 10.846 12.960 ( 2.582 10.583 -2.222) 11.118 14.060 ( -0.152 -7.040 0.781) 7.085 14.125 ( -1.591 -10.269 -0.838) 10.426 15.058 ( -6.197 9.174 0.520) 11.083 15.096 ( -6.191 5.148 -0.425) 8.063 15.888 ( 17.898 15.204 2.441) 23.610 16.088 ( 15.141 15.472 -2.574) 21.800 17.157 ( 2.073 -1.612 3.716) 4.550 17.428 ( 2.332 -2.530 -2.910) 4.506 17.740 ( 4.789 13.458 7.442) 16.107 18.031 ( -4.820 -6.144 1.408) 7.934 18.182 ( -0.735 0.120 -2.839) 2.935 18.261 ( 9.864 15.641 -5.144) 19.194 18.376 ( 16.455 20.913 2.831) 26.761 18.511 ( -3.275 -4.277 -0.094) 5.388 19.674 ( -15.907 -21.162 1.431) 26.512 20.009 ( -10.310 -0.630 -2.631) 10.659 20.026 ( -4.399 -3.499 0.276) 5.628 20.285 ( 4.501 -11.328 -10.817) 16.297 21.332 ( -0.791 -0.964 0.665) 1.413 21.379 ( -0.332 -0.280 -0.707) 0.830 21.412 ( -1.484 -1.822 0.866) 2.504 21.475 ( -1.124 -2.141 -0.898) 2.579 21.650 ( -0.174 -1.724 8.780) 8.949 22.018 ( -2.022 -1.111 -2.565) 3.450======================= Grid point 186 (34/57) =======================q-point: ( 0.33 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.726 ( 0.882 6.749 5.845) 8.972 2.998 ( -0.991 10.775 2.515) 11.109 3.056 ( 2.532 23.423 1.239) 23.592 3.409 ( 0.317 9.025 -5.087) 10.364 3.601 ( -8.958 10.521 -7.875) 15.905 3.629 ( -14.486 15.712 -5.095) 21.970 4.037 ( 7.769 12.987 9.260) 17.742 4.286 ( 2.476 3.450 0.814) 4.324 4.660 ( 19.399 4.849 -1.962) 20.092 4.686 ( 9.242 2.125 -1.334) 9.576 5.248 ( -18.514 -5.712 6.515) 20.441 5.663 ( -12.672 -7.940 -4.291) 15.558 6.884 ( 28.653 9.418 2.747) 30.286 7.079 ( 33.320 18.162 -2.210) 38.013 7.234 ( 6.362 -9.090 3.593) 11.662 7.521 ( 3.327 -6.557 -3.646) 8.207 7.849 ( 4.378 4.959 1.989) 6.908 8.022 ( 3.871 4.889 -2.427) 6.691 8.501 ( -11.533 -15.459 3.011) 19.521 8.656 ( -8.611 -22.305 0.990) 23.930 8.754 ( -12.183 -19.062 -1.789) 22.693 8.843 ( -6.665 -14.881 -2.349) 16.474 9.594 ( 4.151 19.202 1.434) 19.697 9.691 ( 4.178 17.720 -1.074) 18.238 10.356 ( -30.945 9.479 1.557) 32.402 10.472 ( -32.769 9.844 -1.351) 34.242 11.602 ( 19.711 -22.521 2.438) 30.028 11.789 ( 20.638 -22.962 -2.246) 30.955 12.883 ( -0.534 8.313 2.612) 8.730 13.076 ( -0.573 9.229 -2.212) 9.508 14.002 ( 2.035 -7.778 0.202) 8.042 14.020 ( 1.604 -10.718 -0.224) 10.839 15.045 ( -8.045 12.912 0.075) 15.213 15.049 ( -7.347 9.203 -0.035) 11.776 16.302 ( 13.779 11.357 1.907) 17.958 16.458 ( 11.197 11.663 -1.975) 16.288 17.163 ( 2.298 -5.838 3.708) 7.288 17.399 ( 0.982 -8.757 -2.211) 9.085 17.866 ( -4.099 1.549 4.067) 5.978 17.953 ( 1.912 6.818 6.281) 9.465 18.208 ( 3.029 1.102 -4.658) 5.664 18.305 ( -5.241 -7.263 5.067) 10.290 18.570 ( 7.005 12.178 -7.540) 15.945 18.833 ( 8.089 12.880 -6.864) 16.687 19.279 ( -9.826 -7.737 6.826) 14.248 19.763 ( -13.697 -0.047 -5.464) 14.747 19.926 ( -1.837 -7.914 3.548) 8.865 20.301 ( 7.757 -10.438 -8.089) 15.315 21.316 ( -0.455 -0.154 0.815) 0.946 21.374 ( -1.116 -1.066 0.824) 1.749 21.376 ( -0.034 0.199 -0.840) 0.864 21.439 ( -0.830 -1.562 -1.355) 2.228 21.634 ( 0.246 -1.570 7.994) 8.151 21.981 ( -1.573 0.030 -2.500) 2.954======================= Grid point 187 (35/57) =======================q-point: ( 0.42 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.770 ( -3.344 5.792 7.747) 10.234 3.014 ( -0.192 0.332 4.293) 4.310 3.226 ( -14.793 25.622 1.451) 29.621 3.488 ( 1.469 -2.544 -9.131) 9.592 3.518 ( -17.332 30.019 -3.417) 34.831 3.589 ( -4.028 6.978 -8.871) 11.983 4.212 ( -3.419 5.922 5.687) 8.893 4.323 ( -1.340 2.322 1.650) 3.148 4.801 ( 2.155 -3.733 0.615) 4.354 4.960 ( -5.694 9.862 8.459) 14.186 4.978 ( 1.320 -2.286 -2.949) 3.958 5.434 ( 0.338 -0.585 -4.498) 4.548 7.171 ( 6.458 -11.185 3.852) 13.478 7.374 ( 5.531 -9.579 3.233) 11.524 7.487 ( 4.594 -7.957 -4.020) 10.029 7.661 ( 5.139 -8.900 -4.136) 11.078 7.807 ( 1.200 -2.078 1.824) 3.014 7.958 ( 1.303 -2.257 -2.053) 3.317 8.329 ( 6.563 -11.368 2.479) 13.358 8.453 ( 3.959 -6.857 3.522) 8.665 8.509 ( 2.649 -4.589 -2.117) 5.706 8.697 ( 2.538 -4.395 -2.817) 5.805 9.867 ( -13.077 22.650 1.316) 26.187 9.958 ( -13.402 23.213 -0.968) 26.822 9.996 ( -7.670 13.285 1.274) 15.393 10.097 ( -7.443 12.891 -1.243) 14.937 11.661 ( 14.517 -25.145 2.540) 29.146 11.854 ( 14.995 -25.973 -2.310) 30.080 12.919 ( -3.688 6.388 2.695) 7.854 13.117 ( -4.142 7.174 -2.250) 8.584 13.979 ( 5.325 -9.223 0.012) 10.649 13.981 ( 4.147 -7.184 -0.035) 8.295 15.031 ( -6.474 11.213 0.120) 12.949 15.040 ( -8.276 14.334 -0.087) 16.552 16.500 ( -1.958 3.391 1.597) 4.229 16.630 ( -2.609 4.518 -1.653) 5.473 17.139 ( 4.638 -8.034 3.408) 9.883 17.344 ( 5.281 -9.148 -1.899) 10.732 17.818 ( -0.832 1.441 4.080) 4.406 18.057 ( -5.351 9.268 6.824) 12.692 18.156 ( 3.242 -5.616 5.217) 8.322 18.295 ( -0.001 0.002 -4.063) 4.063 18.675 ( 3.016 -5.225 -9.638) 11.370 18.920 ( -7.990 13.840 -10.887) 19.337 19.225 ( -2.501 4.332 8.078) 9.502 19.626 ( -2.302 3.987 -3.839) 5.995 19.854 ( 3.828 -6.631 5.601) 9.487 20.318 ( 6.582 -11.401 -7.640) 15.221 21.312 ( -0.229 0.396 0.915) 1.023 21.358 ( 0.142 -0.247 0.762) 0.813 21.378 ( -0.171 0.297 -0.742) 0.817 21.423 ( 0.389 -0.674 -1.688) 1.859 21.629 ( 0.742 -1.285 7.746) 7.887 21.967 ( -0.511 0.885 -2.467) 2.670======================= Grid point 198 (36/57) =======================q-point: ( 0.25 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.749 ( 3.299 5.715 4.036) 7.735 3.053 ( -0.020 -0.034 3.523) 3.523 3.127 ( 13.772 23.855 -5.595) 28.107 3.402 ( 1.819 3.150 -5.354) 6.473 3.788 ( -0.262 -0.454 5.430) 5.456 4.048 ( 12.173 21.084 1.633) 24.401 4.168 ( 11.783 20.408 -1.437) 23.609 4.179 ( 5.166 8.947 -5.286) 11.605 4.334 ( 2.984 5.169 4.615) 7.545 4.615 ( 0.683 1.184 -3.125) 3.411 5.402 ( -6.005 -10.401 4.970) 12.998 5.741 ( -6.576 -11.389 -3.658) 13.651 6.650 ( 11.153 19.317 3.046) 22.512 6.866 ( 16.255 28.155 -2.457) 32.603 7.124 ( -3.203 -5.547 4.262) 7.694 7.455 ( -2.529 -4.381 -4.082) 6.500 7.831 ( 4.279 7.411 2.108) 8.813 8.011 ( 3.752 6.498 -2.503) 7.910 8.561 ( -16.551 -28.668 2.861) 33.226 8.586 ( -6.543 -11.333 2.746) 13.371 8.769 ( -13.824 -23.944 -2.439) 27.756 8.828 ( -5.505 -9.534 -3.319) 11.499 9.652 ( 9.735 16.862 1.311) 19.514 9.741 ( 9.295 16.099 -0.983) 18.615 10.938 ( -5.247 -9.088 1.903) 10.665 11.054 ( -3.571 -6.186 2.251) 7.489 11.083 ( -5.280 -9.145 -1.714) 10.698 11.223 ( -3.956 -6.852 -1.956) 8.151 12.929 ( 3.288 5.696 2.665) 7.096 13.127 ( 3.702 6.413 -2.292) 7.752 13.946 ( -2.630 -4.556 0.056) 5.261 13.951 ( -4.134 -7.160 -0.080) 8.268 15.167 ( 1.315 2.277 0.365) 2.655 15.196 ( 2.851 4.939 -0.348) 5.713 16.223 ( 10.352 17.931 2.327) 20.835 16.411 ( 9.604 16.635 -2.369) 19.354 17.116 ( -1.876 -3.250 3.325) 5.014 17.344 ( -3.568 -6.180 -2.328) 7.506 17.913 ( -2.919 -5.055 2.603) 6.391 17.963 ( 4.892 8.474 7.546) 12.356 18.188 ( 1.266 2.193 -4.312) 5.000 18.318 ( -4.468 -7.739 5.212) 10.345 18.568 ( 6.276 10.870 -7.434) 14.587 18.824 ( 10.408 18.027 -4.479) 21.292 19.328 ( -6.238 -10.804 6.391) 14.017 19.897 ( -4.476 -7.753 2.075) 9.189 20.025 ( -5.157 -8.932 -12.703) 16.362 20.044 ( -2.114 -3.661 -1.631) 4.531 21.320 ( -0.164 -0.284 0.815) 0.879 21.378 ( 0.070 0.121 -0.819) 0.831 21.379 ( -0.876 -1.517 