# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/491b3922-9c5a-493d-97bb-ee9aef592389/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 Ba2MgH6 / P-3m1 (164) / materials id 643370](https://mdr.nims.go.jp/datasets/064eea3f-eccc-477b-ba9e-8f5ec6322247) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 21:10:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)Number of symmetry operations in supercell: 144------------------------------ primitive cell ------------------------------Lattice vectors: a 5.640440541656007 0.000000000000000 0.000000000000000 b -2.820220270828004 4.884764797609761 0.000000000000000 c 0.000000000000000 0.000000000000000 4.478955579999999Atomic positions (fractional): *1 Ba 0.66666666666667 0.33333333333333 0.73327754990396 137.327 2 Ba 0.33333333333333 0.66666666666667 0.26672245009604 137.327 *3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 *4 H 0.34603762242687 0.17301881121343 0.22727426072282 1.008 5 H 0.82698118878657 0.17301881121343 0.22727426072282 1.008 6 H 0.82698118878657 0.65396237757313 0.22727426072282 1.008 7 H 0.65396237757313 0.82698118878657 0.77272573927718 1.008 8 H 0.17301881121343 0.82698118878657 0.77272573927718 1.008 9 H 0.17301881121343 0.34603762242687 0.77272573927718 1.008-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.640440541656007 0.000000000000000 0.000000000000000 b -2.820220270828004 4.884764797609761 0.000000000000000 c 0.000000000000000 0.000000000000000 4.478955579999999Atomic positions (fractional): *1 Ba 0.66666666666667 0.33333333333333 0.73327754990396 137.327 > 1 2 Ba 0.33333333333333 0.66666666666667 0.26672245009604 137.327 > 2 *3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 3 *4 H 0.34603762242687 0.17301881121343 0.22727426072282 1.008 > 4 5 H 0.82698118878657 0.17301881121343 0.22727426072282 1.008 > 5 6 H 0.82698118878657 0.65396237757313 0.22727426072282 1.008 > 6 7 H 0.65396237757313 0.82698118878657 0.77272573927718 1.008 > 7 8 H 0.17301881121343 0.82698118878657 0.77272573927718 1.008 > 8 9 H 0.17301881121343 0.34603762242687 0.77272573927718 1.008 > 9-------------------------------- super cell --------------------------------Lattice vectors: a 11.280881083312014 0.000000000000000 0.000000000000000 b -5.640440541656008 9.769529595219522 0.000000000000000 c 0.000000000000000 0.000000000000000 13.436866739999997Atomic positions (fractional): *1 Ba 0.33333333333333 0.16666666666667 0.24442584996799 137.327 > 1 2 Ba 0.83333333333333 0.16666666666667 0.24442584996799 137.327 > 1 3 Ba 0.33333333333333 0.66666666666667 0.24442584996799 137.327 > 1 4 Ba 0.83333333333333 0.66666666666667 0.24442584996799 137.327 > 1 5 Ba 0.33333333333333 0.16666666666667 0.57775918330132 137.327 > 1 6 Ba 0.83333333333333 0.16666666666667 0.57775918330132 137.327 > 1 7 Ba 0.33333333333333 0.66666666666667 0.57775918330132 137.327 > 1 8 Ba 0.83333333333333 0.66666666666667 0.57775918330132 137.327 > 1 9 Ba 0.33333333333333 0.16666666666667 0.91109251663466 137.327 > 1 10 Ba 0.83333333333333 0.16666666666667 0.91109251663466 137.327 > 1 11 Ba 0.33333333333333 0.66666666666667 0.91109251663466 137.327 > 1 12 Ba 0.83333333333333 0.66666666666667 0.91109251663466 137.327 > 1 13 Ba 0.16666666666667 0.33333333333333 0.08890748336534 137.327 > 2 14 Ba 0.66666666666667 0.33333333333333 0.08890748336534 137.327 > 2 15 Ba 0.16666666666667 0.83333333333333 0.08890748336534 137.327 > 2 16 Ba 0.66666666666667 0.83333333333333 0.08890748336534 137.327 > 2 17 Ba 0.16666666666667 0.33333333333333 0.42224081669868 137.327 > 2 18 Ba 0.66666666666667 0.33333333333333 0.42224081669868 137.327 > 2 19 Ba 0.16666666666667 0.83333333333333 0.42224081669868 137.327 > 2 20 Ba 0.66666666666667 0.83333333333333 0.42224081669868 137.327 > 2 21 Ba 0.16666666666667 0.33333333333333 0.75557415003201 137.327 > 2 22 Ba 0.66666666666667 0.33333333333333 0.75557415003201 137.327 > 2 23 Ba 0.16666666666667 0.83333333333333 0.75557415003201 137.327 > 2 24 Ba 0.66666666666667 0.83333333333333 0.75557415003201 137.327 > 2 *25 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 3 26 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 3 27 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 3 28 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 3 29 Mg 0.00000000000000 0.00000000000000 0.33333333333333 24.305 > 3 30 Mg 0.50000000000000 0.00000000000000 0.33333333333333 24.305 > 3 31 Mg 0.00000000000000 0.50000000000000 0.33333333333333 24.305 > 3 32 Mg 0.50000000000000 0.50000000000000 0.33333333333333 24.305 > 3 33 Mg 0.00000000000000 0.00000000000000 0.66666666666667 24.305 > 3 34 Mg 0.50000000000000 0.00000000000000 0.66666666666667 24.305 > 3 35 Mg 0.00000000000000 0.50000000000000 0.66666666666667 24.305 > 3 36 Mg 0.50000000000000 0.50000000000000 0.66666666666667 24.305 > 3 *37 H 0.17301881121343 0.08650940560672 0.07575808690761 1.008 > 4 38 H 0.67301881121343 0.08650940560672 0.07575808690761 1.008 > 4 39 H 0.17301881121343 0.58650940560672 0.07575808690761 1.008 > 4 40 H 0.67301881121343 0.58650940560672 0.07575808690761 1.008 > 4 41 H 0.17301881121343 0.08650940560672 0.40909142024094 1.008 > 4 42 H 0.67301881121343 0.08650940560672 0.40909142024094 1.008 > 4 43 H 0.17301881121343 0.58650940560672 0.40909142024094 1.008 > 4 44 H 0.67301881121343 0.58650940560672 0.40909142024094 1.008 > 4 45 H 0.17301881121343 0.08650940560672 0.74242475357427 1.008 > 4 46 H 0.67301881121343 0.08650940560672 0.74242475357427 1.008 > 4 47 H 0.17301881121343 0.58650940560672 0.74242475357427 1.008 > 4 48 H 0.67301881121343 0.58650940560672 0.74242475357427 1.008 > 4 49 H 0.41349059439328 0.08650940560672 0.07575808690761 1.008 > 5 50 H 0.91349059439328 0.08650940560672 0.07575808690761 1.008 > 5 51 H 0.41349059439328 0.58650940560672 0.07575808690761 1.008 > 5 52 H 0.91349059439328 0.58650940560672 0.07575808690761 1.008 > 5 53 H 0.41349059439328 0.08650940560672 0.40909142024094 1.008 > 5 54 H 0.91349059439328 0.08650940560672 0.40909142024094 1.008 > 5 55 H 0.41349059439328 0.58650940560672 0.40909142024094 1.008 > 5 56 H 0.91349059439328 0.58650940560672 0.40909142024094 1.008 > 5 57 H 0.41349059439328 0.08650940560672 0.74242475357427 1.008 > 5 58 H 0.91349059439328 0.08650940560672 0.74242475357427 1.008 > 5 59 H 0.41349059439328 0.58650940560672 0.74242475357427 1.008 > 5 60 H 0.91349059439328 0.58650940560672 0.74242475357427 1.008 > 5 61 H 0.41349059439328 0.32698118878657 0.07575808690761 1.008 > 6 62 H 0.91349059439328 0.32698118878657 0.07575808690761 1.008 > 6 63 H 0.41349059439328 0.82698118878657 0.07575808690761 1.008 > 6 64 H 0.91349059439328 0.82698118878657 0.07575808690761 1.008 > 6 65 H 0.41349059439328 0.32698118878657 0.40909142024094 1.008 > 6 66 H 0.91349059439328 0.32698118878657 0.40909142024094 1.008 > 6 67 H 0.41349059439328 0.82698118878657 0.40909142024094 1.008 > 6 68 H 0.91349059439328 0.82698118878657 0.40909142024094 1.008 > 6 69 H 0.41349059439328 0.32698118878657 0.74242475357427 1.008 > 6 70 H 0.91349059439328 0.32698118878657 0.74242475357427 1.008 > 6 71 H 0.41349059439328 0.82698118878657 0.74242475357427 1.008 > 6 72 H 0.91349059439328 0.82698118878657 0.74242475357427 1.008 > 6 73 H 0.32698118878657 0.41349059439328 0.25757524642573 1.008 > 7 74 H 0.82698118878657 0.41349059439328 0.25757524642573 1.008 > 7 75 H 0.32698118878657 0.91349059439328 0.25757524642573 1.008 > 7 76 H 0.82698118878657 0.91349059439328 0.25757524642573 1.008 > 7 77 H 0.32698118878657 0.41349059439328 0.59090857975906 1.008 > 7 78 H 0.82698118878657 0.41349059439328 0.59090857975906 1.008 > 7 79 H 0.32698118878657 0.91349059439328 0.59090857975906 1.008 > 7 80 H 0.82698118878657 0.91349059439328 0.59090857975906 1.008 > 7 81 H 0.32698118878657 0.41349059439328 0.92424191309239 1.008 > 7 82 H 0.82698118878657 0.41349059439328 0.92424191309239 1.008 > 7 83 H 0.32698118878657 0.91349059439328 0.92424191309239 1.008 > 7 84 H 0.82698118878657 0.91349059439328 0.92424191309239 1.008 > 7 85 H 0.08650940560672 0.41349059439328 0.25757524642573 1.008 > 8 86 H 0.58650940560672 0.41349059439328 0.25757524642573 1.008 > 8 87 H 0.08650940560672 0.91349059439328 0.25757524642573 1.008 > 8 88 H 0.58650940560672 0.91349059439328 0.25757524642573 1.008 > 8 89 H 0.08650940560672 0.41349059439328 0.59090857975906 1.008 > 8 90 H 0.58650940560672 0.41349059439328 0.59090857975906 1.008 > 8 91 H 0.08650940560672 0.91349059439328 0.59090857975906 1.008 > 8 92 H 0.58650940560672 0.91349059439328 0.59090857975906 1.008 > 8 93 H 0.08650940560672 0.41349059439328 0.92424191309239 1.008 > 8 94 H 0.58650940560672 0.41349059439328 0.92424191309239 1.008 > 8 95 H 0.08650940560672 0.91349059439328 0.92424191309239 1.008 > 8 96 H 0.58650940560672 0.91349059439328 0.92424191309239 1.008 > 8 97 H 0.08650940560672 0.17301881121343 0.25757524642573 1.008 > 9 98 H 0.58650940560672 0.17301881121343 0.25757524642573 1.008 > 9 99 H 0.08650940560672 0.67301881121343 0.25757524642573 1.008 > 9 100 H 0.58650940560672 0.67301881121343 0.25757524642573 1.008 > 9 101 H 0.08650940560672 0.17301881121343 0.59090857975906 1.008 > 9 102 H 0.58650940560672 0.17301881121343 0.59090857975906 1.008 > 9 103 H 0.08650940560672 