0.865) 1.954 21.439 ( -0.901 -1.561 -0.632) 1.910 21.624 ( -0.569 -0.985 7.896) 7.978 21.995 ( -0.614 -1.064 -2.831) 3.086======================= Grid point 199 (37/57) =======================q-point: ( 0.33 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.844 ( 0.778 5.389 5.540) 7.768 3.014 ( -1.280 -2.502 3.986) 4.877 3.428 ( 2.786 6.027 -12.353) 14.024 3.443 ( 1.674 -0.233 -7.744) 7.926 3.846 ( -5.185 20.572 9.644) 23.304 4.212 ( -16.916 31.986 -3.057) 36.313 4.302 ( -1.304 8.792 4.619) 10.017 4.356 ( 0.954 3.467 3.255) 4.851 4.666 ( 6.584 -3.457 -1.663) 7.621 4.765 ( 23.940 3.284 -2.864) 24.333 5.208 ( -9.990 2.508 3.700) 10.944 5.471 ( -9.468 -11.698 -2.925) 15.331 6.976 ( 6.513 -2.620 4.379) 8.274 7.121 ( 13.943 4.022 3.572) 14.944 7.334 ( 8.637 2.181 -4.323) 9.902 7.436 ( 10.681 4.520 -4.141) 12.315 7.774 ( -9.357 -18.173 1.835) 20.522 7.953 ( -7.580 -13.056 -3.337) 15.461 8.208 ( 0.135 -4.002 4.462) 5.995 8.393 ( -3.951 -8.138 3.587) 9.732 8.479 ( -1.318 -2.766 -2.913) 4.228 8.661 ( -3.597 -6.930 -3.138) 8.415 10.044 ( 11.169 25.073 1.260) 27.477 10.137 ( 11.843 26.089 -1.089) 28.672 10.508 ( -31.064 5.677 1.680) 31.623 10.632 ( -33.254 6.036 -1.424) 33.827 11.125 ( 18.145 -25.580 2.238) 31.442 11.292 ( 19.293 -27.149 -1.948) 33.363 13.003 ( -0.137 3.985 2.848) 4.900 13.213 ( -0.139 4.674 -2.388) 5.250 13.852 ( 0.414 -5.979 0.359) 6.004 13.884 ( 0.526 -4.168 -0.420) 4.222 15.194 ( -2.285 5.225 0.840) 5.764 15.259 ( -2.856 8.119 -0.772) 8.641 16.540 ( 6.382 12.766 1.976) 14.408 16.700 ( 4.886 12.866 -2.007) 13.907 17.016 ( -1.259 -9.422 2.654) 9.869 17.199 ( -1.367 -11.409 -1.952) 11.656 17.853 ( -1.610 0.884 4.263) 4.642 18.040 ( 1.923 -4.168 5.820) 7.412 18.218 ( -3.380 4.444 5.197) 7.627 18.285 ( 3.909 3.914 -1.776) 5.810 18.588 ( -1.971 -8.204 -8.727) 12.139 19.116 ( 3.696 15.776 -11.070) 19.624 19.316 ( 0.652 8.594 7.473) 11.407 19.739 ( -2.029 -9.867 3.448) 10.647 19.775 ( -11.589 0.410 -4.732) 12.525 20.059 ( 8.406 -13.396 -5.572) 16.768 21.320 ( -0.040 0.538 0.887) 1.038 21.354 ( -0.402 -0.990 0.858) 1.370 21.383 ( 0.119 0.536 -0.756) 0.934 21.414 ( -0.368 -1.038 -0.767) 1.343 21.611 ( 0.075 -0.816 7.426) 7.471 21.980 ( -0.449 -0.104 -2.936) 2.972======================= Grid point 211 (38/57) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.942 ( -2.263 -3.919 4.637) 6.480 2.942 ( 2.263 3.919 4.637) 6.480 3.447 ( -0.370 -0.640 -9.696) 9.724 3.447 ( 0.370 0.640 -9.696) 9.724 4.253 ( -7.760 -13.440 9.013) 17.947 4.253 ( 7.760 13.440 9.013) 17.947 4.363 ( -0.000 -0.000 3.202) 3.202 4.605 ( -0.000 -0.000 -2.838) 2.838 4.712 ( -6.534 -11.317 -4.191) 13.723 4.712 ( 6.534 11.317 -4.191) 13.723 5.267 ( -0.000 -0.000 0.337) 0.337 5.293 ( -0.000 -0.000 -0.317) 0.317 6.920 ( -0.000 -0.000 4.752) 4.752 7.304 ( -0.000 -0.000 -4.773) 4.773 7.357 ( -9.187 -15.913 3.351) 18.677 7.357 ( 9.187 15.913 3.351) 18.677 7.655 ( -7.045 -12.202 -4.481) 14.785 7.655 ( 7.045 12.202 -4.481) 14.785 8.261 ( -2.777 -4.810 4.241) 6.989 8.261 ( 2.777 4.810 4.241) 6.989 8.538 ( -2.778 -4.812 -3.090) 6.358 8.538 ( 2.778 4.812 -3.090) 6.358 10.447 ( 0.000 0.000 1.594) 1.594 10.568 ( -0.000 -0.000 -1.430) 1.430 10.641 ( -8.905 -15.424 1.796) 17.900 10.641 ( 8.905 15.424 1.796) 17.900 10.773 ( -9.583 -16.598 -1.493) 19.224 10.773 ( 9.583 16.598 -1.493) 19.224 13.042 ( -0.000 -0.000 2.950) 2.950 13.259 ( -0.000 -0.000 -2.465) 2.465 13.792 ( -0.000 -0.000 0.571) 0.571 13.842 ( -0.000 -0.000 -0.667) 0.667 15.247 ( -0.000 -0.000 1.232) 1.232 15.342 ( -0.000 -0.000 -1.143) 1.143 16.795 ( -6.295 -10.904 2.100) 12.764 16.795 ( 6.295 10.904 2.100) 12.764 16.957 ( -6.457 -11.185 -1.948) 13.061 16.957 ( 6.457 11.185 -1.948) 13.061 17.920 ( -2.784 -4.823 5.177) 7.604 17.920 ( 2.784 4.823 5.177) 7.604 18.292 ( -0.000 -0.000 11.046) 11.046 18.403 ( -4.296 -7.441 -7.278) 11.260 18.403 ( 4.296 7.441 -7.278) 11.260 19.318 ( -0.000 -0.000 -15.388) 15.388 19.520 ( -5.710 -9.891 5.008) 12.471 19.520 ( 5.710 9.891 5.008) 12.471 19.836 ( -3.517 -6.092 -3.304) 7.772 19.836 ( 3.517 6.092 -3.304) 7.772 21.335 ( -0.454 -0.787 0.882) 1.266 21.335 ( 0.454 0.787 0.882) 1.266 21.397 ( -0.388 -0.672 -0.654) 1.015 21.397 ( 0.388 0.672 -0.654) 1.015 21.603 ( -0.000 -0.000 7.207) 7.207 21.979 ( -0.000 -0.000 -3.085) 3.085======================= Grid point 314 (39/57) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.030 ( 0.000 -0.000 26.510) 26.510 1.030 ( -0.000 0.000 26.510) 26.510 1.487 ( 0.000 0.000 -22.794) 22.794 1.487 ( 0.000 0.000 -22.794) 22.794 1.945 ( 0.000 0.000 48.642) 48.642 2.764 ( 0.000 -0.000 -39.548) 39.548 3.797 ( -0.000 0.000 11.175) 11.175 3.797 ( 0.000 -0.000 11.175) 11.175 3.987 ( 0.000 -0.000 -9.080) 9.080 3.987 ( 0.000 0.000 -9.080) 9.080 6.089 ( 0.000 -0.000 1.063) 1.063 6.109 ( 0.000 -0.000 -1.059) 1.059 6.242 ( 0.000 -0.000 5.249) 5.249 6.318 ( -0.000 0.000 -2.963) 2.963 7.196 ( 0.000 -0.000 3.361) 3.361 7.196 ( 0.000 0.000 3.361) 3.361 7.260 ( 0.000 0.000 -3.410) 3.410 7.260 ( 0.000 0.000 -3.410) 3.410 9.519 ( -0.000 0.000 5.099) 5.099 9.617 ( 0.000 -0.000 -5.202) 5.202 10.065 ( 0.000 0.000 2.747) 2.747 10.065 ( -0.000 0.000 2.747) 2.747 10.116 ( 0.000 0.000 -2.623) 2.623 10.116 ( -0.000 0.000 -2.623) 2.623 10.135 ( 0.000 0.000 3.559) 3.559 10.201 ( -0.000 0.000 -3.321) 3.321 11.817 ( 0.000 -0.000 1.120) 1.120 11.817 ( 0.000 -0.000 1.120) 1.120 11.838 ( 0.000 0.000 -1.101) 1.101 11.838 ( 0.000 -0.000 -1.101) 1.101 14.494 ( -0.000 -0.000 3.285) 3.285 14.494 ( 0.000 -0.000 3.285) 3.285 14.563 ( -0.000 0.000 -3.994) 3.994 14.563 ( 0.000 0.000 -3.994) 3.994 15.117 ( -0.000 -0.000 5.065) 5.065 15.117 ( 0.000 0.000 5.065) 5.065 15.205 ( 0.000 0.000 -4.297) 4.297 15.205 ( -0.000 0.000 -4.297) 4.297 17.190 ( 0.000 -0.000 0.894) 0.894 17.190 ( 0.000 0.000 0.894) 0.894 17.208 ( 0.000 0.000 -1.009) 1.009 17.208 ( 0.000 0.000 -1.009) 1.009 18.305 ( 0.000 0.000 1.339) 1.339 18.331 ( 0.000 0.000 -1.364) 1.364 19.937 ( -0.000 0.000 0.786) 0.786 19.951 ( 0.000 0.000 -0.761) 0.761 21.430 ( -0.000 0.000 0.446) 0.446 21.439 ( -0.000 0.000 -0.464) 0.464 21.596 ( 0.000 -0.000 1.182) 1.182 21.596 ( 0.000 -0.000 1.182) 1.182 21.618 ( 0.000 0.000 -1.137) 1.137 21.618 ( 0.000 0.000 -1.137) 1.137 22.534 ( 0.000 0.000 0.863) 0.863 22.550 ( 0.000 0.000 -0.847) 0.847======================= Grid point 315 (40/57) =======================q-point: ( 0.08 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.232 ( 16.185 9.344 21.632) 28.587 1.497 ( 22.126 12.775 24.385) 35.319 1.627 ( 11.926 6.885 -19.789) 24.109 1.922 ( 27.569 15.917 -21.569) 38.453 2.138 ( 23.796 13.739 35.706) 45.055 2.787 ( 5.767 3.329 -32.212) 32.893 3.776 ( -1.562 -0.902 10.125) 10.284 3.886 ( 5.313 3.068 11.235) 12.801 3.957 ( -0.921 -0.532 -6.744) 6.827 4.124 ( 9.639 5.565 -11.685) 16.138 5.638 ( -35.711 -20.618 13.690) 43.449 5.796 ( -27.936 -16.129 -4.402) 32.556 6.087 ( -0.318 -0.184 1.362) 1.410 6.113 ( 0.193 0.112 -1.360) 1.378 7.216 ( 1.945 1.123 3.307) 3.997 7.264 ( 2.233 1.289 1.382) 2.925 7.292 ( 3.451 1.992 -0.716) 4.049 7.343 ( 4.899 2.828 -3.030) 6.417 9.420 ( -5.649 -3.262 1.851) 6.781 