0.67301881121343 0.59090857975906 1.008 > 9 104 H 0.58650940560672 0.67301881121343 0.59090857975906 1.008 > 9 105 H 0.08650940560672 0.17301881121343 0.92424191309239 1.008 > 9 106 H 0.58650940560672 0.17301881121343 0.92424191309239 1.008 > 9 107 H 0.08650940560672 0.67301881121343 0.92424191309239 1.008 > 9 108 H 0.58650940560672 0.67301881121343 0.92424191309239 1.008 > 9----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.1928117 0.0000000 0.0000000 0.0000000 5.1928117 0.0000000 0.0000000 0.0000000 5.8250880-------------------------- Born effective charges -------------------------- 1 Ba 2.2842481 0.0000000 -0.0000000 0.0000000 2.2842481 -0.0000000 0.0000000 0.0000000 2.6604121 2 Ba 2.2842481 0.0000000 -0.0000000 0.0000000 2.2842481 -0.0000000 0.0000000 0.0000000 2.6604121 3 Mg 1.8606250 0.0000000 -0.0000000 0.0000000 1.8606250 -0.0000000 0.0000000 0.0000000 1.4139016 4 H -1.0075581 0.1107855 -0.0947867 0.1107855 -1.1354823 -0.0547251 -0.0771501 -0.0445426 -1.1224543 5 H -1.0075581 -0.1107855 0.0947867 -0.1107855 -1.1354823 -0.0547251 0.0771501 -0.0445426 -1.1224543 6 H -1.1994443 -0.0000000 0.0000000 0.0000000 -0.9435961 0.1094503 0.0000000 0.0890852 -1.1224543 7 H -1.0075581 0.1107855 -0.0947867 0.1107855 -1.1354823 -0.0547251 -0.0771501 -0.0445426 -1.1224543 8 H -1.0075581 -0.1107855 0.0947867 -0.1107855 -1.1354823 -0.0547251 0.0771501 -0.0445426 -1.1224543 9 H -1.1994443 -0.0000000 0.0000000 0.0000000 -0.9435961 0.1094503 0.0000000 0.0890852 -1.1224543----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 324/324Permutation basis: 4806/4806Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 430Number of blocks in projector: 280Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 194Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 158Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 78Use standard eigh solver.Tree of FC basis block matrices:- (430, 421), data: False|-- (78, 75), data: True|-- (158, 156), data: True|-- (194, 190), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.011Solver_block: 100 / 160 - Time: 0.321Solver_block: 160 / 160 - Time: 0.222Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.557--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324Permutation basis: 4806/4806Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 430Number of blocks in projector: 280Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 194Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 158Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 78Use standard eigh solver.Tree of FC basis block matrices:- (430, 421), data: False|-- (78, 75), data: True|-- (158, 156), data: True|-- (194, 190), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 21:10:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:10:56]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 3]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.640440541656007 0.000000000000000 0.000000000000000 b -2.820220270828004 4.884764797609761 0.000000000000000 c 0.000000000000000 0.000000000000000 4.478955579999999Atomic positions (fractional): 1 Ba 0.66666666666667 0.33333333333333 0.73327754990396 137.327 2 Ba 0.33333333333333 0.66666666666667 0.26672245009604 137.327 3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 4 H 0.34603762242687 0.17301881121343 0.22727426072282 1.008 5 H 0.82698118878657 0.17301881121343 0.22727426072282 1.008 6 H 0.82698118878657 0.65396237757313 0.22727426072282 1.008 7 H 0.65396237757313 0.82698118878657 0.77272573927718 1.008 8 H 0.17301881121343 0.82698118878657 0.77272573927718 1.008 9 H 0.17301881121343 0.34603762242687 0.77272573927718 1.008-------------------------------- supercell ---------------------------------Lattice vectors: a 11.280881083312014 0.000000000000000 0.000000000000000 b -5.640440541656008 9.769529595219522 0.000000000000000 c 0.000000000000000 0.000000000000000 13.436866739999997Atomic positions (fractional): 1 Ba 0.33333333333333 0.16666666666667 0.24442584996799 137.327 > 1 2 Ba 0.83333333333333 0.16666666666667 0.24442584996799 137.327 > 1 3 Ba 0.33333333333333 0.66666666666667 0.24442584996799 137.327 > 1 4 Ba 0.83333333333333 0.66666666666667 0.24442584996799 137.327 > 1 5 Ba 0.33333333333333 0.16666666666667 0.57775918330132 137.327 > 1 6 Ba 0.83333333333333 0.16666666666667 0.57775918330132 137.327 > 1 7 Ba 0.33333333333333 0.66666666666667 0.57775918330132 137.327 > 1 8 Ba 0.83333333333333 0.66666666666667 0.57775918330132 137.327 > 1 9 Ba 0.33333333333333 0.16666666666667 0.91109251663466 137.327 > 1 10 Ba 0.83333333333333 0.16666666666667 0.91109251663466 137.327 > 1 11 Ba 0.33333333333333 0.66666666666667 0.91109251663466 137.327 > 1 12 Ba 0.83333333333333 0.66666666666667 0.91109251663466 137.327 > 1 13 Ba 0.16666666666667 0.33333333333333 0.08890748336534 137.327 > 13 14 Ba 0.66666666666667 0.33333333333333 0.08890748336534 137.327 > 13 15 Ba 0.16666666666667 0.83333333333333 0.08890748336534 137.327 > 13 16 Ba 0.66666666666667 0.83333333333333 0.08890748336534 137.327 > 13 17 Ba 0.16666666666667 0.33333333333333 0.42224081669868 137.327 > 13 18 Ba 0.66666666666667 0.33333333333333 0.42224081669868 137.327 > 13 19 Ba 0.16666666666667 0.83333333333333 0.42224081669868 137.327 > 13 20 Ba 0.66666666666667 0.83333333333333 0.42224081669868 137.327 > 13 21 Ba 0.16666666666667 0.33333333333333 0.75557415003201 137.327 > 13 22 Ba 0.66666666666667 0.33333333333333 0.75557415003201 137.327 > 13 23 Ba 0.16666666666667 0.83333333333333 0.75557415003201 137.327 > 13 24 Ba 0.66666666666667 0.83333333333333 0.75557415003201 137.327 > 13 25 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 25 26 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 25 27 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 25 28 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 25 29 Mg 0.00000000000000 0.00000000000000 0.33333333333333 24.305 > 25 30 Mg 0.50000000000000 0.00000000000000 0.33333333333333 24.305 > 25 31 Mg 0.00000000000000 0.50000000000000 0.33333333333333 24.305 > 25 32 Mg 0.50000000000000 0.50000000000000 0.33333333333333 24.305 > 25 33 Mg 0.00000000000000 0.00000000000000 0.66666666666667 24.305 > 25 34 Mg 0.50000000000000 0.00000000000000 0.66666666666667 24.305 > 25 35 Mg 0.00000000000000 0.50000000000000 0.66666666666667 24.305 > 25 36 Mg 0.50000000000000 0.50000000000000 0.66666666666667 24.305 > 25 37 H 0.17301881121343 0.08650940560672 0.07575808690761 1.008 > 37 38 H 0.67301881121343 0.08650940560672 0.07575808690761 1.008 > 37 39 H 0.17301881121343 0.58650940560672 0.07575808690761 1.008 > 37 40 H 0.67301881121343 0.58650940560672 0.07575808690761 1.008 > 37 41 H 0.17301881121343 0.08650940560672 0.40909142024094 1.008 > 37 42 H 0.67301881121343 0.08650940560672 0.40909142024094 1.008 > 37 43 H 0.17301881121343 0.58650940560672 0.40909142024094 1.008 > 37 44 H 0.67301881121343 0.58650940560672 0.40909142024094 1.008 > 37 45 H 0.17301881121343 0.08650940560672 0.74242475357427 1.008 > 37 46 H 0.67301881121343 0.08650940560672 0.74242475357427 1.008 > 37 47 H 0.17301881121343 0.58650940560672 0.74242475357427 1.008 > 37 48 H 0.67301881121343 0.58650940560672 0.74242475357427 1.008 > 37 49 H 0.41349059439328 0.08650940560672 0.07575808690761 1.008 > 49 50 H 0.91349059439328 0.08650940560672 0.07575808690761 1.008 > 49 51 H 0.41349059439328 0.58650940560672 0.07575808690761 1.008 > 49 52 H 0.91349059439328 0.58650940560672 0.07575808690761 1.008 > 49 53 H 0.41349059439328 0.08650940560672 0.40909142024094 1.008 > 49 54 H 0.91349059439328 0.08650940560672 0.40909142024094 1.008 > 49 55 H 0.41349059439328 0.58650940560672 0.40909142024094 1.008 > 49 56 H 0.91349059439328 0.58650940560672 0.40909142024094 1.008 > 49 57 H 0.41349059439328 0.08650940560672 0.74242475357427 1.008 > 49 58 H 0.91349059439328 0.08650940560672 0.74242475357427 1.008 > 49 59 H 0.41349059439328 0.58650940560672 0.74242475357427 1.008 > 49 60 H 0.91349059439328 0.58650940560672 0.74242475357427 1.008 > 49 61 H 0.41349059439328 0.32698118878657 0.07575808690761 1.008 > 61 62 H 0.91349059439328 0.32698118878657 0.07575808690761 1.008 > 61 63 H 0.41349059439328 0.82698118878657 0.07575808690761 1.008 > 61 64 H 0.91349059439328 0.82698118878657 0.07575808690761 1.008 > 61 65 H 0.41349059439328 0.32698118878657 0.40909142024094 1.008 > 61 66 H 0.91349059439328 0.32698118878657 0.40909142024094 1.008 > 61 67 H 0.41349059439328 0.82698118878657 0.40909142024094 1.008 > 61 68 H 0.91349059439328 0.82698118878657 0.40909142024094 1.008 > 61 69 H 0.41349059439328 0.32698118878657 0.74242475357427 1.008 > 61 70 H 0.91349059439328 0.32698118878657 0.74242475357427 1.008 > 61 71 H 0.41349059439328 0.82698118878657 0.74242475357427 1.008 > 61 72 H 0.91349059439328 0.82698118878657 0.74242475357427 1.008 > 61 73 H 0.32698118878657 0.41349059439328 0.25757524642573 1.008 > 73 74 H 0.82698118878657 0.41349059439328 0.25757524642573 1.008 > 73 75 H 0.32698118878657 0.91349059439328 0.25757524642573 1.008 > 73 76 H 0.82698118878657 0.91349059439328 0.25757524642573 1.008 > 73 77 H 0.32698118878657 0.41349059439328 0.59090857975906 1.008 > 73 78 H 0.82698118878657 0.41349059439328 0.59090857975906 1.008 > 73 79 H 