9.445 ( -6.955 -4.016 -0.648) 8.057 9.989 ( -5.975 -3.449 5.046) 8.547 10.050 ( -1.331 -0.769 2.504) 2.939 10.088 ( -5.867 -3.387 -5.072) 8.463 10.099 ( -1.360 -0.785 -2.484) 2.939 10.688 ( 30.969 17.880 11.373) 37.525 10.975 ( 31.689 18.296 -20.338) 41.864 11.771 ( -2.110 -1.218 1.895) 3.086 11.814 ( 1.219 0.704 -2.838) 3.168 11.872 ( 4.837 2.793 0.729) 5.633 11.890 ( 4.472 2.582 -1.067) 5.273 14.465 ( -1.953 -1.128 3.476) 4.144 14.535 ( -1.648 -0.951 -3.599) 4.071 14.582 ( 6.685 3.860 3.123) 8.327 14.654 ( 7.385 4.264 -4.269) 9.536 15.120 ( 0.605 0.349 4.614) 4.666 15.200 ( -0.069 -0.040 -3.946) 3.947 15.572 ( 36.849 21.275 16.199) 45.529 16.020 ( 58.688 33.884 -36.274) 76.865 17.192 ( 0.289 0.167 1.397) 1.436 17.219 ( 1.083 0.625 -1.493) 1.948 17.236 ( 3.882 2.242 1.331) 4.677 17.264 ( 4.732 2.732 -1.668) 5.713 18.303 ( -0.248 -0.143 1.216) 1.249 18.327 ( -0.405 -0.234 -1.269) 1.352 19.960 ( 1.936 1.118 0.670) 2.333 19.972 ( 1.758 1.015 -0.643) 2.130 21.423 ( -1.123 -0.649 0.356) 1.345 21.430 ( -0.974 -0.563 -0.410) 1.198 21.488 ( -10.265 -5.926 1.637) 11.965 21.514 ( -9.699 -5.600 -1.157) 11.259 21.584 ( -0.994 -0.574 1.184) 1.649 21.606 ( -1.006 -0.581 -1.100) 1.599 22.300 ( -16.599 -9.583 7.972) 20.758 22.383 ( -11.106 -6.412 -2.276) 13.025======================= Grid point 316 (41/57) =======================q-point: ( 0.17 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.676 ( 21.148 12.210 14.981) 28.649 1.781 ( 9.384 5.418 26.812) 28.919 1.967 ( 16.800 9.699 -15.080) 24.571 2.267 ( 3.736 2.157 -24.899) 25.270 2.977 ( 38.959 22.493 13.231) 46.891 3.243 ( 28.808 16.632 -14.255) 36.190 3.747 ( 0.208 0.120 6.886) 6.890 3.855 ( -1.977 -1.141 -3.216) 3.944 4.099 ( 7.917 4.571 11.738) 14.878 4.337 ( 7.889 4.555 -12.276) 15.286 5.091 ( -10.743 -6.202 14.290) 18.923 5.316 ( -10.546 -6.088 -9.689) 15.561 6.059 ( -2.641 -1.525 2.370) 3.863 6.103 ( -1.477 -0.853 -2.314) 2.874 7.290 ( 4.663 2.692 2.873) 6.103 7.325 ( 3.304 1.907 1.496) 4.098 7.380 ( 4.258 2.459 0.312) 4.927 7.443 ( 3.765 2.174 -4.082) 5.964 9.283 ( -6.337 -3.659 0.242) 7.321 9.284 ( -7.446 -4.299 0.206) 8.600 9.793 ( -11.089 -6.402 4.883) 13.704 9.886 ( -11.290 -6.518 -4.857) 13.912 10.016 ( -1.961 -1.132 2.246) 3.189 10.058 ( -2.203 -1.272 -2.170) 3.343 11.002 ( -5.255 -3.034 6.092) 8.598 11.119 ( -11.198 -6.465 -6.190) 14.335 11.882 ( 12.264 7.080 5.931) 15.352 11.970 ( 7.939 4.584 -1.392) 9.273 12.032 ( 7.884 4.552 -0.630) 9.126 12.066 ( 12.213 7.051 -6.254) 15.427 14.420 ( -1.819 -1.050 3.411) 4.006 14.488 ( -2.168 -1.252 -3.763) 4.519 14.740 ( 4.754 2.745 4.363) 7.012 14.825 ( 4.821 2.784 -4.642) 7.249 15.195 ( 7.909 4.566 3.365) 9.732 15.256 ( 7.293 4.211 -3.153) 8.992 16.570 ( 45.727 26.401 29.120) 60.299 17.206 ( 5.738 3.313 -2.085) 6.946 17.265 ( 3.138 1.812 -2.694) 4.515 17.285 ( 41.503 23.962 -41.320) 63.277 17.361 ( 7.136 4.120 2.417) 8.587 17.416 ( 8.786 5.073 -5.718) 11.646 18.286 ( -1.527 -0.881 1.014) 2.033 18.306 ( -1.595 -0.921 -1.142) 2.167 20.016 ( 2.682 1.549 0.437) 3.128 20.023 ( 2.415 1.394 -0.343) 2.810 21.064 ( -23.970 -13.839 4.814) 28.094 21.129 ( -22.861 -13.199 -2.610) 26.526 21.412 ( -0.972 -0.561 0.022) 1.122 21.412 ( -1.290 -0.745 0.011) 1.490 21.552 ( -1.756 -1.014 1.235) 2.374 21.575 ( -1.698 -0.980 -1.073) 2.235 22.016 ( -7.534 -4.350 10.051) 13.293 22.149 ( -8.055 -4.651 -4.784) 10.460======================= Grid point 317 (42/57) =======================q-point: ( 0.25 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 13.488 7.787 16.020) 22.343 2.131 ( 17.593 10.158 10.954) 23.080 2.338 ( 5.093 2.941 -14.673) 15.808 2.355 ( 16.757 9.675 -11.906) 22.719 3.483 ( 4.120 2.378 2.546) 5.395 3.544 ( -2.478 -1.431 -3.770) 4.733 3.906 ( 11.620 6.709 6.193) 14.778 4.026 ( 12.383 7.149 -6.312) 15.630 4.247 ( 6.139 3.545 10.927) 13.025 4.440 ( 2.388 1.379 -9.445) 9.840 5.275 ( 27.603 15.937 10.118) 33.441 5.448 ( 22.968 13.261 -8.103) 27.732 5.945 ( -7.695 -4.443 4.377) 9.905 6.025 ( -5.717 -3.301 -4.059) 7.749 7.404 ( 3.492 2.016 4.185) 5.811 7.427 ( 7.171 4.140 1.781) 8.469 7.504 ( 6.938 4.006 -2.215) 8.312 7.520 ( 3.344 1.930 -3.892) 5.482 9.119 ( -6.676 -3.854 1.450) 7.844 9.144 ( -5.590 -3.228 -1.309) 6.587 9.498 ( -14.394 -8.310 4.686) 17.269 9.586 ( -14.699 -8.486 -4.541) 17.570 9.957 ( -3.462 -1.999 2.009) 4.474 9.995 ( -3.532 -2.039 -1.975) 4.532 10.662 ( -21.253 -12.270 3.094) 24.735 10.721 ( -22.121 -12.772 -3.082) 25.729 12.142 ( 7.422 4.285 1.375) 8.679 12.152 ( 9.880 5.704 1.104) 11.462 12.247 ( 10.404 6.007 2.234) 12.220 12.323 ( 9.774 5.643 -5.039) 12.360 14.387 ( -1.121 -0.647 2.844) 3.125 14.443 ( -1.727 -0.997 -3.107) 3.691 14.751 ( -2.814 -1.625 3.721) 4.941 14.819 ( -3.992 -2.305 -3.484) 5.778 15.503 ( 17.684 10.210 3.035) 20.644 15.562 ( 17.755 10.251 -3.268) 20.761 17.283 ( 4.435 2.561 4.100) 6.560 17.354 ( 7.820 4.515 -0.286) 9.035 17.409 ( 15.519 8.960 16.001) 24.024 17.621 ( 9.795 5.655 -5.995) 12.801 17.656 ( 26.150 15.098 10.228) 31.881 18.062 ( 22.371 12.916 -29.399) 39.135 18.234 ( -1.848 -1.067 -0.409) 2.173 18.252 ( -3.042 -1.756 -1.347) 3.762 20.051 ( -1.802 -1.040 1.172) 2.388 20.062 ( 0.455 0.263 -0.163) 0.550 20.528 ( -19.817 -11.442 -0.074) 22.883 20.546 ( -26.008 -15.015 -1.652) 30.076 21.381 ( -1.424 -0.822 0.352) 1.681 21.388 ( -1.123 -0.648 -0.391) 1.354 21.505 ( -2.359 -1.362 1.327) 3.030 21.530 ( -2.231 -1.288 -1.245) 2.862 21.905 ( -3.218 -1.858 7.764) 8.607 22.016 ( -4.145 -2.393 -4.353) 6.469======================= Grid point 318 (43/57) =======================q-point: ( 0.33 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.340 ( 11.133 6.427 7.173) 14.721 2.418 ( 8.099 4.676 2.738) 9.744 2.541 ( 11.356 6.556 3.263) 13.513 2.724 ( 15.805 9.125 -12.361) 22.043 3.421 ( -6.607 -3.814 1.502) 7.775 3.471 ( -2.419 -1.396 -3.779) 4.699 4.048 ( 2.717 1.569 7.046) 7.713 4.161 ( 2.562 1.479 -4.543) 5.422 4.447 ( 10.644 6.145 3.952) 12.910 4.536 ( 6.125 3.536 -5.058) 8.695 5.691 ( -13.360 -7.713 7.100) 16.982 5.820 ( -10.828 -6.252 -6.543) 14.112 6.150 ( 43.082 24.873 4.002) 49.907 6.214 ( 38.262 22.090 -2.715) 44.264 7.485 ( 3.534 2.040 4.350) 5.964 7.566 ( 3.766 2.174 -4.061) 5.950 7.649 ( 9.078 5.241 1.906) 10.655 7.695 ( 9.587 5.535 -2.748) 11.406 8.986 ( -5.539 -3.198 1.418) 6.551 9.010 ( -8.462 -4.886 -1.103) 9.833 9.191 ( -9.715 -5.609 2.889) 11.584 9.247 ( -13.777 -7.954 -3.072) 16.202 9.853 ( -5.724 -3.305 2.018) 6.911 9.893 ( -5.653 -3.264 -2.163) 6.876 10.106 ( -26.566 -15.338 2.327) 30.764 10.148 ( -27.619 -15.946 -2.124) 31.963 12.301 ( 6.340 3.660 2.771) 7.828 12.347 ( 7.465 4.310 -1.801) 8.806 12.462 ( 8.092 4.672 2.059) 9.568 12.512 ( 6.887 3.976 -2.954) 8.484 14.368 ( -0.591 -0.341 2.171) 2.276 14.411 ( -1.106 -0.638 -2.369) 2.691 14.658 ( -4.690 -2.708 2.277) 5.874 14.699 ( -5.830 -3.366 -2.061) 7.040 15.932 ( 18.905 10.915 2.926) 22.025 15.989 ( 18.593 10.735 -3.068) 21.688 17.406 ( 5.965 3.444 4.980) 8.500 17.494 ( 5.650 3.262 -4.022) 7.664 17.624 ( 6.848 3.954 12.200) 14.539 17.840 ( 8.998 5.195 -10.273) 14.611 18.108 ( -4.731 -2.731 2.131) 5.864 18.154 ( 0.400 0.231 -2.530) 2.572 18.304 ( 19.860 11.466 6.679) 23.885 18.448 ( 8.378 4.837 -7.990) 12.547 19.827 ( -15.190 -8.770 -0.245) 17.541 19.845 ( -21.060 -12.159 -2.081) 24.407 20.190 ( -2.733 -1.578 5.760) 6.568 20.319 ( -0.540 -0.312 -8.379) 8.402 21.351 ( -1.090 -0.629 0.681) 1.431 21.365 ( -0.806 -0.466 -0.771) 1.209 21.448 ( -2.584 -1.492 1.372) 3.284 21.475 ( -2.518 -1.454 -1.522) 3.282 21.849 ( -1.931 -1.115 6.611) 6.977 21.943 ( -2.412 -1.393 -3.746) 4.668======================= Grid point 319 (44/57) =======================q-point: ( 0.42 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.509 ( 3.942 2.276 4.442) 6.360 2.535 ( 2.314 1.336 3.790) 4.637 2.791 ( 10.521 6.074 8.920) 15.072 3.055 ( 12.336 7.122 -17.302) 22.411 3.262 ( -7.347 -4.242 5.861) 10.311 3.404 ( -3.475 -2.006 -9.142) 9.983 4.124 ( 4.380 2.529 7.392) 8.956 4.221 ( 2.611 1.507 -3.142) 4.354 4.701 ( 8.392 4.845 0.332) 9.696 4.717 ( 12.982 7.495 -1.431) 15.058 5.337 ( -16.723 -9.655 10.395) 21.930 5.519 ( -14.672 -8.471 -8.854) 19.116 7.078 ( 35.313 20.388 2.418) 40.847 7.117 ( 39.584 22.854 -1.639) 45.737 7.556 ( 2.431 1.404 3.895) 4.801 7.632 ( 2.128 1.229 -4.126) 4.802 7.855 ( 6.350 3.666 2.849) 7.866 7.910 ( 7.596 4.386 -3.013) 9.274 8.751 ( -9.606 -5.546 1.832) 11.243 8.795 ( -10.087 -5.824 -2.998) 12.027 9.065 ( -2.255 -1.302 2.994) 3.968 9.111 ( -0.039 -0.022 -2.045) 2.046 9.458 ( -27.422 -15.832 0.880) 31.676 9.476 ( -28.438 -16.419 -0.981) 32.852 9.735 ( -5.596 -3.231 2.749) 7.022 9.786 ( -4.875 -2.814 -2.576) 6.190 12.419 ( 3.795 2.191 3.919) 5.879 12.485 ( 4.397 2.538 -2.733) 5.766 12.607 ( 4.504 2.600 0.856) 5.271 12.634 ( 3.760 2.171 -1.781) 4.692 14.358 ( -0.299 -0.173 1.719) 1.753 14.392 ( -0.559 -0.323 -1.872) 1.980 14.562 ( -3.328 -1.921 1.060) 3.986 14.580 ( -4.080 -2.355 -0.933) 4.802 16.313 ( 13.467 7.775 2.499) 15.750 16.361 ( 13.042 7.530 -2.511) 15.268 17.518 ( 2.898 1.673 3.674) 4.970 17.575 ( 0.915 0.528 -2.233) 2.470 17.739 ( 2.987 1.725 13.194) 13.637 17.956 ( -0.467 -0.270 -5.482) 5.508 18.091 ( 5.755 3.322 -1.601) 6.835 18.186 ( 5.439 3.140 -7.686) 9.926 18.496 ( -3.295 -1.902 6.440) 7.480 18.620 ( 4.478 2.585 -6.613) 8.395 19.427 ( -12.136 -7.007 5.864) 15.191 19.542 ( -8.379 -4.837 -6.219) 11.501 20.169 ( -0.469 -0.271 8.519) 8.537 20.346 ( 1.584 0.914 -10.364) 10.524 21.333 ( -0.541 -0.312 1.080) 1.248 21.353 ( -0.208 -0.120 -1.113) 1.139 21.395 ( -1.821 -1.051 1.190) 2.416 21.421 ( -1.978 -1.142 -1.671) 2.829 21.815 ( -0.999 -0.577 6.132) 6.239 21.903 ( -1.190 -0.687 -3.422) 3.688======================= Grid point 320 (45/57) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.548 ( 0.000 0.000 3.844) 3.844 2.554 ( 0.000 0.000 5.131) 5.131 2.964 ( 0.000 0.000 7.925) 7.925 3.128 ( -0.000 -0.000 9.523) 9.523 3.233 ( 0.000 0.000 -18.970) 18.970 3.329 ( -0.000 -0.000 -11.967) 11.967 4.194 ( 0.000 0.000 5.037) 5.037 4.256 ( 0.000 0.000 -1.796) 1.796 4.893 ( 0.000 0.000 2.658) 2.658 4.948 ( 0.000 0.000 -3.143) 3.143 5.031 ( 0.000 0.000 14.218) 14.218 5.265 ( -0.000 -0.000 -10.849) 10.849 7.584 ( 0.000 0.000 3.651) 3.651 7.655 ( -0.000 -0.000 -3.770) 3.770 7.686 ( 0.000 0.000 6.064) 6.064 7.774 ( -0.000 -0.000 4.180) 4.180 7.804 ( 0.000 0.000 -6.381) 6.381 7.855 ( 0.000 0.000 -4.267) 4.267 8.715 ( 0.000 0.000 0.625) 0.625 8.728 ( 0.000 0.000 -0.647) 0.647 8.980 ( -0.000 -0.000 1.498) 1.498 8.999 ( -0.000 -0.000 -0.664) 0.664 9.088 ( 0.000 0.000 1.800) 1.800 9.127 ( 0.000 0.000 -2.172) 2.172 9.665 ( 0.000 0.000 3.159) 3.159 9.724 ( 0.000 0.000 -3.025) 3.025 12.464 ( 0.000 0.000 4.384) 4.384 12.537 ( 0.000 0.000 -2.946) 2.946 12.659 ( 0.000 0.000 0.261) 0.261 12.678 ( 0.000 0.000 -1.383) 1.383 14.354 ( 0.000 0.000 1.572) 1.572 14.385 ( 0.000 0.000 -1.708) 1.708 14.522 ( 0.000 0.000 0.567) 0.567 14.531 ( 0.000 0.000 -0.469) 0.469 16.480 ( 0.000 0.000 2.216) 2.216 16.522 ( 0.000 0.000 -2.187) 2.187 17.538 ( 0.000 0.000 2.019) 2.019 17.570 ( 0.000 0.000 -1.316) 1.316 17.770 ( 0.000 0.000 13.285) 13.285 17.948 ( 0.000 0.000 -1.271) 1.271 18.208 ( 0.000 0.000 -3.158) 3.158 18.320 ( -0.000 -0.000 -10.953) 10.953 18.404 ( 0.000 0.000 8.526) 8.526 18.580 ( 0.000 0.000 -10.366) 10.366 19.316 ( 0.000 0.000 8.129) 8.129 19.451 ( 0.000 0.000 -6.419) 6.419 20.162 ( 0.000 0.000 10.516) 10.516 20.366 ( 0.000 0.000 -11.197) 11.197 21.327 ( 0.000 0.000 1.412) 1.412 21.353 ( 0.000 0.000 -1.322) 1.322 21.373 ( 0.000 0.000 0.920) 0.920 21.396 ( 0.000 0.000 -1.636) 1.636 21.804 ( 0.000 0.000 5.999) 5.999 21.889 ( 0.000 0.000 -3.328) 3.328======================= Grid point 328 (46/57) =======================q-point: ( 0.08 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.573 ( 13.415 23.236 16.157) 31.320 1.726 ( 5.253 9.099 29.058) 30.899 1.883 ( 10.662 18.468 -16.653) 27.057 2.232 ( 4.783 8.285 -25.833) 27.547 2.726 ( 23.654 40.969 17.202) 50.338 3.065 ( 15.886 27.516 -17.572) 36.308 3.727 ( -1.841 -3.188 9.241) 9.948 3.885 ( -2.557 -4.429 -7.497) 9.075 4.042 ( 5.184 8.979 13.563) 17.072 4.288 ( 5.254 9.100 -12.272) 16.156 5.181 ( -10.614 -18.384 14.717) 25.830 5.401 ( -9.987 -17.297 -9.023) 21.917 6.073 ( -0.909 -1.575 1.997) 2.701 6.111 ( -0.378 -0.655 -1.973) 2.113 7.255 ( 2.039 3.532 3.499) 5.374 7.321 ( 2.078 3.600 -3.512) 5.442 7.340 ( 1.903 3.296 4.910) 6.212 7.425 ( 2.385 4.131 -4.083) 6.279 9.327 ( -3.312 -5.737 0.650) 6.656 9.334 ( -3.893 -6.743 -0.099) 7.787 9.862 ( -5.378 -9.314 4.919) 11.827 9.956 ( -5.563 -9.635 -4.930) 12.169 10.001 ( -2.364 -4.094 2.376) 5.291 10.045 ( -2.548 -4.414 -2.266) 5.578 11.097 ( 8.838 15.307 9.798) 20.209 11.300 ( 4.465 7.733 -11.549) 14.599 11.639 ( -4.692 -8.127 1.995) 9.594 11.676 ( -4.243 -7.349 -1.942) 8.706 12.065 ( 8.375 14.505 3.587) 17.129 12.152 ( 9.491 16.439 -5.849) 19.863 14.391 ( -2.588 -4.483 3.516) 6.257 14.462 ( -2.668 -4.621 -3.999) 6.668 14.787 ( 8.359 14.478 4.327) 17.269 14.873 ( 8.603 14.901 -4.792) 17.861 15.107 ( -0.399 -0.691 3.969) 4.048 15.176 ( -0.876 -1.518 -3.420) 3.842 16.295 ( 27.027 46.813 26.965) 60.407 16.981 ( 30.098 52.131 -48.733) 77.449 17.194 ( 0.184 0.319 2.328) 2.357 17.239 ( 0.895 1.551 -2.415) 3.006 17.330 ( 4.139 7.169 2.031) 8.524 17.377 ( 4.944 8.563 -3.542) 10.503 18.293 ( -0.630 -1.091 1.061) 1.647 18.314 ( -0.698 -1.208 -1.159) 1.814 19.999 ( 1.515 2.624 0.508) 3.072 20.008 ( 1.416 2.452 -0.479) 2.871 21.197 ( -12.860 -22.275 4.810) 26.166 21.264 ( -11.091 -19.210 -2.904) 22.371 21.421 ( -0.525 -0.910 0.074) 1.053 21.422 ( -0.685 -1.187 -0.023) 1.371 21.561 ( -0.968 -1.677 1.215) 2.286 21.583 ( -0.955 -1.654 -1.153) 2.231 22.066 ( -5.959 -10.321 11.036) 16.243 22.205 ( -5.357 -9.278 -4.787) 11.734======================= Grid point 329 (47/57) =======================q-point: ( 0.17 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.940 ( 9.501 11.355 20.195) 25.041 2.066 ( 14.004 25.721 11.500) 31.463 2.294 ( 11.750 22.049 -12.997) 28.163 2.313 ( 2.613 3.874 -19.125) 19.687 3.446 ( 13.012 20.914 7.248) 25.676 3.585 ( 3.391 12.584 -5.691) 14.221 3.728 ( 11.507 0.893 4.301) 12.317 3.839 ( 8.639 -1.071 -5.910) 10.522 4.199 ( 4.230 4.698 12.224) 13.762 4.418 ( 2.193 2.372 -10.848) 11.318 5.102 ( 10.063 11.207 12.080) 19.307 5.303 ( 7.686 8.001 -9.204) 14.416 6.008 ( -4.164 -3.799 3.386) 6.576 6.071 ( -2.918 -2.642 -3.232) 5.093 7.363 ( 5.366 5.426 3.320) 8.322 7.384 ( 1.128 2.185 4.156) 4.829 7.436 ( 5.682 4.480 -2.529) 7.665 7.487 ( 1.817 1.358 -4.797) 5.306 9.190 ( -5.888 -5.135 0.949) 7.870 9.205 ( -4.961 -4.160 -0.713) 6.514 9.632 ( -10.476 -9.184 4.570) 14.662 9.718 ( -10.660 -9.762 -4.495) 15.137 9.895 ( -1.448 -11.096 2.049) 11.376 9.934 ( -1.556 -11.247 -1.990) 11.527 11.062 ( -23.812 8.099 4.064) 25.478 11.140 ( -26.178 7.074 -4.080) 27.422 11.664 ( 21.114 -16.915 3.753) 27.314 11.736 ( 21.534 -17.522 -3.800) 28.020 12.351 ( 5.106 17.780 4.303) 18.992 12.439 ( 4.494 17.064 -4.955) 18.328 14.313 ( 0.236 -7.156 3.178) 7.833 14.376 ( -0.218 -7.704 -3.474) 8.454 14.950 ( -9.303 13.900 3.901) 17.175 15.022 ( -9.985 11.826 -3.634) 15.899 15.259 ( 19.393 4.239 3.528) 20.162 15.327 ( 19.147 5.676 -3.737) 20.317 17.194 ( 15.588 20.084 18.495) 31.439 17.232 ( 13.724 13.342 12.586) 22.908 17.291 ( 4.617 1.656 -2.880) 5.688 17.515 ( 8.597 11.921 3.319) 15.068 17.574 ( 7.347 11.368 -3.719) 14.038 17.854 ( 22.995 27.600 -39.070) 53.076 18.253 ( -2.085 -2.588 0.983) 3.466 18.274 ( -2.017 -2.432 -1.220) 3.387 20.051 ( 1.543 1.716 0.375) 2.338 20.056 ( 1.096 1.782 -0.202) 2.102 20.683 ( -18.229 -23.228 5.042) 29.955 20.772 ( -20.155 -22.205 -4.755) 30.363 21.395 ( -1.177 -1.072 0.286) 1.618 21.400 ( -0.979 -0.756 -0.274) 1.267 21.521 ( -1.515 -2.035 1.267) 2.836 21.544 ( -1.455 -2.009 -1.174) 2.744 21.928 ( -2.912 -4.090 9.423) 10.677 22.061 ( -4.065 -3.879 -5.232) 7.678======================= Grid point 330 (48/57) =======================q-point: ( 0.25 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.268 ( 12.162 15.613 9.702) 22.040 2.440 ( 5.903 9.497 -8.239) 13.890 2.502 ( 6.545 23.993 9.346) 26.568 2.694 ( 7.530 23.212 -10.943) 26.744 3.496 ( -5.681 -0.362 2.465) 6.203 3.549 ( -7.677 2.105 -3.199) 8.579 3.969 ( 9.152 0.303 5.745) 10.810 4.079 ( 9.583 -0.460 -5.757) 11.189 4.323 ( 8.109 3.626 8.044) 11.984 4.471 ( 4.022 1.693 -7.437) 8.622 5.710 ( 30.691 24.929 5.584) 39.932 5.798 ( 18.823 14.181 -2.133) 23.663 5.860 ( 1.760 2.761 3.226) 4.597 5.951 ( -4.764 -2.966 -4.893) 7.445 7.418 ( 3.047 -1.585 4.863) 5.954 7.507 ( 3.325 0.696 -3.806) 5.101 7.557 ( 7.518 4.989 1.893) 9.219 7.612 ( 7.768 7.215 -3.237) 11.085 9.037 ( -6.293 -5.690 2.105) 8.741 9.078 ( -5.553 -4.407 -2.301) 7.453 9.350 ( -12.967 -5.137 3.927) 14.489 9.421 ( -13.631 -6.817 -3.628) 15.666 9.723 ( -1.346 -19.457 2.099) 19.616 9.763 ( -1.197 -19.091 -2.092) 19.243 10.644 ( -31.679 7.614 2.899) 32.710 10.698 ( -32.439 7.577 -2.830) 33.433 11.877 ( 22.125 -17.239 3.524) 28.268 11.945 ( 22.028 -17.156 -3.588) 28.150 12.575 ( 1.666 16.084 3.830) 16.617 12.647 ( 1.258 15.753 -3.793) 16.253 14.255 ( 2.338 -9.371 2.385) 9.949 14.302 ( 1.777 -10.248 -2.533) 10.705 14.882 ( -11.119 10.579 2.524) 15.554 14.928 ( -11.551 9.066 -2.315) 14.865 15.695 ( 20.977 10.522 3.470) 23.723 15.763 ( 20.179 11.129 -3.668) 23.335 17.280 ( 5.860 -1.508 5.476) 8.160 17.379 ( 6.492 -0.707 -4.985) 8.215 17.643 ( 4.775 13.697 11.492) 18.506 17.820 ( 6.830 13.625 -7.499) 16.986 18.043 ( 21.706 20.902 11.321) 32.191 18.155 ( -4.090 -3.111 0.749) 5.193 18.207 ( -1.185 -2.232 -1.173) 2.786 18.347 ( 11.473 10.723 -16.416) 22.717 19.992 ( -12.032 -5.972 1.613) 13.529 20.028 ( -9.529 -5.607 -1.973) 11.231 20.213 ( -9.033 -14.389 3.310) 17.309 20.306 ( -5.536 -11.003 -7.082) 14.208 21.364 ( -1.182 -0.879 0.610) 1.594 21.376 ( -0.982 -0.599 -0.635) 1.313 21.471 ( -2.001 -1.984 1.331) 3.117 21.496 ( -1.877 -2.026 -1.314) 3.059 21.860 ( -1.612 -2.436 7.912) 8.434 21.976 ( -2.903 -1.707 -4.738) 5.813======================= Grid point 331 (49/57) =======================q-point: ( 0.33 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.600 ( 4.462 19.565 4.979) 20.675 2.671 ( 6.510 14.042 -2.107) 15.620 2.743 ( -2.617 18.740 12.059) 22.438 2.997 ( 4.936 16.694 -14.525) 22.672 3.360 ( -8.562 -1.464 2.941) 9.171 3.445 ( -4.963 -1.221 -5.983) 7.868 4.080 ( 4.889 2.705 7.786) 9.583 4.193 ( 4.101 2.637 -4.134) 6.392 4.553 ( 13.488 4.683 1.638) 14.372 4.601 ( 8.084 2.947 -3.094) 9.144 5.536 ( -15.977 -7.692 8.566) 19.693 5.688 ( -13.520 -6.847 -7.555) 16.934 6.640 ( 37.258 19.755 0.557) 42.175 6.641 ( 40.295 23.110 0.380) 46.453 7.460 ( 5.348 -4.680 4.584) 8.456 7.549 ( 4.537 -3.916 -4.809) 7.684 7.772 ( 8.743 7.011 2.945) 11.587 7.830 ( 8.384 7.663 -3.158) 11.789 8.815 ( -9.931 -11.607 3.443) 15.659 8.885 ( -9.606 -9.642 -4.112) 14.218 9.125 ( -8.357 -7.381 2.165) 11.358 9.161 ( -9.152 -7.434 -1.743) 11.919 9.492 ( -4.037 -13.126 2.443) 13.949 9.537 ( -4.241 -12.800 -2.322) 13.683 10.189 ( -30.819 10.567 2.266) 32.659 10.230 ( -31.395 10.656 -2.145) 33.223 12.059 ( 18.816 -17.505 3.729) 25.969 12.130 ( 19.075 -17.330 -3.757) 26.044 12.727 ( -0.972 13.686 3.675) 14.205 12.795 ( -1.164 13.946 -3.431) 14.408 14.206 ( 3.798 -11.042 1.496) 11.772 14.235 ( 3.470 -12.104 -1.558) 12.688 14.802 ( -10.961 12.160 1.432) 16.433 14.829 ( -11.301 11.146 -1.363) 15.931 16.137 ( 17.580 10.316 2.958) 20.597 16.194 ( 16.774 10.416 -3.027) 19.976 17.366 ( 7.088 -4.921 6.039) 10.532 17.469 ( 6.147 -4.828 -4.806) 9.176 17.825 ( 0.401 13.103 11.306) 17.311 18.012 ( -2.300 4.501 -5.215) 7.263 18.073 ( 1.032 3.054 -0.183) 3.229 18.159 ( 2.840 3.647 -6.557) 8.023 18.501 ( 2.066 0.907 2.453) 3.333 18.534 ( 10.797 9.218 -0.987) 14.231 19.592 ( -16.805 -11.812 3.554) 20.846 19.683 ( -13.923 -5.585 -5.858) 16.105 20.135 ( 1.428 -4.303 6.171) 7.657 20.275 ( 4.412 -4.390 -9.002) 10.944 21.340 ( -0.752 -0.453 0.935) 1.282 21.358 ( -0.524 -0.206 -0.972) 1.124 21.418 ( -2.050 -1.429 1.291) 2.812 21.443 ( -2.010 -1.581 -1.474) 2.952 21.819 ( -0.867 -1.698 7.060) 7.313 21.924 ( -1.911 -0.757 -4.284) 4.752======================= Grid point 332 (50/57) =======================q-point: ( 0.42 0.08 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.769 ( -8.781 22.274 6.179) 24.726 2.800 ( -11.515 22.816 7.399) 26.607 2.924 ( 7.194 8.710 4.782) 12.268 3.177 ( -2.442 -0.528 -1.076) 2.720 3.206 ( -1.063 3.819 -10.957) 11.652 3.352 ( -3.395 -3.041 -10.638) 11.574 4.200 ( 2.562 5.174 5.849) 8.219 4.269 ( 0.668 3.350 -1.799) 3.861 4.798 ( 10.545 4.854 2.763) 11.933 4.854 ( 13.030 6.166 -3.278) 14.784 5.173 ( -16.159 -6.497 11.455) 20.846 5.371 ( -13.628 -6.105 -9.507) 17.703 7.372 ( 26.322 6.050 4.831) 27.437 7.461 ( 28.679 8.247 -4.423) 30.167 7.517 ( 9.902 -2.373 3.965) 10.927 7.596 ( 8.702 -2.333 -4.271) 9.971 7.891 ( -4.108 -0.370 3.717) 5.552 7.963 ( -2.836 -0.283 -3.900) 4.831 8.592 ( 2.121 -9.074 2.479) 9.643 8.640 ( -2.405 -9.966 -2.667) 10.593 8.827 ( -7.153 -22.070 2.165) 23.301 8.866 ( -6.013 -20.466 -2.113) 21.436 9.431 ( -7.897 18.257 2.148) 20.007 9.469 ( -8.427 18.023 -1.865) 19.983 9.847 ( -18.253 8.472 2.317) 20.256 9.890 ( -17.383 8.072 -2.273) 19.301 12.163 ( 14.216 -19.059 4.063) 24.121 12.239 ( 14.421 -19.065 -4.000) 24.238 12.809 ( -4.023 11.235 3.737) 12.505 12.877 ( -4.222 11.709 -3.465) 12.921 14.173 ( 5.435 -11.389 0.880) 12.650 14.190 ( 5.582 -12.343 -0.900) 13.577 14.755 ( -9.679 14.267 0.823) 17.261 14.771 ( -9.650 13.647 -0.825) 16.734 16.446 ( 7.397 5.738 2.397) 9.664 16.491 ( 6.936 5.769 -2.397) 9.335 17.401 ( 5.363 -9.228 5.015) 11.792 17.478 ( 3.733 -8.643 -3.277) 9.969 17.874 ( -3.760 5.607 8.589) 10.924 17.992 ( -1.885 4.214 -0.004) 4.616 18.186 ( 5.203 6.193 1.304) 8.193 18.347 ( 5.335 11.413 -9.994) 16.081 18.428 ( -4.976 -3.520 6.729) 9.079 18.609 ( -5.081 -3.465 -11.103) 12.693 19.348 ( -4.282 -0.810 8.493) 9.545 19.492 ( -5.107 -0.379 -6.934) 8.620 20.118 ( 2.082 -4.860 9.327) 10.721 20.305 ( 4.037 -5.074 -10.575) 12.404 21.330 ( -0.295 0.036 1.314) 1.347 21.354 ( -0.056 0.182 -1.252) 1.266 21.380 ( -0.996 -0.446 1.048) 1.514 21.403 ( -1.109 -0.617 -1.494) 1.960 21.798 ( -0.015 -1.090 6.679) 6.767 21.897 ( -0.776 -0.051 -4.049) 4.123======================= Grid point 341 (51/57) =======================q-point: ( 0.17 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.237 ( 10.636 18.421 10.441) 23.696 2.429 ( 5.087 8.812 -9.983) 14.254 2.600 ( 14.954 25.902 8.356) 31.054 2.775 ( 13.698 23.726 -10.226) 29.242 3.611 ( -0.302 -0.522 7.606) 7.630 3.740 ( -0.584 -1.012 -6.170) 6.279 3.782 ( 4.777 8.274 4.596) 10.602 3.889 ( 3.214 5.567 -6.531) 9.164 4.274 ( 2.239 3.877 9.757) 10.735 4.445 ( 0.902 1.563 -8.381) 8.573 5.558 ( 18.834 32.621 6.446) 38.215 5.666 ( 15.689 27.175 -4.958) 31.768 5.900 ( -4.322 -7.485 4.874) 9.923 5.989 ( -3.442 -5.961 -4.540) 8.246 7.381 ( -0.968 -1.677 5.406) 5.742 7.485 ( -0.722 -1.250 -5.531) 5.716 7.510 ( 5.309 9.195 3.610) 11.214 7.578 ( 5.340 9.249 -3.580) 11.264 9.068 ( -4.561 -7.899 2.039) 9.346 9.108 ( -3.644 -6.311 -2.237) 7.623 9.473 ( -3.527 -6.109 3.723) 7.976 9.540 ( -4.287 -7.426 -3.465) 9.248 9.600 ( -10.435 -18.075 2.087) 20.975 9.640 ( -10.236 -17.729 -2.066) 20.575 11.234 ( -1.755 -3.040 3.364) 4.862 11.299 ( -2.268 -3.929 -3.476) 5.715 11.319 ( -3.653 -6.327 3.526) 8.112 11.385 ( -3.449 -5.974 -3.356) 7.671 12.643 ( 6.927 11.998 3.874) 14.386 12.717 ( 6.673 11.559 -3.959) 13.921 14.182 ( -3.427 -5.936 2.389) 7.259 14.229 ( -4.032 -6.984 -2.521) 8.449 15.089 ( 0.330 0.572 1.722) 1.844 15.120 ( -0.286 -0.495 -1.565) 1.666 15.511 ( 11.826 20.483 4.630) 24.100 15.600 ( 11.674 20.219 -4.763) 23.828 17.222 ( 0.529 0.917 4.999) 5.110 17.316 ( 1.051 1.820 -4.900) 5.331 17.674 ( 7.984 13.828 11.546) 19.704 17.831 ( 8.316 14.404 -6.245) 17.766 17.952 ( 16.796 29.092 13.819) 36.324 18.179 ( -2.783 -4.820 1.419) 5.744 18.209 ( -2.319 -4.017 -1.767) 4.964 18.296 ( 9.416 16.309 -20.895) 28.129 20.071 ( 0.005 0.009 0.732) 0.732 20.085 ( 0.307 0.532 -0.665) 0.906 20.202 ( -14.140 -24.490 3.799) 28.533 20.309 ( -13.183 -22.833 -7.898) 27.523 21.371 ( -0.754 -1.306 0.619) 1.630 21.382 ( -0.578 -1.001 -0.600) 1.303 21.477 ( -1.330 -2.304 1.282) 2.953 21.501 ( -1.326 -2.296 -1.174) 2.900 21.861 ( -1.584 -2.743 9.022) 9.562 21.995 ( -1.680 -2.909 -5.548) 6.486======================= Grid point 342 (52/57) =======================q-point: ( 0.25 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.629 ( 11.330 18.299 1.719) 21.591 2.648 ( 8.338 13.156 -0.165) 15.577 2.992 ( 3.412 19.028 6.794) 20.491 3.136 ( 4.278 16.130 -8.583) 18.765 3.589 ( -11.024 14.163 3.197) 18.230 3.661 ( -13.636 12.913 -4.383) 19.284 3.955 ( 12.332 -0.675 5.689) 13.598 4.062 ( 14.854 -0.341 -5.573) 15.869 4.383 ( 7.724 2.511 6.608) 10.471 4.504 ( 4.565 1.617 -6.149) 7.827 5.698 ( -10.577 -7.598 6.772) 14.678 5.821 ( -8.913 -6.786 -6.129) 12.769 6.282 ( 28.445 27.603 0.745) 39.644 6.287 ( 26.052 23.157 0.208) 34.856 7.342 ( 1.089 -5.591 5.749) 8.093 7.452 ( 0.764 -4.649 -5.867) 7.525 7.712 ( 7.228 9.176 3.583) 12.219 7.781 ( 7.026 9.410 -3.602) 12.284 8.866 ( -8.183 -10.683 3.541) 13.915 8.938 ( -7.300 -9.378 -4.156) 12.590 9.163 ( -13.806 -23.096 2.660) 27.039 9.213 ( -13.911 -22.224 -2.590) 26.347 9.463 ( 2.068 3.277 2.557) 4.643 9.508 ( 1.786 2.501 -2.187) 3.772 10.843 ( -32.498 10.959 2.956) 34.423 10.899 ( -33.156 11.049 -2.852) 35.065 11.498 ( 23.914 -21.031 3.557) 32.044 11.565 ( 24.179 -21.155 -3.485) 32.316 12.833 ( 2.738 10.402 3.804) 11.409 12.904 ( 2.701 10.544 -3.668) 11.486 14.080 ( -0.581 -7.995 1.288) 8.119 14.105 ( -1.129 -9.225 -1.323) 9.387 15.071 ( -6.195 7.840 0.786) 10.024 15.085 ( -6.193 6.308 -0.728) 8.870 15.949 ( 17.035 15.359 3.966) 23.277 16.025 ( 15.993 15.469 -4.044) 22.614 17.247 ( 2.537 -1.796 5.691) 6.484 17.351 ( 2.619 -2.125 -5.196) 6.195 17.918 ( 4.769 13.462 10.922) 17.979 18.069 ( -3.594 -4.262 2.321) 6.040 18.103 ( 2.163 8.495 -6.731) 11.052 18.143 ( 3.151 2.932 -5.760) 7.190 18.440 ( 11.605 15.096 3.634) 19.384 18.494 ( 3.367 4.639 -1.960) 6.058 19.734 ( -14.953 -16.185 5.597) 22.735 19.882 ( -15.338 -7.175 -9.506) 19.419 20.059 ( 0.834 -5.065 2.571) 5.741 20.126 ( 5.143 -7.511 -5.343) 10.555 21.347 ( -0.676 -0.726 0.919) 1.353 21.364 ( -0.517 -0.470 -0.902) 1.140 21.432 ( -1.496 -1.833 1.289) 2.694 21.456 ( -1.459 -1.897 -1.200) 2.678 21.816 ( -1.018 -1.999 8.391) 8.686 21.944 ( -1.652 -1.574 -5.473) 5.930======================= Grid point 343 (53/57) =======================q-point: ( 0.33 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 362Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.867 ( 6.120 7.926 8.594) 13.196 2.998 ( 8.012 16.636 -4.337) 18.967 3.118 ( -0.996 6.506 6.500) 9.251 3.271 ( 0.223 6.438 -9.177) 11.213 3.506 ( -17.420 19.728 -0.946) 26.335 3.545 ( -19.110 21.386 -4.067) 28.967 4.192 ( 7.549 9.017 7.053) 13.713 4.280 ( 4.561 6.006 -2.259) 7.872 4.633 ( 16.496 3.308 -0.338) 16.828 4.652 ( 12.478 2.322 -1.940) 12.839 5.396 ( -15.957 -6.414 8.858) 19.345 5.551 ( -13.875 -7.257 -7.602) 17.406 6.950 ( 29.883 11.740 4.090) 32.366 7.024 ( 31.663 15.026 -3.700) 35.243 7.322 ( 5.252 -8.265 5.694) 11.328 7.431 ( 4.088 -7.340 -5.786) 10.201 7.899 ( 4.078 4.740 3.332) 7.085 7.965 ( 3.850 4.621 -3.568) 6.994 8.573 ( -11.563 -14.611 4.448) 19.156 8.647 ( -11.839 -16.161 -2.876) 20.238 8.741 ( -7.821 -21.118 1.458) 22.567 8.789 ( -7.001 -18.443 -3.133) 19.974 9.627 ( 4.090 18.562 2.037) 19.116 9.664 ( 4.123 18.030 -1.830) 18.586 10.394 ( -31.538 9.612 2.383) 33.056 10.438 ( -32.236 9.750 -2.256) 33.754 11.662 ( 19.996 -22.591 3.810) 30.409 11.733 ( 20.344 -22.755 -3.691) 30.746 12.946 ( -0.509 8.618 3.993) 9.512 13.020 ( -0.525 8.973 -3.748) 9.738 14.008 ( 1.903 -8.687 0.337) 8.899 14.014 ( 1.739 -9.808 -0.351) 9.967 15.047 ( -7.839 11.754 0.103) 14.129 15.048 ( -7.573 10.361 -0.078) 12.834 16.350 ( 12.993 11.459 3.095) 17.598 16.409 ( 12.013 11.578 -3.137) 16.977 17.249 ( 2.261 -7.044 5.195) 9.040 17.339 ( 1.668 -8.174 -4.242) 9.359 17.957 ( -3.370 -0.575 5.798) 6.730 18.061 ( -1.137 3.218 -2.682) 4.341 18.161 ( 5.633 7.407 7.429) 11.908 18.352 ( 4.314 6.947 -7.992) 11.434 18.482 ( -2.522 0.329 6.225) 6.725 18.664 ( 0.228 4.885 -10.776) 11.834 19.437 ( -7.422 -2.745 9.820) 12.612 19.621 ( -10.330 -0.805 -9.493) 14.052 20.015 ( 1.834 -7.899 5.971) 10.070 20.144 ( 6.050 -8.730 -8.104) 13.359 21.335 ( -0.304 0.005 1.194) 1.232 21.357 ( -0.125 0.164 -1.147) 1.165 21.394 ( -1.252 -1.055 1.209) 2.035 21.416 ( -1.296 -1.149 -1.231) 2.125 21.787 ( -0.339 -1.460 7.878) 8.020 21.910 ( -1.056 -0.679 -5.295) 5.442======================= Grid point 344 (54/57) =======================q-point: ( 0.42 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.965 ( -1.384 2.397 12.712) 13.009 3.129 ( 0.230 -0.398 8.049) 8.062 3.187 ( -2.698 4.674 -8.662) 10.206 3.301 ( 0.788 -1.364 -10.338) 10.458 3.430 ( -17.193 29.780 -1.400) 34.415 3.474 ( -19.282 33.397 -4.144) 38.786 4.306 ( -2.812 4.871 3.904) 6.847 4.344 ( -2.272 3.935 -0.103) 4.544 4.833 ( 2.330 -4.036 3.052) 5.571 4.906 ( 1.833 -3.174 -4.463) 5.775 5.141 ( -2.994 5.186 10.273) 11.890 5.315 ( -0.927 1.606 -8.243) 8.449 7.267 ( 5.866 -10.160 6.278) 13.306 7.388 ( 5.154 -8.928 -6.370) 12.118 7.456 ( 5.464 -9.463 5.450) 12.211 7.564 ( 5.323 -9.219 -5.939) 12.190 7.852 ( 1.356 -2.349 2.949) 4.006 7.909 ( 1.449 -2.510 -3.064) 4.218 8.388 ( 5.179 -8.970 3.677) 10.990 8.456 ( 3.731 -6.463 -3.489) 8.238 8.535 ( 3.452 -5.979 5.020) 8.536 8.626 ( 2.918 -5.053 -4.650) 7.461 9.898 ( -13.165 22.803 1.915) 26.400 9.933 ( -13.292 23.023 -1.705) 26.639 10.028 ( -7.612 13.185 2.016) 15.358 10.066 ( -7.524 13.033 -1.997) 15.181 11.723 ( 14.644 -25.363 3.951) 29.553 11.796 ( 14.822 -25.672 -3.808) 29.887 12.984 ( -3.833 6.638 4.108) 8.697 13.060 ( -4.008 6.942 -3.836) 8.886 13.979 ( 4.965 -8.600 0.033) 9.931 13.980 ( 4.523 -7.834 -0.047) 9.046 15.034 ( -7.051 12.213 0.183) 14.104 15.038 ( -7.733 13.394 -0.163) 15.467 16.539 ( -2.148 3.720 2.603) 5.023 16.589 ( -2.396 4.149 -2.637) 5.469 17.216 ( 5.147 -8.916 4.546) 11.254 17.293 ( 5.348 -9.263 -3.609) 11.289 17.927 ( -1.020 1.766 7.552) 7.822 18.073 ( -1.736 3.007 -6.848) 7.678 18.291 ( 3.058 -5.297 9.157) 11.012 18.364 ( -4.858 8.414 13.409) 16.559 18.479 ( 2.868 -4.968 -10.934) 12.348 18.658 ( -6.919 11.985 -16.507) 21.540 19.382 ( -2.223 3.851 8.509) 9.601 19.526 ( -2.250 3.898 -6.843) 8.191 19.987 ( 4.647 -8.048 8.416) 12.537 20.154 ( 5.695 -9.865 -9.446) 14.798 21.334 ( -0.217 0.377 1.380) 1.447 21.359 ( -0.195 0.338 -1.274) 1.333 21.376 ( 0.061 -0.105 1.088) 1.094 21.397 ( 0.060 -0.103 -1.211) 1.217 21.777 ( 0.532 -0.921 7.687) 7.761 21.897 ( -0.031 0.054 -5.215) 5.215======================= Grid point 355 (55/57) =======================q-point: ( 0.25 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.854 ( 5.316 9.208 7.111) 12.791 2.997 ( 8.782 15.210 -7.951) 19.279 3.146 ( 0.326 0.565 6.414) 6.447 3.278 ( 0.950 1.645 -7.492) 7.729 3.915 ( 3.497 6.057 7.879) 10.535 4.060 ( 5.187 8.984 -7.471) 12.784 4.087 ( 12.375 21.435 2.439) 24.871 4.133 ( 12.187 21.108 -2.327) 24.485 4.431 ( 1.850 3.204 5.767) 6.852 4.536 ( 1.127 1.951 -5.284) 5.744 5.519 ( -6.215 -10.765 7.123) 14.326 5.646 ( -6.424 -11.126 -6.356) 14.333 6.723 ( 12.500 21.650 4.513) 25.404 6.804 ( 14.403 24.946 -4.086) 29.094 7.228 ( -2.955 -5.118 6.621) 8.874 7.353 ( -2.736 -4.739 -6.576) 8.556 7.884 ( 3.931 6.809 3.477) 8.596 7.952 ( 3.669 6.356 -3.685) 8.212 8.629 ( -15.480 -26.812 4.254) 31.251 8.656 ( -5.992 -10.378 4.663) 12.859 8.708 ( -14.501 -25.117 -4.028) 29.281 8.748 ( -5.581 -9.667 -4.999) 12.231 9.683 ( 9.498 16.451 1.853) 19.087 9.716 ( 9.351 16.196 -1.666) 18.776 10.985 ( -5.219 -9.040 2.961) 10.850 11.040 ( -5.235 -9.067 -2.845) 10.850 11.109 ( -3.692 -6.395 3.476) 8.161 11.173 ( -3.839 -6.650 -3.296) 8.356 12.993 ( 3.448 5.973 4.095) 8.021 13.069 ( 3.607 6.248 -3.866) 8.185 13.947 ( -3.102 -5.374 0.103) 6.206 13.949 ( -3.674 -6.363 -0.118) 7.348 15.176 ( 1.796 3.110 0.584) 3.639 15.187 ( 2.382 4.126 -0.573) 4.799 16.281 ( 10.125 17.538 3.752) 20.595 16.353 ( 9.842 17.048 -3.778) 20.044 17.195 ( -2.396 -4.151 4.911) 6.862 17.282 ( -3.070 -5.318 -4.277) 7.484 17.984 ( -1.699 -2.943 4.958) 6.010 18.088 ( -0.085 -0.148 -6.019) 6.021 18.146 ( 4.542 7.868 11.444) 14.612 18.347 ( 3.107 5.382 -8.386) 10.437 18.507 ( 0.695 1.205 7.166) 7.300 18.686 ( 4.829 8.364 -9.815) 13.770 19.500 ( -3.465 -6.002 11.929) 13.796 19.754 ( -3.516 -6.089 -15.217) 16.763 19.947 ( -3.660 -6.340 3.054) 7.932 20.002 ( -2.771 -4.799 -2.792) 6.205 21.338 ( -0.080 -0.138 1.156) 1.167 21.360 ( 0.015 0.027 -1.106) 1.106 21.399 ( -0.880 -1.524 1.272) 2.171 21.422 ( -0.890 -1.541 -1.129) 2.107 21.783 ( -0.788 -1.365 8.428) 8.574 21.916 ( -0.730 -1.264 -5.850) 6.029======================= Grid point 356 (56/57) =======================q-point: ( 0.33 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 360Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.989 ( 2.128 4.710 9.921) 11.186 3.121 ( -0.945 -2.128 7.461) 7.816 3.196 ( 3.240 4.684 -12.291) 13.546 3.279 ( -0.049 -1.507 -9.341) 9.462 4.007 ( -10.894 26.305 7.831) 29.529 4.132 ( -14.852 30.254 -5.635) 34.171 4.386 ( -1.058 7.540 3.781) 8.500 4.413 ( 0.285 7.429 1.489) 7.582 4.646 ( 13.263 -3.027 0.507) 13.613 4.696 ( 20.719 0.977 -4.098) 21.142 5.296 ( -9.427 -3.086 5.476) 11.331 5.396 ( -9.309 -8.345 -5.014) 13.470 7.085 ( 7.241 -1.096 6.961) 10.104 7.194 ( 12.057 3.558 0.203) 12.573 7.244 ( 8.428 1.028 -1.219) 8.578 7.337 ( 11.050 3.872 -6.221) 13.259 7.821 ( -8.601 -16.636 3.153) 18.991 7.885 ( -7.826 -14.696 -3.730) 17.063 8.303 ( -0.610 -3.471 5.547) 6.572 8.402 ( -1.081 -2.739 -4.873) 5.694 8.482 ( -3.447 -7.692 5.321) 9.968 8.582 ( -3.420 -7.060 -5.147) 9.382 10.074 ( 11.387 25.380 1.909) 27.883 10.109 ( 11.647 25.773 -1.803) 28.340 10.549 ( -31.769 5.808 2.551) 32.396 10.596 ( -32.606 5.944 -2.395) 33.230 11.179 ( 18.501 -26.049 3.442) 32.136 11.243 ( 18.937 -26.647 -3.266) 32.854 13.072 ( -0.129 4.219 4.351) 6.062 13.152 ( -0.129 4.483 -4.068) 6.055 13.862 ( 0.448 -5.443 0.609) 5.496 13.874 ( 0.491 -4.753 -0.647) 4.822 15.215 ( -2.449 6.137 1.324) 6.739 15.240 ( -2.667 7.240 -1.282) 7.821 16.590 ( 5.900 12.831 3.193) 14.479 16.650 ( 5.334 12.869 -3.212) 14.296 17.079 ( -1.256 -10.383 3.872) 11.152 17.148 ( -1.315 -11.126 -3.438) 11.719 17.965 ( -0.624 2.357 7.655) 8.034 18.120 ( 0.484 4.152 -8.418) 9.399 18.187 ( 0.988 -5.695 9.465) 11.090 18.371 ( 1.497 -4.067 -8.120) 9.204 18.516 ( -2.524 3.850 13.799) 14.547 18.838 ( 0.550 10.808 -17.909) 20.925 19.477 ( -1.832 5.736 9.323) 11.098 19.643 ( -6.431 3.060 -8.436) 11.041 19.833 ( 1.152 -10.166 5.772) 11.747 19.945 ( 4.911 -10.832 -6.301) 13.459 21.341 ( 0.037 0.571 1.306) 1.426 21.365 ( 0.130 0.593 -1.202) 1.347 21.374 ( -0.476 -0.941 1.238) 1.627 21.397 ( -0.543 -0.907 -1.124) 1.543 21.764 ( -0.083 -0.853 8.331) 8.375 21.898 ( -0.296 -0.473 -5.975) 6.001======================= Grid point 368 (57/57) =======================q-point: ( 0.33 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 81Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.066 ( -1.664 -2.881 8.604) 9.225 3.066 ( 1.664 2.881 8.604) 9.225 3.249 ( -0.818 -1.416 -10.940) 11.062 3.249 ( 0.818 1.416 -10.940) 11.062 4.435 ( -6.978 -12.087 9.942) 17.135 4.435 ( 6.978 12.087 9.942) 17.135 4.441 ( -0.000 -0.000 4.981) 4.981 4.534 ( 0.000 0.000 -4.759) 4.759 4.600 ( -6.669 -11.552 -7.751) 15.427 4.600 ( 6.669 11.552 -7.751) 15.427 5.275 ( -0.000 -0.000 0.535) 