0.32698118878657 0.91349059439328 0.59090857975906 1.008 > 73 80 H 0.82698118878657 0.91349059439328 0.59090857975906 1.008 > 73 81 H 0.32698118878657 0.41349059439328 0.92424191309239 1.008 > 73 82 H 0.82698118878657 0.41349059439328 0.92424191309239 1.008 > 73 83 H 0.32698118878657 0.91349059439328 0.92424191309239 1.008 > 73 84 H 0.82698118878657 0.91349059439328 0.92424191309239 1.008 > 73 85 H 0.08650940560672 0.41349059439328 0.25757524642573 1.008 > 85 86 H 0.58650940560672 0.41349059439328 0.25757524642573 1.008 > 85 87 H 0.08650940560672 0.91349059439328 0.25757524642573 1.008 > 85 88 H 0.58650940560672 0.91349059439328 0.25757524642573 1.008 > 85 89 H 0.08650940560672 0.41349059439328 0.59090857975906 1.008 > 85 90 H 0.58650940560672 0.41349059439328 0.59090857975906 1.008 > 85 91 H 0.08650940560672 0.91349059439328 0.59090857975906 1.008 > 85 92 H 0.58650940560672 0.91349059439328 0.59090857975906 1.008 > 85 93 H 0.08650940560672 0.41349059439328 0.92424191309239 1.008 > 85 94 H 0.58650940560672 0.41349059439328 0.92424191309239 1.008 > 85 95 H 0.08650940560672 0.91349059439328 0.92424191309239 1.008 > 85 96 H 0.58650940560672 0.91349059439328 0.92424191309239 1.008 > 85 97 H 0.08650940560672 0.17301881121343 0.25757524642573 1.008 > 97 98 H 0.58650940560672 0.17301881121343 0.25757524642573 1.008 > 97 99 H 0.08650940560672 0.67301881121343 0.25757524642573 1.008 > 97 100 H 0.58650940560672 0.67301881121343 0.25757524642573 1.008 > 97 101 H 0.08650940560672 0.17301881121343 0.59090857975906 1.008 > 97 102 H 0.58650940560672 0.17301881121343 0.59090857975906 1.008 > 97 103 H 0.08650940560672 0.67301881121343 0.59090857975906 1.008 > 97 104 H 0.58650940560672 0.67301881121343 0.59090857975906 1.008 > 97 105 H 0.08650940560672 0.17301881121343 0.92424191309239 1.008 > 97 106 H 0.58650940560672 0.17301881121343 0.92424191309239 1.008 > 97 107 H 0.08650940560672 0.67301881121343 0.92424191309239 1.008 > 97 108 H 0.58650940560672 0.67301881121343 0.92424191309239 1.008 > 97----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.1928117 0.0000000 0.0000000 0.0000000 5.1928117 0.0000000 0.0000000 0.0000000 5.8250880-------------------------- Born effective charges -------------------------- 1 Ba 2.2842481 0.0000000 -0.0000000 0.0000000 2.2842481 -0.0000000 0.0000000 0.0000000 2.6604121 2 Ba 2.2842481 0.0000000 -0.0000000 0.0000000 2.2842481 -0.0000000 0.0000000 0.0000000 2.6604121 3 Mg 1.8606250 0.0000000 -0.0000000 0.0000000 1.8606250 -0.0000000 0.0000000 0.0000000 1.4139016 4 H -1.0075581 0.1107855 -0.0947867 0.1107855 -1.1354823 -0.0547251 -0.0771501 -0.0445426 -1.1224543 5 H -1.0075581 -0.1107855 0.0947867 -0.1107855 -1.1354823 -0.0547251 0.0771501 -0.0445426 -1.1224543 6 H -1.1994443 -0.0000000 0.0000000 0.0000000 -0.9435961 0.1094503 0.0000000 0.0890852 -1.1224543 7 H -1.0075581 0.1107855 -0.0947867 0.1107855 -1.1354823 -0.0547251 -0.0771501 -0.0445426 -1.1224543 8 H -1.0075581 -0.1107855 0.0947867 -0.1107855 -1.1354823 -0.0547251 0.0771501 -0.0445426 -1.1224543 9 H -1.1994443 -0.0000000 0.0000000 0.0000000 -0.9435961 0.1094503 0.0000000 0.0890852 -1.1224543----------------------------------------------------------------------------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[ 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]Computing fc3[ 37, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (xxy) 0.00000000 (xxy) 0.00000000 (xyx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:11:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:11:03]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 3]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P-3m1 (164)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.640440541656007 0.000000000000000 0.000000000000000 b -2.820220270828004 4.884764797609761 0.000000000000000 c 0.000000000000000 0.000000000000000 4.478955579999999Atomic positions (fractional): 1 Ba 0.66666666666667 0.33333333333333 0.73327754990396 137.327 2 Ba 0.33333333333333 0.66666666666667 0.26672245009604 137.327 3 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 4 H 0.34603762242687 0.17301881121343 0.22727426072282 1.008 5 H 0.82698118878657 0.17301881121343 0.22727426072282 1.008 6 H 0.82698118878657 0.65396237757313 0.22727426072282 1.008 7 H 0.65396237757313 0.82698118878657 0.77272573927718 1.008 8 H 0.17301881121343 0.82698118878657 0.77272573927718 1.008 9 H 0.17301881121343 0.34603762242687 0.77272573927718 1.008-------------------------------- supercell ---------------------------------Lattice vectors: a 11.280881083312014 0.000000000000000 0.000000000000000 b -5.640440541656008 9.769529595219522 0.000000000000000 c 0.000000000000000 0.000000000000000 13.436866739999997Atomic positions (fractional): 1 Ba 0.33333333333333 0.16666666666667 0.24442584996799 137.327 > 1 2 Ba 0.83333333333333 0.16666666666667 0.24442584996799 137.327 > 1 3 Ba 0.33333333333333 0.66666666666667 0.24442584996799 137.327 > 1 4 Ba 0.83333333333333 0.66666666666667 0.24442584996799 137.327 > 1 5 Ba 0.33333333333333 0.16666666666667 0.57775918330132 137.327 > 1 6 Ba 0.83333333333333 0.16666666666667 0.57775918330132 137.327 > 1 7 Ba 0.33333333333333 0.66666666666667 0.57775918330132 137.327 > 1 8 Ba 0.83333333333333 0.66666666666667 0.57775918330132 137.327 > 1 9 Ba 0.33333333333333 0.16666666666667 0.91109251663466 137.327 > 1 10 Ba 0.83333333333333 0.16666666666667 0.91109251663466 137.327 > 1 11 Ba 0.33333333333333 0.66666666666667 0.91109251663466 137.327 > 1 12 Ba 0.83333333333333 0.66666666666667 0.91109251663466 137.327 > 1 13 Ba 0.16666666666667 0.33333333333333 0.08890748336534 137.327 > 13 14 Ba 0.66666666666667 0.33333333333333 0.08890748336534 137.327 > 13 15 Ba 0.16666666666667 0.83333333333333 0.08890748336534 137.327 > 13 16 Ba 0.66666666666667 0.83333333333333 0.08890748336534 137.327 > 13 17 Ba 0.16666666666667 0.33333333333333 0.42224081669868 137.327 > 13 18 Ba 0.66666666666667 0.33333333333333 0.42224081669868 137.327 > 13 19 Ba 0.16666666666667 0.83333333333333 0.42224081669868 137.327 > 13 20 Ba 0.66666666666667 0.83333333333333 0.42224081669868 137.327 > 13 21 Ba 0.16666666666667 0.33333333333333 0.75557415003201 137.327 > 13 22 Ba 0.66666666666667 0.33333333333333 0.75557415003201 137.327 > 13 23 Ba 0.16666666666667 0.83333333333333 0.75557415003201 137.327 > 13 24 Ba 0.66666666666667 0.83333333333333 0.75557415003201 137.327 > 13 25 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 25 26 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 25 27 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 25 28 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 25 29 Mg 0.00000000000000 0.00000000000000 0.33333333333333 24.305 > 25 30 Mg 0.50000000000000 0.00000000000000 0.33333333333333 24.305 > 25 31 Mg 0.00000000000000 0.50000000000000 0.33333333333333 24.305 > 25 32 Mg 0.50000000000000 0.50000000000000 0.33333333333333 24.305 > 25 33 Mg 0.00000000000000 0.00000000000000 0.66666666666667 24.305 > 25 34 Mg 0.50000000000000 0.00000000000000 0.66666666666667 24.305 > 25 35 Mg 0.00000000000000 0.50000000000000 0.66666666666667 24.305 > 25 36 Mg 0.50000000000000 0.50000000000000 0.66666666666667 24.305 > 25 37 H 0.17301881121343 0.08650940560672 0.07575808690761 1.008 > 37 38 H 0.67301881121343 0.08650940560672 0.07575808690761 1.008 > 37 39 H 0.17301881121343 0.58650940560672 0.07575808690761 1.008 > 37 40 H 0.67301881121343 0.58650940560672 0.07575808690761 1.008 > 37 41 H 0.17301881121343 0.08650940560672 0.40909142024094 1.008 > 37 42 H 0.67301881121343 0.08650940560672 0.40909142024094 1.008 > 37 43 H 0.17301881121343 0.58650940560672 0.40909142024094 1.008 > 37 44 H 0.67301881121343 0.58650940560672 0.40909142024094 1.008 > 37 45 H 0.17301881121343 0.08650940560672 0.74242475357427 1.008 > 37 46 H 0.67301881121343 0.08650940560672 0.74242475357427 1.008 > 37 47 H 0.17301881121343 0.58650940560672 0.74242475357427 1.008 > 37 48 H 0.67301881121343 0.58650940560672 0.74242475357427 1.008 > 37 49 H 0.41349059439328 0.08650940560672 0.07575808690761 1.008 > 49 50 H 0.91349059439328 0.08650940560672 0.07575808690761 1.008 > 49 51 H 0.41349059439328 0.58650940560672 0.07575808690761 1.008 > 49 52 H 0.91349059439328 0.58650940560672 0.07575808690761 1.008 > 49 53 H 0.41349059439328 0.08650940560672 0.40909142024094 1.008 > 49 54 H 0.91349059439328 0.08650940560672 0.40909142024094 1.008 > 49 55 H 0.41349059439328 0.58650940560672 0.40909142024094 1.008 > 49 56 H 0.91349059439328 0.58650940560672 0.40909142024094 1.008 > 49 57 H 0.41349059439328 0.08650940560672 0.74242475357427 1.008 > 49 58 H 0.91349059439328 0.08650940560672 0.74242475357427 1.008 > 49 59 H 0.41349059439328 0.58650940560672 0.74242475357427 1.008 > 49 60 H 0.91349059439328 0.58650940560672 0.74242475357427 1.008 > 49 61 H 0.41349059439328 0.32698118878657 0.07575808690761 1.008 > 61 62 H 0.91349059439328 0.32698118878657 0.07575808690761 1.008 > 61 63 H 0.41349059439328 0.82698118878657 0.07575808690761 1.008 > 61 64 H 0.91349059439328 0.82698118878657 0.07575808690761 1.008 > 61 65 H 0.41349059439328 0.32698118878657 0.40909142024094 1.008 > 61 66 H 0.91349059439328 0.32698118878657 0.40909142024094 1.008 > 61 67 