0.535 5.285 ( -0.000 -0.000 -0.523) 0.523 7.039 ( -0.000 -0.000 7.687) 7.687 7.185 ( -0.000 -0.000 -7.699) 7.699 7.441 ( -8.472 -14.673 5.615) 17.849 7.441 ( 8.472 14.673 5.615) 17.849 7.553 ( -7.624 -13.205 -6.165) 16.447 7.553 ( 7.624 13.205 -6.165) 16.447 8.357 ( -2.710 -4.693 5.757) 7.906 8.357 ( 2.710 4.693 5.757) 7.906 8.460 ( -2.740 -4.746 -5.193) 7.550 8.460 ( 2.740 4.746 -5.193) 7.550 10.486 ( 0.000 0.000 2.475) 2.475 10.532 ( -0.000 -0.000 -2.374) 2.374 10.685 ( -9.111 -15.781 2.731) 18.426 10.685 ( 9.111 15.781 2.731) 18.426 10.735 ( -9.371 -16.231 -2.546) 18.914 10.735 ( 9.371 16.231 -2.546) 18.914 13.113 ( -0.000 -0.000 4.504) 4.504 13.196 ( -0.000 -0.000 -4.205) 4.205 13.807 ( -0.000 -0.000 0.968) 0.968 13.826 ( -0.000 -0.000 -1.026) 1.026 15.277 ( -0.000 -0.000 1.944) 1.944 15.314 ( -0.000 -0.000 -1.889) 1.889 16.846 ( -6.419 -11.118 3.293) 13.253 16.846 ( 6.419 11.118 3.293) 13.253 16.908 ( -6.477 -11.218 -3.199) 13.343 16.908 ( 6.477 11.218 -3.199) 13.343 18.054 ( -3.151 -5.457 9.029) 11.011 18.054 ( 3.151 5.457 9.029) 11.011 18.236 ( -3.656 -6.333 -10.179) 12.534 18.236 ( 3.656 6.333 -10.179) 12.534 18.576 ( -0.000 -0.000 19.201) 19.201 18.963 ( -0.000 -0.000 -21.597) 21.597 19.633 ( -4.787 -8.292 6.695) 11.684 19.633 ( 4.787 8.292 6.695) 11.684 19.751 ( -4.017 -6.957 -5.789) 9.902 19.751 ( 4.017 6.957 -5.789) 9.902 21.356 ( -0.439 -0.760 1.299) 1.568 21.356 ( 0.439 0.760 1.299) 1.568 21.379 ( -0.414 -0.717 -1.159) 1.424 21.379 ( 0.414 0.717 -1.159) 1.424 21.755 ( -0.000 -0.000 8.465) 8.465 21.893 ( -0.000 -0.000 -6.204) 6.204=================== 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 3/38880 10.0 4788.709 4788.709 2368.543 -0.000 -0.000 0.000 3/38880 20.0 997.933 997.933 798.537 -0.000 -0.000 0.000 3/38880 30.0 391.652 391.652 253.836 -0.000 -0.000 0.000 3/38880 40.0 229.936 229.936 127.946 0.000 -0.000 0.000 3/38880 50.0 158.625 158.625 80.652 0.000 -0.000 0.000 3/38880 60.0 119.030 119.030 57.352 0.000 -0.000 0.000 3/38880 70.0 94.446 94.446 43.929 0.000 -0.000 0.000 3/38880 80.0 78.022 78.022 35.367 0.000 -0.000 0.000 3/38880 90.0 66.397 66.397 29.496 0.000 -0.000 0.000 3/38880 100.0 57.766 57.766 25.248 0.000 -0.000 0.000 3/38880 110.0 51.102 51.102 22.044 0.000 -0.000 0.000 3/38880 120.0 45.790 45.790 19.548 0.000 -0.000 0.000 3/38880 130.0 41.451 41.451 17.552 0.000 -0.000 0.000 3/38880 140.0 37.837 37.837 15.923 0.000 -0.000 0.000 3/38880 150.0 34.779 34.779 14.568 0.000 -0.000 0.000 3/38880 160.0 32.161 32.161 13.426 0.000 -0.000 0.000 3/38880 170.0 29.895 29.895 12.451 0.000 -0.000 0.000 3/38880 180.0 27.917 27.917 11.609 0.000 -0.000 0.000 3/38880 190.0 26.178 26.178 10.876 0.000 -0.000 0.000 3/38880 200.0 24.637 24.637 10.231 0.000 -0.000 0.000 3/38880 210.0 23.265 23.265 9.660 0.000 -0.000 0.000 3/38880 220.0 22.035 22.035 9.152 0.000 -0.000 0.000 3/38880 230.0 20.928 20.928 8.695 0.000 -0.000 0.000 3/38880 240.0 19.926 19.926 8.283 0.000 -0.000 0.000 3/38880 250.0 19.016 19.016 7.910 0.000 -0.000 0.000 3/38880 260.0 18.186 18.186 7.570 0.000 -0.000 0.000 3/38880 270.0 17.425 17.425 7.259 0.000 -0.000 0.000 3/38880 280.0 16.726 16.726 6.974 0.000 -0.000 0.000 3/38880 290.0 16.082 16.082 6.710 0.000 -0.000 0.000 3/38880 300.0 15.486 15.486 6.467 0.000 -0.000 0.000 3/38880 310.0 14.934 14.934 6.241 0.000 -0.000 0.000 3/38880 320.0 14.420 14.420 6.031 0.000 -0.000 0.000 3/38880 330.0 13.941 13.941 5.835 0.000 -0.000 0.000 3/38880 340.0 13.493 13.493 5.652 0.000 -0.000 0.000 3/38880 350.0 13.074 13.074 5.480 0.000 -0.000 0.000 3/38880 360.0 12.680 12.680 5.319 0.000 -0.000 0.000 3/38880 370.0 12.310 12.310 5.167 0.000 -0.000 0.000 3/38880 380.0 11.961 11.961 5.024 0.000 -0.000 0.000 3/38880 390.0 11.632 11.632 4.888 0.000 -0.000 0.000 3/38880 400.0 11.321 11.321 4.760 0.000 -0.000 0.000 3/38880 410.0 11.027 11.027 4.639 0.000 -0.000 0.000 3/38880 420.0 10.747 10.747 4.524 0.000 -0.000 0.000 3/38880 430.0 10.482 10.482 4.414 0.000 -0.000 0.000 3/38880 440.0 10.230 10.230 4.310 0.000 -0.000 0.000 3/38880 450.0 9.990 9.990 4.211 0.000 -0.000 0.000 3/38880 460.0 9.761 9.761 4.116 0.000 -0.000 0.000 3/38880 470.0 9.542 9.542 4.026 0.000 -0.000 0.000 3/38880 480.0 9.333 9.333 3.939 0.000 -0.000 0.000 3/38880 490.0 9.134 9.134 3.857 0.000 -0.000 0.000 3/38880 500.0 8.942 8.942 3.777 0.000 -0.000 0.000 3/38880 510.0 8.759 8.759 3.701 0.000 -0.000 0.000 3/38880 520.0 8.584 8.584 3.628 0.000 -0.000 0.000 3/38880 530.0 8.415 8.415 3.558 0.000 -0.000 0.000 3/38880 540.0 8.253 8.253 3.491 0.000 -0.000 0.000 3/38880 550.0 8.097 8.097 3.426 0.000 -0.000 0.000 3/38880 560.0 7.947 7.947 3.363 0.000 -0.000 0.000 3/38880 570.0 7.803 7.803 3.303 0.000 -0.000 0.000 3/38880 580.0 7.663 7.663 3.245 0.000 -0.000 0.000 3/38880 590.0 7.529 7.529 3.189 0.000 -0.000 0.000 3/38880 600.0 7.399 7.399 3.135 0.000 -0.000 0.000 3/38880 610.0 7.274 7.274 3.082 0.000 -0.000 0.000 3/38880 620.0 7.153 7.153 3.032 0.000 -0.000 0.000 3/38880 630.0 7.036 7.036 2.983 0.000 -0.000 0.000 3/38880 640.0 6.923 6.923 2.935 0.000 -0.000 0.000 3/38880 650.0 6.814 6.814 2.890 0.000 -0.000 0.000 3/38880 660.0 6.708 6.708 2.845 0.000 -0.000 0.000 3/38880 670.0 6.605 6.605 2.802 0.000 -0.000 0.000 3/38880 680.0 6.505 6.505 2.760 0.000 -0.000 0.000 3/38880 690.0 6.409 6.409 2.720 0.000 -0.000 0.000 3/38880 700.0 6.315 6.315 2.680 0.000 -0.000 0.000 3/38880 710.0 6.224 6.224 2.642 0.000 -0.000 0.000 3/38880 720.0 6.136 6.136 2.605 0.000 -0.000 0.000 3/38880 730.0 6.050 6.050 2.569 0.000 -0.000 0.000 3/38880 740.0 5.966 5.966 2.534 0.000 -0.000 0.000 3/38880 750.0 5.885 5.885 2.500 0.000 -0.000 0.000 3/38880 760.0 5.806 5.806 2.466 0.000 -0.000 0.000 3/38880 770.0 5.729 5.729 2.434 0.000 -0.000 0.000 3/38880 780.0 5.654 5.654 2.402 0.000 -0.000 0.000 3/38880 790.0 5.581 5.581 2.372 0.000 -0.000 0.000 3/38880 800.0 5.510 5.510 2.342 0.000 -0.000 0.000 3/38880 810.0 5.441 5.441 2.313 0.000 -0.000 0.000 3/38880 820.0 5.373 5.373 2.284 0.000 -0.000 0.000 3/38880 830.0 5.308 5.308 2.256 0.000 -0.000 0.000 3/38880 840.0 5.243 5.243 2.229 0.000 -0.000 0.000 3/38880 850.0 5.181 5.181 2.203 0.000 -0.000 0.000 3/38880 860.0 5.120 5.120 2.177 0.000 -0.000 0.000 3/38880 870.0 5.060 5.060 2.152 0.000 -0.000 0.000 3/38880 880.0 5.001 5.001 2.127 0.000 -0.000 0.000 3/38880 890.0 4.944 4.944 2.103 0.000 -0.000 0.000 3/38880 900.0 4.889 4.889 2.080 0.000 -0.000 0.000 3/38880 910.0 4.834 4.834 2.057 0.000 -0.000 0.000 3/38880 920.0 4.781 4.781 2.034 0.000 -0.000 0.000 3/38880 930.0 4.729 4.729 2.012 0.000 -0.000 0.000 3/38880 940.0 4.678 4.678 1.991 0.000 -0.000 0.000 3/38880 950.0 4.628 4.628 1.969 0.000 -0.000 0.000 3/38880 960.0 4.579 4.579 1.949 0.000 -0.000 0.000 3/38880 970.0 4.531 4.531 1.929 0.000 -0.000 0.000 3/38880 980.0 4.485 4.485 1.909 0.000 -0.000 0.000 3/38880 990.0 4.439 4.439 1.889 0.000 -0.000 0.000 3/38880 1000.0 4.394 4.394 1.870 0.000 -0.000 0.000 3/38880Thermal conductivity related properties were written into "kappa-m12125.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 04:48:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|