H 0.41349059439328 0.82698118878657 0.40909142024094 1.008 > 61 68 H 0.91349059439328 0.82698118878657 0.40909142024094 1.008 > 61 69 H 0.41349059439328 0.32698118878657 0.74242475357427 1.008 > 61 70 H 0.91349059439328 0.32698118878657 0.74242475357427 1.008 > 61 71 H 0.41349059439328 0.82698118878657 0.74242475357427 1.008 > 61 72 H 0.91349059439328 0.82698118878657 0.74242475357427 1.008 > 61 73 H 0.32698118878657 0.41349059439328 0.25757524642573 1.008 > 73 74 H 0.82698118878657 0.41349059439328 0.25757524642573 1.008 > 73 75 H 0.32698118878657 0.91349059439328 0.25757524642573 1.008 > 73 76 H 0.82698118878657 0.91349059439328 0.25757524642573 1.008 > 73 77 H 0.32698118878657 0.41349059439328 0.59090857975906 1.008 > 73 78 H 0.82698118878657 0.41349059439328 0.59090857975906 1.008 > 73 79 H 0.32698118878657 0.91349059439328 0.59090857975906 1.008 > 73 80 H 0.82698118878657 0.91349059439328 0.59090857975906 1.008 > 73 81 H 0.32698118878657 0.41349059439328 0.92424191309239 1.008 > 73 82 H 0.82698118878657 0.41349059439328 0.92424191309239 1.008 > 73 83 H 0.32698118878657 0.91349059439328 0.92424191309239 1.008 > 73 84 H 0.82698118878657 0.91349059439328 0.92424191309239 1.008 > 73 85 H 0.08650940560672 0.41349059439328 0.25757524642573 1.008 > 85 86 H 0.58650940560672 0.41349059439328 0.25757524642573 1.008 > 85 87 H 0.08650940560672 0.91349059439328 0.25757524642573 1.008 > 85 88 H 0.58650940560672 0.91349059439328 0.25757524642573 1.008 > 85 89 H 0.08650940560672 0.41349059439328 0.59090857975906 1.008 > 85 90 H 0.58650940560672 0.41349059439328 0.59090857975906 1.008 > 85 91 H 0.08650940560672 0.91349059439328 0.59090857975906 1.008 > 85 92 H 0.58650940560672 0.91349059439328 0.59090857975906 1.008 > 85 93 H 0.08650940560672 0.41349059439328 0.92424191309239 1.008 > 85 94 H 0.58650940560672 0.41349059439328 0.92424191309239 1.008 > 85 95 H 0.08650940560672 0.91349059439328 0.92424191309239 1.008 > 85 96 H 0.58650940560672 0.91349059439328 0.92424191309239 1.008 > 85 97 H 0.08650940560672 0.17301881121343 0.25757524642573 1.008 > 97 98 H 0.58650940560672 0.17301881121343 0.25757524642573 1.008 > 97 99 H 0.08650940560672 0.67301881121343 0.25757524642573 1.008 > 97 100 H 0.58650940560672 0.67301881121343 0.25757524642573 1.008 > 97 101 H 0.08650940560672 0.17301881121343 0.59090857975906 1.008 > 97 102 H 0.58650940560672 0.17301881121343 0.59090857975906 1.008 > 97 103 H 0.08650940560672 0.67301881121343 0.59090857975906 1.008 > 97 104 H 0.58650940560672 0.67301881121343 0.59090857975906 1.008 > 97 105 H 0.08650940560672 0.17301881121343 0.92424191309239 1.008 > 97 106 H 0.58650940560672 0.17301881121343 0.92424191309239 1.008 > 97 107 H 0.08650940560672 0.67301881121343 0.92424191309239 1.008 > 97 108 H 0.58650940560672 0.67301881121343 0.92424191309239 1.008 > 97----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.1928117 0.0000000 0.0000000 0.0000000 5.1928117 0.0000000 0.0000000 0.0000000 5.8250880-------------------------- Born effective charges -------------------------- 1 Ba 2.2842481 0.0000000 -0.0000000 0.0000000 2.2842481 -0.0000000 0.0000000 0.0000000 2.6604121 2 Ba 2.2842481 0.0000000 -0.0000000 0.0000000 2.2842481 -0.0000000 0.0000000 0.0000000 2.6604121 3 Mg 1.8606250 0.0000000 -0.0000000 0.0000000 1.8606250 -0.0000000 0.0000000 0.0000000 1.4139016 4 H -1.0075581 0.1107855 -0.0947867 0.1107855 -1.1354823 -0.0547251 -0.0771501 -0.0445426 -1.1224543 5 H -1.0075581 -0.1107855 0.0947867 -0.1107855 -1.1354823 -0.0547251 0.0771501 -0.0445426 -1.1224543 6 H -1.1994443 -0.0000000 0.0000000 0.0000000 -0.9435961 0.1094503 0.0000000 0.0890852 -1.1224543 7 H -1.0075581 0.1107855 -0.0947867 0.1107855 -1.1354823 -0.0547251 -0.0771501 -0.0445426 -1.1224543 8 H -1.0075581 -0.1107855 0.0947867 -0.1107855 -1.1354823 -0.0547251 0.0771501 -0.0445426 -1.1224543 9 H -1.1994443 -0.0000000 0.0000000 0.0000000 -0.9435961 0.1094503 0.0000000 0.0890852 -1.1224543----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xxy) 0.00000000 (xxy) 0.00000000 (xyx)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 ... [ 10 10 11 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.83, Number of G-points: 283, Lambda: 0.20Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/124) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 12.994 ( 0.000 0.000 0.000) 0.000 17.001 ( 0.000 0.000 0.000) 0.000 17.001 ( 0.000 0.000 0.000) 0.000 17.975 ( 0.000 0.000 0.000) 0.000 17.975 ( 0.000 0.000 0.000) 0.000 18.229 ( 0.000 0.000 0.000) 0.000 19.669 ( 0.000 0.000 0.000) 0.000 21.686 ( 0.000 0.000 0.000) 0.000 21.686 ( 0.000 0.000 0.000) 0.000 22.574 ( 0.000 0.000 0.000) 0.000 22.574 ( 0.000 0.000 0.000) 0.000 24.483 ( 0.000 0.000 0.000) 0.000 28.414 ( 0.000 0.000 0.000) 0.000 28.414 ( 0.000 0.000 0.000) 0.000 31.713 ( 0.000 0.000 0.000) 0.000 31.947 ( 0.000 0.000 0.000) 0.000 31.947 ( 0.000 0.000 0.000) 0.000 35.718 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/124) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.581 ( 24.108 13.919 7.129) 28.736 0.603 ( 24.902 14.377 7.219) 29.647 0.981 ( 40.114 23.160 -8.391) 47.074 2.970 ( -1.958 -1.131 0.364) 2.290 3.095 ( -4.712 -2.720 0.064) 5.441 3.133 ( -1.790 -1.033 -0.812) 2.220 5.018 ( 1.975 1.140 -0.104) 2.283 7.323 ( -0.271 -0.156 -0.369) 0.484 7.790 ( -1.843 -1.064 0.269) 2.146 13.333 ( 27.362 15.797 -0.192) 31.595 17.067 ( 5.218 3.013 -4.628) 7.597 17.780 ( -8.485 -4.899 2.643) 10.148 17.954 ( -1.159 -0.669 4.618) 4.808 18.544 ( 17.993 10.388 -5.146) 21.404 19.871 ( 15.857 9.155 0.032) 18.310 21.291 ( -1.168 -0.675 7.943) 8.057 21.627 ( -4.646 -2.682 -6.903) 8.743 22.621 ( 3.848 2.222 6.715) 8.052 22.798 ( 17.830 10.294 -6.684) 21.646 24.529 ( 3.950 2.280 -0.046) 4.561 26.039 ( -0.330 -0.190 -0.648) 0.752 28.413 ( -0.016 -0.009 1.016) 1.016 28.472 ( 5.064 2.924 3.244) 6.687 31.685 ( -2.472 -1.427 4.331) 5.188 31.949 ( 0.229 0.132 -0.716) 0.764 33.711 ( 0.230 0.133 -5.543) 5.549 35.714 ( -0.288 -0.166 -0.041) 0.335======================= Grid point 2 (3/124) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 22.053 12.732 7.136) 26.446 1.164 ( 22.364 12.912 6.915) 26.733 1.860 ( 33.200 19.168 -7.510) 39.065 2.883 ( -5.793 -3.344 3.969) 7.778 2.969 ( -4.645 -2.682 -3.818) 6.584 3.069 ( -3.600 -2.078 -1.641) 4.469 5.079 ( 2.917 1.684 0.035) 3.368 7.318 ( -0.109 -0.063 -0.419) 0.437 7.728 ( -3.274 -1.890 0.539) 3.819 14.178 ( 41.148 23.757 -1.342) 47.533 17.225 ( 7.840 4.526 -9.426) 13.069 17.653 ( -2.189 -1.264 1.805) 3.105 17.949 ( 0.952 0.549 10.617) 10.674 18.950 ( 15.038 8.682 -6.075) 18.396 20.322 ( 19.894 11.486 0.320) 22.974 21.275 ( -0.095 -0.055 10.288) 10.289 21.491 ( -6.338 -3.659 -10.016) 12.405 22.756 ( 7.799 4.503 9.065) 12.778 23.349 ( 27.441 15.843 -8.646) 32.845 24.674 ( 8.250 4.763 -0.027) 9.527 26.017 ( -1.808 -1.044 -0.909) 2.277 28.414 ( 0.172 0.100 1.635) 1.647 28.657 ( 10.547 6.089 5.511) 13.368 31.591 ( -5.647 -3.260 7.036) 9.593 31.957 ( 0.345 0.199 -1.172) 1.237 33.715 ( 0.045 0.026 -8.743) 8.743 35.708 ( -0.200 -0.116 -0.254) 0.344======================= Grid point 3 (4/124) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.613 ( 18.700 10.797 7.086) 22.726 1.650 ( 18.479 10.669 6.185) 22.216 2.431 ( 9.463 5.463 -4.991) 12.012 2.757 ( -2.969 -1.714 5.106) 6.150 2.930 ( 5.094 2.941 -7.163) 9.268 2.963 ( -5.301 -3.061 -2.393) 6.572 5.147 ( 2.646 1.528 0.295) 3.070 7.319 ( 0.152 0.088 -0.225) 0.286 7.642 ( -3.734 -2.156 0.698) 4.368 15.131 ( 36.446 21.042 -3.409) 42.222 17.441 ( 10.668 6.159 -12.671) 17.672 17.665 ( 2.747 1.586 1.112) 3.361 17.990 ( 2.101 1.213 16.441) 16.619 19.212 ( 6.767 3.907 -5.276) 9.429 20.707 ( 11.081 6.398 0.378) 12.801 21.282 ( 0.591 0.341 8.249) 8.277 21.351 ( -5.021 -2.899 -9.001) 10.707 22.994 ( 11.949 6.899 7.281) 15.601 24.039 ( 29.799 17.205 -8.538) 35.452 24.900 ( 10.217 5.899 1.350) 11.875 25.937 ( -5.360 -3.095 -0.917) 6.257 28.422 ( 0.414 0.239 1.621) 1.690 28.962 ( 14.739 8.509 5.710) 17.951 31.416 ( -8.995 -5.193 7.112) 12.588 31.965 ( 0.323 0.186 -1.191) 1.248 33.711 ( -0.340 -0.196 -8.415) 8.424 35.707 ( 0.159 0.092 -0.518) 0.550======================= Grid point 4 (5/124) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.002 ( 13.923 8.038 7.086) 17.569 2.024 ( 12.621 7.287 4.545) 15.266 2.397 ( -5.002 -2.888 -3.404) 6.705 2.652 ( -5.967 -3.445 0.300) 6.896 2.827 ( -5.834 -3.368 -2.560) 7.206 3.217 ( 12.187 7.036 -3.944) 14.615 5.197 ( 1.517 0.876 0.334) 1.783 7.323 ( 0.189 0.109 -0.049) 0.224 7.564 ( -2.607 -1.505 0.532) 3.057 15.794 ( 18.583 10.729 -3.750) 21.783 17.720 ( 11.774 6.798 -15.888) 20.911 17.752 ( 3.798 2.193 0.573) 4.422 18.027 ( 0.544 0.314 20.451) 20.460 19.285 ( 0.325 0.187 -2.874) 2.899 20.834 ( 0.888 0.513 -1.381) 1.720 21.270 ( -1.861 -1.074 -3.754) 4.326 21.299 ( 0.691 0.399 4.138) 4.214 23.270 ( 9.856 5.691 3.632) 11.947 24.700 ( 24.456 14.119 -9.438) 29.774 25.123 ( 8.286 4.784 6.522) 11.580 25.748 ( -10.802 -6.237 -1.594) 12.575 28.432 ( 0.375 0.216 0.993) 1.083 29.308 ( 13.017 7.515 3.518) 15.437 31.190 ( -9.069 -5.236 4.493) 11.396 31.971 ( 0.195 0.113 -0.748) 0.781 33.702 ( -0.382 -0.221 -5.010) 5.029 35.713 ( 0.290 0.167 -0.465) 0.573======================= Grid point 5 (6/124) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.192 ( 0.000 0.000 0.000) 0.000 2.216 ( 0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 -0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.739 ( -0.000 -0.000 -0.000) 0.000 3.369 ( 0.000 0.000 -0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 -0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 16.009 ( 0.000 0.000 -0.000) 0.000 17.805 ( 0.000 0.000 -0.000) 0.000 17.897 ( 0.000 0.000 0.000) 0.000 18.016 ( 0.000 0.000 -0.000) 0.000 19.280 ( 0.000 0.000 0.000) 0.000 20.830 ( 0.000 0.000 0.000) 0.000 21.250 ( 0.000 0.000 -0.000) 0.000 21.308 ( 0.000 0.000 -0.000) 0.000 23.396 ( 0.000 0.000 0.000) 0.000 25.035 ( 0.000 0.000 -0.000) 0.000 25.301 ( 0.000 0.000 0.000) 0.000 25.503 ( -0.000 -0.000 -0.000) 0.000 28.437 ( 0.000 0.000 -0.000) 0.000 29.483 ( 0.000 0.000 0.000) 0.000 31.064 ( 0.000 0.000 0.000) 0.000 31.973 ( 0.000 0.000 -0.000) 0.000 33.697 ( 0.000 0.000 -0.000) 0.000 35.717 ( 0.000 0.000 -0.000) 0.000======================= Grid point 12 (7/124) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( 11.477 19.878 0.000) 22.953 1.131 ( 14.841 25.705 0.000) 29.682 1.633 ( 20.649 35.764 0.000) 41.297 2.922 ( -2.076 -3.595 0.000) 4.151 2.978 ( -4.555 -7.890 0.000) 9.111 3.107 ( -0.952 -1.648 0.000) 1.903 5.060 ( 1.592 2.758 0.000) 3.184 7.321 ( -0.021 -0.036 0.000) 0.042 7.748 ( -1.708 -2.959 0.000) 3.416 13.929 ( 23.107 40.022 0.000) 46.213 17.216 ( 6.033 10.449 0.000) 12.066 17.683 ( -1.818 -3.150 0.000) 3.637 17.920 ( -0.690 -1.195 0.000) 1.379 18.861 ( 10.050 17.407 0.000) 20.100 20.184 ( 11.288 19.551 0.000) 22.576 21.228 ( -2.220 -3.845 0.000) 4.440 21.574 ( -1.988 -3.444 0.000) 3.977 22.695 ( 3.170 5.490 0.000) 6.340 23.188 ( 14.939 25.876 0.000) 29.879 24.625 ( 4.124 7.142 0.000) 8.247 26.019 ( -1.133 -1.962 0.000) 2.265 28.487 ( 2.431 4.210 0.000) 4.861 28.525 ( 3.116 5.397 0.000) 6.232 31.580 ( -4.670 -8.088 0.000) 9.339 32.004 ( 2.405 4.166 0.000) 4.810 33.707 ( -0.318 -0.551 0.000) 0.637 35.709 ( -0.143 -0.247 0.000) 0.286======================= Grid point 13 (8/124) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( 17.787 11.356 3.733) 21.431 1.618 ( 12.377 21.834 3.709) 25.370 2.308 ( 18.056 22.338 -3.415) 28.925 2.789 ( -5.201 -6.239 5.150) 9.617 2.843 ( -1.633 -7.792 -5.350) 9.592 3.072 ( -2.477 2.041 -1.411) 3.506 5.122 ( 2.170 2.362 0.115) 3.209 7.323 ( 0.015 0.613 -0.168) 0.636 7.673 ( -2.837 -3.306 0.363) 4.372 14.847 ( 30.597 39.544 -1.431) 50.020 17.443 ( 4.489 13.745 -7.490) 16.284 17.685 ( 0.273 6.904 -1.209) 7.015 17.936 ( 4.033 -1.099 11.005) 11.772 19.175 ( 7.051 11.831 -3.262) 14.154 20.581 ( 12.236 12.384 0.349) 17.413 21.167 ( 1.869 -7.150 1.755) 7.596 21.482 ( -5.743 -0.265 -2.061) 6.108 22.860 ( 9.075 6.235 4.238) 11.798 23.787 ( 21.657 24.746 -4.380) 33.175 24.814 ( 7.562 8.606 0.248) 11.459 25.947 ( -2.709 -6.146 -0.420) 6.729 28.523 ( -4.610 10.280 -0.295) 11.270 28.756 ( 15.173 3.826 4.403) 16.255 31.374 ( -4.687 -15.534 2.894) 16.482 32.091 ( -1.338 10.400 0.594) 10.502 33.687 ( 0.065 -2.855 -5.017) 5.772 35.707 ( 0.034 0.146 -0.240) 0.283======================= Grid point 14 (9/124) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( 17.412 4.875 5.108) 18.789 2.002 ( 9.110 14.772 3.350) 17.676 2.492 ( -6.178 1.352 0.206) 6.328 2.700 ( -4.397 -4.999 -1.028) 6.736 2.808 ( 4.104 -4.570 -1.886) 6.426 3.154 ( 6.061 12.491 -3.592) 14.341 5.178 ( 1.783 1.403 0.282) 2.286 7.333 ( -0.121 1.255 -0.088) 1.264 7.589 ( -2.739 -2.958 0.497) 4.062 15.684 ( 19.562 31.427 -3.098) 37.147 17.634 ( 5.433 6.454 -5.946) 10.321 17.813 ( 0.250 13.191 -10.691) 16.981 18.053 ( 4.366 10.632 21.209) 24.123 19.329 ( -0.430 7.049 -3.201) 7.754 20.792 ( 3.549 0.662 -0.778) 3.693 21.163 ( 5.432 -5.660 -0.580) 7.866 21.381 ( -5.374 0.224 0.730) 5.428 23.135 ( 12.494 7.603 3.442) 15.025 24.412 ( 23.582 17.062 -5.809) 29.681 25.038 ( 7.653 7.085 2.294) 10.678 25.783 ( -5.532 -12.282 -0.703) 13.488 28.545 ( -5.549 11.530 0.238) 12.799 29.106 ( 17.536 5.827 4.250) 18.962 31.104 ( -3.566 -21.906 2.972) 22.392 32.162 ( -5.733 15.587 0.929) 16.634 33.655 ( 1.296 -5.462 -5.367) 7.766 35.713 ( 0.189 0.549 -0.413) 0.713======================= Grid point 15 (10/124) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.991 ( 12.030 -3.505 4.255) 13.233 2.201 ( 2.707 2.754 -1.313) 4.078 2.432 ( -3.467 5.245 2.926) 6.935 2.581 ( -3.062 -1.249 -2.563) 4.184 2.754 ( -2.850 -2.826 -0.875) 4.107 3.380 ( 3.288 7.854 -1.621) 8.667 5.210 ( 0.734 0.343 0.166) 0.827 7.342 ( -0.597 1.628 -0.018) 1.734 7.529 ( -0.862 -1.836 0.242) 2.043 16.126 ( 0.311 20.391 -1.823) 20.474 17.766 ( 3.769 1.947 -1.469) 4.489 17.891 ( 0.239 1.626 -4.299) 4.602 18.266 ( -6.636 27.759 8.646) 29.822 19.338 ( -3.693 4.592 -1.295) 6.033 20.786 ( 1.464 -5.811 -1.486) 6.174 21.223 ( 4.778 -1.515 -1.733) 5.304 21.297 ( -2.980 -2.251 2.582) 4.541 23.377 ( 5.092 5.366 1.103) 7.479 24.928 ( 17.601 7.365 -6.887) 20.284 25.206 ( 6.145 2.751 8.032) 10.480 25.504 ( -7.778 -17.016 -2.725) 18.907 28.560 ( -6.384 11.845 0.156) 13.456 29.423 ( 9.440 3.933 1.726) 10.371 30.852 ( 4.034 -23.634 1.206) 24.007 32.202 ( -9.349 18.239 0.439) 20.501 33.629 ( 3.122 -6.861 -2.219) 7.858 35.721 ( -0.057 0.608 -0.213) 0.647======================= Grid point 23 (11/124) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.566 ( 7.486 12.965 0.000) 14.971 1.997 ( 8.324 14.417 0.000) 16.648 2.628 ( -3.589 -6.217 0.000) 7.178 2.649 ( 1.878 3.252 0.000) 3.756 2.725 ( -0.101 -0.175 0.000) 0.202 3.178 ( 5.435 9.414 0.000) 10.870 5.168 ( 1.166 2.020 0.000) 2.333 7.342 ( 0.657 1.137 0.000) 1.313 7.599 ( -2.211 -3.829 0.000) 4.421 15.683 ( 22.390 38.781 0.000) 44.781 17.621 ( 3.191 5.526 0.000) 6.381 17.912 ( 0.116 0.201 0.000) 0.233 18.066 ( 14.895 25.798 0.000) 29.789 19.387 ( 4.648 8.050 0.000) 9.295 20.758 ( 1.501 2.599 0.000) 3.001 21.062 ( -0.893 -1.547 0.000) 1.787 21.439 ( -2.189 -3.791 0.000) 4.378 23.045 ( 7.138 12.363 0.000) 14.275 24.282 ( 12.852 22.260 0.000) 25.703 25.006 ( 5.474 9.481 0.000) 10.948 25.758 ( -7.184 -12.443 0.000) 14.368 28.812 ( 6.921 11.988 0.000) 13.843 28.826 ( 4.916 8.514 0.000) 9.832 31.011 ( -11.254 -19.492 0.000) 22.508 32.316 ( 6.306 10.922 0.000) 12.612 33.602 ( -3.036 -5.258 0.000) 6.072 35.715 ( 0.339 0.588 0.000) 0.679======================= Grid point 24 (12/124) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.796 ( 8.014 2.778 1.996) 8.713 2.184 ( 2.898 4.022 -0.791) 5.020 2.524 ( -4.999 -2.366 6.269) 8.360 2.600 ( 0.801 0.969 -6.212) 6.338 2.763 ( -0.552 -1.104 0.327) 1.277 3.405 ( 5.195 10.980 -1.046) 12.192 5.201 ( 0.803 0.815 0.106) 1.149 7.367 ( 0.231 1.981 -0.025) 1.995 7.526 ( -1.661 -3.069 0.161) 3.493 16.317 ( 8.762 27.617 -1.132) 28.996 17.733 ( 3.542 4.476 -0.798) 5.764 17.906 ( -0.687 -0.159 -1.230) 1.418 18.639 ( 8.767 39.109 4.240) 40.303 19.479 ( -3.339 7.001 -0.941) 7.814 20.679 ( -1.566 -12.266 -1.569) 12.464 21.108 ( 4.883 0.132 -0.242) 4.891 21.340 ( -4.100 -3.866 1.276) 5.778 23.336 ( 9.009 12.298 0.303) 15.247 24.681 ( 14.678 8.894 -1.450) 17.223 25.173 ( 3.803 5.762 1.436) 7.052 25.447 ( -8.602 -19.588 -0.690) 21.404 28.863 ( -8.739 18.061 -0.978) 20.088 29.216 ( 19.091 5.833 2.263) 20.090 30.601 ( -7.088 -26.390 0.386) 27.328 32.514 ( -1.374 17.792 0.897) 17.868 33.490 ( 0.290 -10.423 -1.797) 10.580 35.728 ( 0.217 0.811 -0.133) 0.850======================= Grid point 25 (13/124) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( 3.387 -5.867 -0.000) 6.775 2.240 ( -1.092 1.891 0.000) 2.184 2.435 ( 1.345 -2.330 -0.000) 2.691 2.666 ( -2.786 4.826 -0.000) 5.572 2.717 ( 0.250 -0.433 0.000) 0.500 3.515 ( -2.864 4.960 -0.000) 5.727 5.212 ( 0.017 -0.030 -0.000) 0.034 7.382 ( -1.177 2.039 0.000) 2.354 7.492 ( 1.007 -1.743 -0.000) 2.013 16.535 ( -9.722 16.840 0.000) 19.445 17.804 ( -0.843 1.460 0.000) 1.686 17.889 ( 0.301 -0.522 0.000) 0.602 18.987 ( -21.546 37.319 0.000) 43.092 19.450 ( -3.411 5.908 -0.000) 6.823 20.576 ( 8.620 -14.931 -0.000) 17.241 21.186 ( 1.674 -2.899 0.000) 3.348 21.248 ( 0.586 -1.014 -0.000) 1.171 23.502 ( -3.742 6.481 0.000) 7.484 24.960 ( 3.679 -6.372 -0.000) 7.357 25.144 ( 7.102 -12.301 -0.000) 14.204 25.245 ( -0.628 1.087 0.000) 1.255 28.878 ( -10.215 17.692 0.000) 20.430 29.472 ( -0.449 0.777 -0.000) 0.897 30.348 ( 13.390 -23.192 -0.000) 26.779 32.600 ( -10.901 18.882 -0.000) 21.803 33.432 ( 6.776 -11.737 0.000) 13.552 35.735 ( -0.346 0.599 0.000) 0.692======================= Grid point 35 (14/124) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( -0.284 -0.492 0.000) 0.569 2.265 ( 2.714 4.701 0.000) 5.428 2.406 ( -3.497 -6.057 0.000) 6.994 2.690 ( 2.267 3.927 0.000) 4.535 2.741 ( -0.799 -1.383 0.000) 1.597 3.568 ( 2.477 4.291 0.000) 4.955 5.212 ( 0.140 0.243 0.000) 0.280 7.409 ( 1.168 2.024 0.000) 2.337 7.468 ( -1.396 -2.418 0.000) 2.792 16.721 ( 6.035 10.453 0.000) 12.070 17.819 ( 2.036 3.526 0.000) 4.071 17.884 ( -1.009 -1.748 0.000) 2.018 19.419 ( 16.308 28.246 0.000) 32.616 19.612 ( 5.430 9.405 0.000) 10.860 20.305 ( -12.916 -22.371 0.000) 25.832 21.146 ( 1.818 3.149 0.000) 3.636 21.244 ( -2.775 -4.807 0.000) 5.550 23.587 ( 5.309 9.195 0.000) 10.617 24.812 ( 3.382 5.857 0.000) 6.763 25.050 ( -9.450 -16.368 0.000) 18.900 25.262 ( 1.333 2.309 0.000) 2.667 29.132 ( 2.887 5.000 0.000) 5.774 29.460 ( 11.135 19.286 0.000) 22.269 30.058 ( -14.390 -24.925 0.000) 28.781 32.860 ( 8.538 14.789 0.000) 17.077 33.246 ( -7.075 -12.255 0.000) 14.151 35.742 ( 0.229 0.397 0.000) 0.459======================= Grid point 109 (15/124) =======================q-point: ( 0.00 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.588 ( 0.000 0.000 28.405) 28.405 0.588 ( 0.000 -0.000 28.405) 28.405 0.898 ( 0.000 0.000 43.163) 43.163 3.030 ( 0.000 -0.000 3.660) 3.660 3.134 ( -0.000 -0.000 -1.921) 1.921 3.134 ( 0.000 0.000 -1.921) 1.921 5.319 ( 0.000 0.000 1.691) 1.691 7.324 ( 0.000 0.000 -0.340) 0.340 7.324 ( 0.000 -0.000 -0.340) 0.340 12.996 ( 0.000 -0.000 0.252) 0.252 16.799 ( 0.000 0.000 -16.793) 16.793 16.799 ( 0.000 0.000 -16.793) 16.793 18.092 ( 0.000 -0.000 8.743) 8.743 18.092 ( 0.000 -0.000 8.743) 8.743 19.621 ( 0.000 0.000 -4.633) 4.633 21.512 ( 0.000 0.000 -15.296) 15.296 21.512 ( 0.000 -0.000 -15.296) 15.296 22.695 ( 0.000 0.000 10.352) 10.352 22.695 ( 0.000 -0.000 10.352) 10.352 24.411 ( 0.000 -0.000 -6.327) 6.327 25.948 ( 0.000 0.000 10.338) 10.338 28.464 ( 0.000 0.000 4.707) 4.707 28.464 ( 0.000 -0.000 4.707) 4.707 31.975 ( 0.000 0.000 2.666) 2.666 31.975 ( 0.000 -0.000 2.666) 2.666 33.678 ( 0.000 -0.000 -12.544) 12.544 35.780 ( 0.000 0.000 5.728) 5.728======================= Grid point 110 (16/124) =======================q-point: ( 0.10 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.778 ( 20.510 11.841 12.447) 26.754 0.933 ( 19.269 11.125 21.657) 31.050 1.273 ( 25.060 14.468 30.505) 42.046 2.996 ( -2.672 -1.543 1.758) 3.551 3.097 ( -2.425 -1.400 -2.690) 3.883 3.103 ( -3.591 -2.073 1.030) 4.272 5.174 ( -4.316 -2.492 9.162) 10.429 7.313 ( -0.451 -0.260 -0.651) 0.834 7.581 ( 8.867 5.119 -10.944) 14.986 13.338 ( 27.401 15.820 0.668) 31.647 16.798 ( 2.266 1.309 -18.307) 18.493 17.340 ( 17.841 10.300 -30.148) 36.514 18.144 ( 2.414 1.394 10.932) 11.282 18.405 ( 25.354 14.638 1.242) 29.302 19.828 ( 16.248 9.381 -4.125) 19.210 21.367 ( -6.735 -3.888 -17.320) 18.986 21.428 ( -6.147 -3.549 -2.924) 7.676 22.785 ( 12.454 7.190 5.540) 15.411 22.818 ( 5.318 3.070 11.438) 12.983 24.473 ( 4.629 2.673 -6.780) 8.634 25.903 ( -1.712 -0.989 0.671) 2.088 28.485 ( 0.845 0.488 5.721) 5.803 28.566 ( 8.353 4.822 4.691) 10.725 31.961 ( -0.518 -0.299 1.806) 1.902 31.970 ( -0.421 -0.243 12.288) 12.298 33.526 ( -8.490 -4.902 -12.078) 15.556 35.758 ( -1.289 -0.744 4.636) 4.869======================= Grid point 111 (17/124) =======================q-point: ( 0.20 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.297 ( 21.537 12.435 7.113) 25.866 1.404 ( 19.656 11.348 15.556) 27.516 1.929 ( 28.030 16.183 14.971) 35.661 2.895 ( -5.935 -3.427 -2.653) 7.349 2.991 ( -5.022 -2.899 5.782) 8.189 3.020 ( -4.126 -2.382 -3.242) 5.763 5.152 ( 1.225 0.707 6.141) 6.302 7.307 ( 0.020 0.011 -0.643) 0.643 7.668 ( 0.130 0.075 -4.990) 4.992 14.175 ( 40.434 23.345 1.086) 46.702 16.897 ( 6.121 3.534 -19.284) 20.539 17.564 ( 5.577 3.220 -9.520) 11.494 18.227 ( 4.599 2.655 13.648) 14.645 18.958 ( 18.791 10.849 5.633) 22.417 20.289 ( 20.069 11.587 -3.273) 23.404 21.218 ( -5.159 -2.979 -16.577) 17.615 21.333 ( -2.405 -1.389 -4.313) 5.130 22.950 ( 6.058 3.498 9.557) 11.843 23.246 ( 25.126 14.507 -0.385) 29.016 24.629 ( 8.666 5.003 -6.410) 11.884 25.886 ( -0.292 -0.168 -5.380) 5.391 28.503 ( 0.678 0.391 6.697) 6.743 28.808 ( 11.774 6.798 7.383) 15.471 31.908 ( -5.670 -3.274 19.831) 20.884 31.951 ( -0.264 -0.153 0.683) 0.748 33.396 ( -2.088 -1.205 -20.137) 20.281 35.729 ( -1.154 -0.666 2.398) 2.743======================= Grid point 112 (18/124) =======================q-point: ( 0.30 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 17.824 10.291 6.484) 21.579 1.834 ( 16.259 9.387 11.417) 21.974 2.437 ( 8.429 4.866 6.034) 11.451 2.796 ( 0.062 0.036 -3.677) 3.678 2.899 ( 0.834 0.481 6.814) 6.882 2.905 ( -5.494 -3.172 -3.404) 7.199 5.197 ( 2.126 1.228 4.335) 4.982 7.312 ( 0.380 0.219 -0.383) 0.582 7.635 ( -2.350 -1.357 -1.085) 2.923 15.106 ( 35.591 20.548 0.929) 41.107 17.092 ( 10.381 5.993 -18.896) 22.377 17.687 ( 5.153 2.975 0.647) 5.985 18.341 ( 4.321 2.495 15.535) 16.317 19.284 ( 9.098 5.253 11.210) 15.363 20.637 ( 7.145 4.125 -6.888) 10.748 21.179 ( 2.905 1.677 -8.027) 8.700 21.284 ( -1.991 -1.149 -7.033) 7.399 23.116 ( 7.951 4.590 4.847) 10.382 23.895 ( 28.142 16.248 -4.647) 32.826 24.877 ( 11.883 6.860 -5.597) 14.819 25.862 ( -2.315 -1.336 -3.110) 4.101 28.516 ( 0.373 0.216 7.256) 7.268 29.109 ( 13.214 7.629 7.450) 16.980 31.694 ( -12.063 -6.965 18.059) 22.807 31.949 ( 0.092 0.053 -0.285) 0.304 33.413 ( 2.938 1.696 -19.105) 19.404 35.707 ( -0.645 -0.372 0.443) 0.867======================= Grid point 113 (19/124) =======================q-point: ( 0.40 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.102 ( 8.270 4.775 1.618) 9.686 2.147 ( 9.293 5.365 7.284) 12.969 2.409 ( -1.527 -0.882 4.587) 4.914 2.691 ( -6.747 -3.895 3.680) 8.616 2.777 ( -4.523 -2.611 -2.328) 5.718 3.179 ( 13.586 7.844 0.735) 15.706 5.238 ( 1.206 0.696 3.569) 3.831 7.321 ( 0.305 0.176 -0.151) 0.383 7.576 ( -2.284 -1.319 0.767) 2.747 15.775 ( 20.429 11.794 1.823) 23.659 17.360 ( 11.075 6.394 -18.508) 22.497 17.800 ( 3.956 2.284 4.005) 6.075 18.392 ( -0.980 -0.566 14.426) 14.470 19.416 ( 3.028 1.748 14.934) 15.338 20.685 ( -0.015 -0.009 -10.934) 10.934 21.235 ( -2.237 -1.292 -9.417) 9.765 21.290 ( 4.400 2.540 3.837) 6.366 23.294 ( 5.921 3.418 -1.020) 6.912 24.505 ( 22.103 12.761 -9.616) 27.274 25.150 ( 9.958 5.749 -3.786) 12.106 25.760 ( -6.178 -3.567 3.163) 7.804 28.519 ( -0.183 -0.106 7.187) 7.190 29.396 ( 9.849 5.686 4.678) 12.297 31.380 ( -13.106 -7.567 12.810) 19.827 31.956 ( 0.453 0.262 -0.704) 0.877 33.508 ( 4.551 2.627 -12.813) 13.848 35.700 ( 0.083 0.048 -0.851) 0.856======================= Grid point 114 (20/124) =======================q-point: (-0.50 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.086 ( -6.083 -3.512 -6.341) 9.463 2.206 ( -4.941 -2.853 1.289) 5.849 2.513 ( 0.101 0.058 12.334) 12.335 2.556 ( 2.779 1.605 1.044) 3.375 2.755 ( 3.340 1.928 1.585) 4.169 3.386 ( 3.215 1.856 1.913) 4.176 5.248 ( -0.350 -0.202 3.143) 3.169 7.325 ( 0.017 0.010 -0.072) 0.074 7.541 ( -0.522 -0.301 0.962) 1.135 16.068 ( 4.106 2.370 5.685) 7.403 17.559 ( 4.887 2.821 -20.081) 20.859 17.847 ( -0.423 -0.244 4.338) 4.365 18.257 ( -10.332 -5.965 10.152) 15.665 19.473 ( 2.462 1.421 18.145) 18.367 20.710 ( 2.150 1.242 -9.077) 9.411 21.172 ( -3.248 -1.875 -12.274) 12.834 21.370 ( 2.909 1.680 9.802) 10.362 23.337 ( -3.129 -1.806 -5.657) 6.713 24.883 ( 8.514 4.916 -15.653) 18.485 25.233 ( -5.850 -3.377 1.493) 6.918 25.655 ( 0.566 0.327 6.963) 6.993 28.506 ( -0.862 -0.498 6.521) 6.596 29.499 ( -2.526 -1.458 1.799) 3.427 31.160 ( -3.821 -2.206 8.629) 9.692 31.969 ( 0.653 0.377 -0.382) 0.845 33.612 ( 4.005 2.312 -7.747) 9.022 35.708 ( 0.483 0.279 -0.944) 1.096======================= Grid point 116 (21/124) =======================q-point: (-0.40 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( -11.839 -6.835 -4.569) 14.414 1.971 ( -13.587 -7.844 -0.586) 15.700 2.471 ( 1.535 0.886 2.304) 2.907 2.711 ( 4.931 2.847 6.842) 8.902 2.878 ( 5.800 3.348 2.482) 7.142 3.323 ( -8.107 -4.680 6.323) 11.296 5.225 ( -1.505 -0.869 2.966) 3.438 7.323 ( -0.128 -0.074 -0.053) 0.157 7.555 ( 1.628 0.940 -0.262) 1.898 15.926 ( -17.361 -10.024 9.167) 22.044 17.558 ( -5.412 -3.125 -23.496) 24.313 17.781 ( -4.790 -2.766 3.401) 6.493 17.998 ( -8.336 -4.813 8.922) 13.125 19.533 ( 1.866 1.077 20.774) 20.886 20.744 ( -0.540 -0.312 -8.001) 8.025 21.076 ( -4.796 -2.769 -16.599) 17.499 21.451 ( 4.044 2.335 12.683) 13.516 23.144 ( -12.396 -7.157 -8.698) 16.749 24.748 ( -20.036 -11.568 -8.995) 24.822 25.070 ( -4.591 -2.651 6.049) 8.043 25.744 ( 4.534 2.618 -3.057) 6.063 28.481 ( -1.223 -0.706 5.511) 5.689 29.285 ( -13.791 -7.962 1.857) 16.032 31.212 ( 6.934 4.003 5.963) 9.984 31.985 ( 0.577 0.333 0.545) 0.861 33.689 ( 2.381 1.374 -6.013) 6.611 35.720 ( 0.457 0.264 0.119) 0.540======================= Grid point 117 (22/124) =======================q-point: (-0.30 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.537 ( -16.436 -9.490 0.199) 18.980 1.597 ( -17.662 -10.197 1.058) 20.421 2.568 ( 2.787 1.609 4.175) 5.272 2.701 ( -6.726 -3.883 2.861) 8.277 3.002 ( 4.480 2.587 1.430) 5.368 3.102 ( -6.176 -3.566 9.629) 11.983 5.184 ( -1.827 -1.055 3.679) 4.241 7.321 ( -0.017 -0.010 0.011) 0.022 7.606 ( 2.368 1.367 -2.515) 3.715 15.240 ( -38.924 -22.473 7.163) 45.512 17.358 ( -9.654 -5.574 -19.294) 22.282 17.646 ( -6.152 -3.552 -0.832) 7.152 17.907 ( -0.675 -0.389 6.353) 6.400 19.497 ( -6.509 -3.758 21.778) 23.038 20.631 ( -9.908 -5.720 -6.358) 13.088 20.971 ( -3.147 -1.817 -20.966) 21.279 21.545 ( 3.493 2.017 9.870) 10.662 22.825 ( -12.596 -7.272 -8.897) 17.050 24.167 ( -26.951 -15.560 2.669) 31.234 24.902 ( -9.609 -5.548 1.376) 11.181 25.827 ( 2.416 1.395 -9.933) 10.317 28.454 ( -0.927 -0.535 4.545) 4.670 28.942 ( -13.705 -7.912 4.292) 16.396 31.420 ( 9.710 5.606 6.221) 12.823 31.995 ( 0.260 0.150 1.682) 1.709 33.718 ( -0.004 -0.003 -7.454) 7.454 35.730 ( 0.443 0.256 1.697) 1.772======================= Grid point 118 (23/124) =======================q-point: (-0.20 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.128 ( -17.465 -10.083 7.817) 21.628 1.153 ( -19.413 -11.208 5.717) 23.134 2.144 ( -28.739 -16.593 18.527) 38.007 2.806 ( 8.311 4.798 -3.786) 10.316 3.071 ( 1.065 0.615 6.169) 6.291 3.087 ( 2.720 1.570 0.173) 3.145 5.148 ( -0.854 -0.493 5.832) 5.915 7.323 ( 0.164 0.095 0.073) 0.204 7.645 ( 0.243 0.140 -6.225) 6.231 14.227 ( -43.360 -25.034 3.411) 50.184 17.131 ( -9.494 -5.481 -16.416) 19.739 17.497 ( -6.763 -3.904 -12.090) 14.393 17.930 ( 2.382 1.375 6.298) 6.873 19.173 ( -21.182 -12.230 13.715) 28.042 20.273 ( -19.213 -11.092 -4.382) 22.613 20.976 ( 4.364 2.520 -17.183) 17.907 21.604 ( 1.292 0.746 0.297) 1.522 22.619 ( -4.319 -2.494 -3.030) 5.836 23.531 ( -25.914 -14.961 8.375) 31.073 24.663 ( -9.521 -5.497 -2.802) 11.346 25.866 ( 1.185 0.684 -9.464) 9.562 28.441 ( -0.150 -0.086 3.990) 3.993 28.677 ( -8.422 -4.863 7.062) 12.019 31.648 ( 9.421 5.439 9.466) 14.420 31.996 ( -0.155 -0.089 2.593) 2.599 33.688 ( -2.339 -1.350 -10.825) 11.157 35.743 ( 0.664 0.383 3.261) 3.350======================= Grid point 119 (24/124) =======================q-point: (-0.10 0.00 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( -15.176 -8.762 16.507) 24.074 0.763 ( -11.686 -6.747 21.754) 25.599 1.403 ( -31.740 -18.325 28.210) 46.250 2.973 ( 5.082 2.934 -0.075) 5.869 3.103 ( 1.489 0.860 1.439) 2.242 3.131 ( 0.990 0.572 -0.965) 1.496 5.175 ( 4.306 2.486 9.068) 10.342 7.327 ( 0.074 0.043 -0.019) 0.088 7.568 ( -8.425 -4.864 -11.715) 15.227 13.345 ( -28.311 -16.346 0.994) 32.706 16.923 ( -7.543 -4.355 -16.011) 18.227 17.256 ( -17.257 -9.963 -32.487) 38.112 18.009 ( 3.954 2.283 7.289) 8.601 18.532 ( -29.995 -17.318 3.934) 34.858 19.826 ( -15.993 -9.234 -4.276) 18.956 21.200 ( 14.461 8.349 -9.196) 19.063 21.598 ( -1.934 -1.117 -9.678) 9.932 22.604 ( 2.290 1.322 5.398) 6.011 22.989 ( -18.845 -10.880 10.976) 24.372 24.482 ( -5.533 -3.195 -6.233) 8.926 25.901 ( 2.110 1.218 -0.103) 2.438 28.446 ( 0.570 0.329 4.050) 4.103 28.537 ( -4.039 -2.332 7.137) 8.526 31.861 ( 8.208 4.739 10.730) 14.317 31.988 ( -0.487 -0.281 2.961) 3.014 33.637 ( -0.689 -0.398 -12.257) 12.283 35.762 ( 0.969 0.560 4.867) 4.994======================= Grid point 121 (25/124) =======================q-point: ( 0.10 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.068 ( 15.435 12.123 15.643) 25.098 1.156 ( 20.692 18.637 5.678) 28.421 1.872 ( 10.249 34.074 20.206) 40.919 2.883 ( -1.900 -8.741 -2.765) 9.363 3.043 ( -4.173 -3.108 4.823) 7.095 3.093 ( -2.780 -0.033 -1.141) 3.005 5.146 ( 0.180 0.202 6.813) 6.819 7.317 ( -0.616 0.372 -0.313) 0.785 7.653 ( 1.537 0.892 -7.094) 7.313 13.948 ( 22.231 41.484 1.830) 47.101 16.981 ( -2.650 13.527 -18.466) 23.044 17.496 ( 6.897 5.666 -15.698) 18.058 18.064 ( 9.955 -4.363 9.999) 14.769 18.938 ( 6.446 27.678 6.760) 29.212 20.147 ( 11.745 19.368 -3.556) 22.928 21.073 ( 1.687 -12.286 -13.114) 18.049 21.538 ( -7.403 3.982 -5.707) 10.161 22.702 ( 11.691 -2.086 2.686) 12.175 23.278 ( 5.112 27.922 7.570) 29.378 24.592 ( 3.636 8.694 -5.251) 10.788 25.875 ( -0.257 -1.673 -6.145) 6.374 28.518 ( 3.388 2.899 3.982) 5.978 28.637 ( 8.298 3.316 8.297) 12.195 31.738 ( -0.831 -14.241 10.783) 17.882 32.054 ( 4.033 3.654 5.036) 7.415 33.546 ( -9.986 4.522 -14.445) 18.134 35.742 ( -0.956 -0.767 3.305) 3.525======================= Grid point 122 (26/124) =======================q-point: ( 0.20 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( 19.024 7.315 12.100) 23.703 1.685 ( 17.409 15.903 3.356) 23.817 2.393 ( 11.734 23.871 11.227) 28.872 2.732 ( -2.815 -10.361 -4.562) 11.666 2.922 ( -4.173 -3.814 6.667) 8.741 3.038 ( -4.872 3.284 -1.558) 6.079 5.176 ( 1.692 1.511 4.718) 5.235 7.318 ( -0.090 0.982 -0.316) 1.035 7.646 ( -0.943 -2.177 -2.554) 3.486 14.855 ( 28.610 41.017 2.145) 50.055 17.120 ( 1.000 16.261 -19.497) 25.408 17.638 ( 4.575 4.234 -3.492) 7.145 18.240 ( 11.015 0.967 14.466) 18.208 19.268 ( 4.719 16.548 11.116) 20.486 20.535 ( 11.084 10.606 -4.532) 15.996 20.997 ( 3.878 -10.121 -14.418) 18.037 21.462 ( -6.796 6.093 -3.016) 9.613 22.913 ( 13.558 -1.417 1.857) 13.758 23.750 ( 14.593 28.163 1.023) 31.735 24.789 ( 7.414 10.044 -4.904) 13.412 25.845 ( -0.350 -4.258 -5.426) 6.907 28.581 ( -1.921 7.651 5.668) 9.714 28.895 ( 16.105 2.358 7.966) 18.122 31.532 ( -1.781 -21.679 10.142) 24.000 32.159 ( -1.153 10.399 6.369) 12.249 33.446 ( -5.177 3.626 -17.227) 18.350 35.718 ( -0.939 -0.364 1.275) 1.625======================= Grid point 123 (27/124) =======================q-point: ( 0.30 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 17.618 2.326 9.558) 20.178 2.058 ( 8.700 8.724 2.155) 12.507 2.514 ( -5.151 0.928 -0.008) 5.234 2.678 ( -1.889 -4.629 1.794) 5.312 2.868 ( -2.032 -1.179 6.242) 6.669 3.097 ( 6.192 13.802 -1.687) 15.221 5.221 ( 1.628 1.105 3.795) 4.275 7.331 ( -0.088 1.507 -0.102) 1.513 7.593 ( -1.813 -2.645 0.023) 3.207 15.676 ( 18.377 33.470 2.215) 38.247 17.341 ( 4.617 16.013 -18.327) 24.771 17.758 ( 4.079 3.764 1.490) 5.747 18.442 ( 4.307 9.785 16.064) 19.296 19.440 ( 0.131 9.141 13.243) 16.092 20.659 ( 0.575 -2.726 -11.056) 11.401 21.053 ( 9.506 -5.680 -8.367) 13.879 21.415 ( -5.363 5.221 0.884) 7.536 23.151 ( 12.442 1.768 -1.405) 12.645 24.310 ( 18.446 20.915 -3.665) 28.127 25.033 ( 8.952 7.233 -4.683) 12.425 25.756 ( -2.159 -9.471 -0.031) 9.714 28.615 ( -4.239 9.692 6.337) 12.331 29.220 ( 15.911 3.768 6.204) 17.489 31.238 ( -2.268 -27.583 8.779) 29.035 32.216 ( -7.987 16.661 4.381) 18.989 33.442 ( 2.348 -0.179 -14.376) 14.568 35.704 ( -0.400 0.136 -0.494) 0.650======================= Grid point 124 (28/124) =======================q-point: ( 0.40 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.066 ( 2.648 -8.922 1.620) 9.447 2.173 ( 4.944 3.177 0.807) 5.932 2.533 ( 0.584 -5.711 -2.235) 6.161 2.567 ( -3.071 8.351 8.970) 12.635 2.792 ( -4.093 1.415 4.292) 6.097 3.352 ( 5.747 8.092 -0.679) 9.949 5.248 ( 0.446 0.247 3.418) 3.456 7.342 ( -0.620 1.780 0.034) 1.885 7.542 ( -0.881 -1.938 1.046) 2.371 16.151 ( 2.460 23.171 4.221) 23.680 17.565 ( 3.462 11.285 -17.018) 20.711 17.838 ( 1.409 0.953 2.746) 3.230 18.527 ( -11.764 15.899 11.675) 22.967 19.493 ( -1.041 5.351 15.793) 16.708 20.640 ( 3.593 -4.766 -10.529) 12.103 21.130 ( 4.331 -4.498 -9.295) 11.198 21.373 ( -2.307 0.755 6.306) 6.757 23.334 ( 3.953 2.236 -5.142) 6.861 24.780 ( 13.428 12.921 -8.993) 20.691 25.193 ( 4.118 -3.135 -4.013) 6.549 25.597 ( -1.012 -11.434 7.546) 13.736 28.628 ( -6.093 10.785 6.303) 13.899 29.472 ( 6.508 2.150 3.062) 7.507 30.946 ( 3.802 -27.388 7.179) 28.568 32.224 ( -11.257 18.748 1.669) 21.932 33.508 ( 6.403 -3.108 -8.959) 11.442 35.706 ( 0.148 0.420 -1.342) 1.414======================= Grid point 125 (29/124) =======================q-point: (-0.50 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.922 ( -5.955 -9.343 -2.287) 11.313 2.188 ( -8.049 0.864 -1.595) 8.251 2.441 ( -0.001 -3.899 1.939) 4.355 2.672 ( 2.954 6.030 6.998) 9.699 2.815 ( 3.425 2.282 4.538) 6.126 3.414 ( -4.126 0.717 2.022) 4.651 5.241 ( -0.985 -0.397 3.143) 3.317 7.343 ( -1.163 1.500 0.091) 1.900 7.532 ( 1.255 -0.449 0.569) 1.449 16.226 ( -14.947 10.986 7.893) 20.160 17.663 ( -2.743 5.454 -18.580) 19.557 17.817 ( -2.648 -2.241 2.675) 4.381 18.329 ( -24.701 12.905 7.142) 28.769 19.547 ( 0.479 5.608 18.596) 19.429 20.689 ( 5.285 -3.401 -8.939) 10.927 21.093 ( -2.566 -5.506 -13.151) 14.486 21.394 ( 4.349 0.597 10.766) 11.626 23.289 ( -9.251 -2.224 -7.493) 12.111 24.906 ( -9.745 -7.317 -14.605) 19.022 25.121 ( -1.312 -1.292 7.661) 7.879 25.593 ( 9.594 -6.261 2.738) 11.779 28.620 ( -7.510 11.371 5.802) 14.811 29.417 ( -9.718 -6.837 1.524) 11.979 30.903 ( 16.893 -16.435 5.703) 24.249 32.206 ( -11.296 16.860 0.735) 20.308 33.588 ( 6.706 -4.603 -5.935) 10.069 35.714 ( 0.344 0.257 -0.920) 1.015======================= Grid point 126 (30/124) =======================q-point: (-0.40 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.671 ( -12.300 -7.646 1.402) 14.550 1.944 ( -19.271 1.476 -1.779) 19.409 2.488 ( 6.495 1.095 -0.971) 6.658 2.765 ( -0.431 2.326 6.631) 7.040 2.891 ( 5.063 -2.877 4.464) 7.337 3.244 ( -11.372 -2.845 5.568) 12.978 5.210 ( -1.882 -0.493 3.264) 3.800 7.334 ( -1.044 0.818 0.093) 1.330 7.572 ( 2.743 0.810 -0.986) 3.025 15.800 ( -37.446 -3.485 8.177) 38.487 17.550 ( -12.256 -0.586 -19.960) 23.430 17.728 ( -5.293 -1.126 -1.439) 5.599 18.068 ( -15.080 10.565 10.272) 21.085 19.575 ( -3.696 2.101 20.494) 20.931 20.702 ( -1.446 -3.128 -8.444) 9.120 20.968 ( -2.812 -6.894 -17.136) 18.683 21.502 ( 4.553 2.476 10.722) 11.909 23.010 ( -15.173 -5.129 -8.472) 18.119 24.472 ( -22.741 -13.096 -1.449) 26.283 25.035 ( -8.977 -1.289 2.461) 9.398 25.725 ( 8.924 -2.835 -5.934) 11.086 28.598 ( -8.118 11.572 4.993) 14.992 29.089 ( -13.741 -10.983 3.241) 17.887 31.134 ( 20.003 -6.337 5.270) 21.634 32.170 ( -9.780 12.730 1.519) 16.125 33.639 ( 4.812 -6.007 -6.682) 10.193 35.722 ( 0.422 -0.120 0.390) 0.587======================= Grid point 127 (31/124) =======================q-point: (-0.30 0.10 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.355 ( -16.858 -2.003 7.999) 18.766 1.570 ( -24.969 3.173 -0.030) 25.170 2.495 ( -22.447 -6.718 13.452) 27.018 2.687 ( 8.454 1.763 -4.668) 9.817 2.967 ( 6.415 -2.747 5.708) 9.015 3.103 ( -2.001 -0.337 2.502) 3.222 5.170 ( -1.988 -0.221 4.419) 4.851 7.325 ( -0.502 0.064 -0.012) 0.506 7.631 ( 2.246 1.033 -3.334) 4.150 14.911 ( -51.183 -9.482 4.706) 52.266 17.278 ( -13.642 -5.566 -18.826) 23.906 17.610 ( -6.996 0.458 -5.372) 8.833 18.009 ( -5.119 10.256 10.191) 15.338 19.398 ( -14.718 -6.344 17.305) 23.587 20.522 ( -15.375 -3.421 -5.034) 16.536 20.921 ( 3.331 -0.967 -18.751) 19.069 21.569 ( 1.724 -1.079 3.933) 4.428 22.752 ( -9.897 1.630 -5.092) 11.248 23.886 ( -28.555 -10.882 4.449) 30.880 24.812 ( -12.047 -3.123 -1.450) 12.529 25.826 ( 4.170 -0.236 -8.845) 9.782 28.570 ( -7.602 9.784 3.673) 12.923 28.781 ( -9.655 -6.424 7.052) 13.573 31.436 ( 17.055 0.368 7.490) 18.630 32.120 ( -7.630 7.579 3.153) 11.207 33.626 ( 2.052 -8.487 -10.431) 13.603 35.729 ( 0.733 -0.352 1.907) 2.073======================= Grid point 132 (32/124) =======================q-point: ( 0.20 0.20 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 11.205 8.333 7.342) 15.776 1.994 ( 11.183 13.299 -0.040) 17.376 2.523 ( -2.637 -8.903 -5.233) 10.659 2.753 ( -1.391 8.811 7.452) 11.623 2.840 ( -0.543 -3.811 8.019) 8.895 3.180 ( 1.669 11.197 0.531) 11.334 5.208 ( 1.276 1.560 3.702) 4.215 7.343 ( 0.621 1.367 0.119) 1.506 7.588 ( -1.129 -3.198 -0.867) 3.501 15.735 ( 19.876 41.388 5.079) 46.194 17.467 ( 1.347 15.478 -16.749) 22.846 17.733 ( 3.633 4.519 -3.130) 6.589 18.337 ( 19.352 10.105 13.507) 25.672 19.560 ( 0.785 10.642 16.248) 19.439 20.647 ( -2.100 -0.869 -10.770) 11.008 20.894 ( 3.169 1.104 -13.028) 13.453 21.518 ( -3.052 -1.394 5.816) 6.715 22.985 ( 9.935 9.423 -5.234) 14.659 24.290 ( 8.979 23.293 0.501) 24.969 25.006 ( 4.806 10.342 -1.790) 11.544 25.700 ( -4.354 -10.026 -3.664) 11.528 28.819 ( 0.563 14.762 2.571) 14.995 28.932 ( 14.482 2.308 8.042) 16.725 31.080 ( -10.014 -22.121 6.025) 25.018 32.356 ( 8.233 8.868 3.752) 12.669 33.487 ( -7.729 -0.063 -10.567) 13.092 35.715 ( -0.573 0.022 -0.018) 0.574======================= Grid point 133 (33/124) =======================q-point: ( 0.30 0.20 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( 8.787 -1.143 5.644) 10.506 2.175 ( 0.692 3.974 0.049) 4.034 2.451 ( 1.719 -4.813 -5.822) 7.747 2.705 ( -3.952 4.733 8.638) 10.613 2.845 ( -0.736 -1.072 7.406) 7.519 3.365 ( 3.984 11.044 -2.637) 12.033 5.240 ( 0.860 0.755 3.598) 3.775 7.370 ( 0.176 2.225 0.328) 2.256 7.534 ( -1.124 -2.964 0.640) 3.234 16.362 ( 7.814 30.198 5.421) 31.660 17.635 ( 1.989 11.012 -11.601) 16.119 17.821 ( 2.177 1.901 -1.196) 3.128 18.821 ( 9.773 27.443 10.017) 30.806 19.627 ( -4.650 8.292 14.716) 17.520 20.519 ( -1.462 -10.790 -12.849) 16.842 20.998 ( 5.812 0.219 -8.961) 10.683 21.419 ( -4.213 -5.188 5.868) 8.894 23.271 ( 8.975 10.440 -6.491) 15.221 24.668 ( 12.764 13.155 0.007) 18.330 25.143 ( 0.357 3.342 -5.493) 6.439 25.481 ( -3.170 -16.400 4.342) 17.259 28.905 ( -7.398 17.704 4.935) 19.812 29.286 ( 18.034 3.496 4.438) 18.898 30.658 ( -6.736 -28.579 4.736) 29.742 32.553 ( -1.444 16.004 2.853) 16.320 33.380 ( -0.084 -5.961 -8.391) 10.294 35.711 ( -0.157 0.387 -1.565) 1.620======================= Grid point 134 (34/124) =======================q-point: ( 0.40 0.20 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.898 ( -0.160 -6.119 1.818) 6.385 2.236 ( 1.395 2.819 -0.203) 3.152 2.401 ( -0.368 -5.086 -2.320) 5.603 2.741 ( -1.240 6.368 6.984) 9.532 2.810 ( -1.055 0.252 7.790) 7.865 3.482 ( -0.688 4.130 -2.975) 5.136 5.250 ( -0.219 0.074 3.566) 3.574 7.386 ( -1.238 2.283 0.425) 2.631 7.502 ( 0.773 -1.879 0.998) 2.264 16.608 ( -8.439 18.215 7.059) 21.280 17.743 ( -0.116 5.558 -9.840) 11.302 17.836 ( -1.138 -0.791 0.239) 1.406 19.036 ( -24.668 30.171 2.587) 39.058 19.618 ( -1.152 6.544 15.796) 17.136 20.471 ( 10.142 -12.309 -9.450) 18.538 21.070 ( 0.719 -1.369 -9.301) 9.429 21.312 ( 1.818 -5.379 6.120) 8.348 23.425 ( -3.627 6.132 -7.488) 10.336 24.992 ( -6.198 -2.411 -9.695) 11.757 25.023 ( 10.512 -1.220 5.337) 11.852 25.360 ( 4.354 -10.484 5.489) 12.609 28.936 ( -9.509 17.824 5.459) 20.927 29.491 ( -2.594 -0.400 1.969) 3.281 30.396 ( 13.845 -24.259 4.433) 28.281 32.607 ( -11.840 17.593 0.706) 21.218 33.377 ( 8.191 -9.260 -5.041) 13.351 35.714 ( 0.044 0.313 -2.010) 2.035======================= Grid point 136 (35/124) =======================q-point: (-0.50 0.20 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( -6.448 -1.391 2.353) 7.003 2.200 ( -7.010 -0.392 0.445) 7.035 2.400 ( 3.055 0.441 -4.618) 5.554 2.765 ( 1.214 1.793 8.795) 9.058 2.826 ( 0.658 -0.131 6.033) 6.071 3.408 ( -8.997 -1.435 -0.477) 9.124 5.236 ( -1.283 -0.031 3.427) 3.660 7.371 ( -1.984 0.877 0.422) 2.210 7.527 ( 2.808 0.035 0.290) 2.824 16.408 ( -27.881 4.430 7.741) 29.273 17.702 ( -7.186 -1.967 -9.449) 12.033 17.799 ( -2.644 0.940 -3.382) 4.395 18.680 ( -34.523 16.503 4.866) 38.573 19.671 ( -2.855 4.598 17.539) 18.355 20.569 ( 10.304 -7.414 -11.695) 17.260 20.981 ( -4.781 -3.528 -10.796) 12.323 21.411 ( 8.117 1.150 7.944) 11.415 23.257 ( -15.824 -0.824 -7.334) 17.461 24.690 ( -14.411 -7.842 -1.768) 16.502 25.169 ( -5.155 1.682 1.282) 5.572 25.454 ( 16.688 -4.549 -0.317) 17.300 28.935 ( -11.120 17.867 5.598) 21.777 29.212 ( -14.781 -12.946 2.338) 19.787 30.644 ( 26.518 -6.963 4.299) 27.752 32.517 ( -14.110 11.214 1.161) 18.061 33.447 ( 8.350 -7.633 -5.690) 12.663 35.716 ( 0.042 -0.124 -1.306) 1.312======================= Grid point 144 (36/124) =======================q-point: ( 0.30 0.30 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.844 ( 0.397 -1.010 3.237) 3.414 2.258 ( 0.871 3.994 -0.436) 4.111 2.356 ( -1.020 -4.229 -3.552) 5.616 2.794 ( 0.475 3.092 8.583) 9.135 2.823 ( 0.405 -1.098 7.734) 7.822 3.517 ( 1.568 3.555 -4.774) 6.156 5.252 ( 0.242 0.332 3.749) 3.771 7.417 ( 1.194 2.179 0.741) 2.593 7.477 ( -1.246 -2.380 0.891) 2.831 16.799 ( 5.746 10.987 7.605) 14.546 17.787 ( 1.085 4.134 -4.769) 6.404 17.833 ( 0.635 -0.552 -2.538) 2.674 19.462 ( 21.060 30.529 1.096) 37.104 19.745 ( 0.090 2.164 14.190) 14.354 20.214 ( -12.487 -18.176 -9.571) 24.039 21.058 ( 2.851 5.330 -6.526) 8.896 21.247 ( -4.536 -9.219 1.730) 10.419 23.507 ( 4.890 8.853 -7.807) 12.777 24.856 ( 5.836 7.138 3.326) 9.802 25.097 ( -11.159 -12.199 3.328) 16.864 25.235 ( 1.882 -0.975 -2.140) 3.013 29.190 ( 1.806 5.064 5.434) 7.644 29.481 ( 12.780 18.623 2.209) 22.694 30.091 ( -14.931 -25.268 3.188) 29.522 32.859 ( 8.740 13.013 -0.108) 15.676 33.207 ( -7.283 -9.987 -3.599) 12.873 35.717 ( 0.024 0.150 -2.401) 2.406======================= Grid point 218 (37/124) =======================q-point: ( 0.00 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( -0.000 0.000 25.958) 25.958 1.142 ( 0.000 -0.000 25.958) 25.958 1.729 ( 0.000 -0.000 38.076) 38.076 3.077 ( 0.000 0.000 -3.741) 3.741 3.077 ( 0.000 -0.000 -3.741) 3.741 3.133 ( 0.000 -0.000 6.250) 6.250 5.367 ( 0.000 0.000 2.940) 2.940 7.315 ( 0.000 0.000 -0.519) 0.519 7.315 ( 0.000 -0.000 -0.519) 0.519 13.008 ( 0.000 -0.000 1.022) 1.022 16.441 ( 0.000 0.000 -16.276) 16.276 16.441 ( 0.000 -0.000 -16.276) 16.276 18.230 ( 0.000 0.000 3.110) 3.110 18.230 ( 0.000 -0.000 3.110) 3.110 19.487 ( 0.000 0.000 -8.248) 8.248 21.143 ( 0.000 0.000 -19.385) 19.385 21.143 ( 0.000 -0.000 -19.385) 19.385 22.939 ( 0.000 -0.000 12.770) 12.770 22.939 ( 0.000 -0.000 12.770) 12.770 24.270 ( 0.000 -0.000 -6.579) 6.579 26.214 ( 0.000 -0.000 14.937) 14.937 28.586 ( -0.000 0.000 6.711) 6.711 28.586 ( 0.000 0.000 6.711) 6.711 32.048 ( 0.000 0.000 4.270) 4.270 32.048 ( 0.000 -0.000 4.270) 4.270 33.330 ( 0.000 -0.000 -20.843) 20.843 35.926 ( 0.000 0.000 8.002) 8.002======================= Grid point 219 (38/124) =======================q-point: ( 0.10 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.124 ( 7.329 4.231 19.940) 21.661 1.395 ( 14.002 8.084 22.889) 28.023 1.943 ( 15.223 8.789 32.942) 37.338 3.002 ( -5.385 -3.109 -1.542) 6.406 3.024 ( -2.965 -1.712 -4.534) 5.681 3.166 ( 0.167 0.097 5.354) 5.358 5.319 ( -2.618 -1.511 5.609) 6.372 7.299 ( -0.558 -0.322 -0.675) 0.934 7.442 ( 7.415 4.281 -3.865) 9.394 13.362 ( 28.274 16.324 1.752) 32.694 16.433 ( 1.924 1.111 -15.801) 15.956 16.829 ( 23.525 13.582 -19.989) 33.727 18.310 ( 3.785 2.185 3.833) 5.813 18.462 ( 21.846 12.613 1.139) 25.251 19.714 ( 17.714 10.227 -6.869) 21.578 20.974 ( -7.154 -4.130 -20.056) 21.691 21.224 ( 0.139 0.080 -13.929) 13.930 22.972 ( 8.482 4.897 11.488) 15.096 23.056 ( 4.151 2.397 11.567) 12.520 24.305 ( 3.042 1.757 -8.100) 8.829 26.074 ( -9.011 -5.203 12.845) 16.531 28.624 ( 1.696 0.979 7.341) 7.598 28.680 ( 8.908 5.143 6.446) 12.139 32.018 ( -1.463 -0.845 3.594) 3.971 32.141 ( 6.513 3.760 6.056) 9.656 33.203 ( -10.276 -5.933 -19.345) 22.694 35.886 ( -3.055 -1.764 7.300) 8.108======================= Grid point 220 (39/124) =======================q-point: ( 0.20 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( 17.446 10.073 8.523) 21.874 1.753 ( 15.377 8.878 17.959) 25.255 2.358 ( 18.287 10.558 23.922) 31.909 2.841 ( -7.755 -4.477 -2.521) 9.302 2.937 ( -4.319 -2.493 -4.877) 6.975 3.130 ( -2.875 -1.660 7.674) 8.361 5.287 ( -0.025 -0.015 6.581) 6.581 7.294 ( 0.177 0.102 -0.613) 0.646 7.575 ( 3.427 1.979 -3.642) 5.378 14.220 ( 41.159 23.763 3.203) 47.634 16.528 ( 6.254 3.611 -15.598) 17.188 17.331 ( 18.001 10.393 -11.594) 23.800 18.428 ( 5.980 3.453 4.628) 8.313 19.083 ( 26.062 15.047 3.934) 30.349 20.213 ( 20.956 12.099 -3.438) 24.441 20.839 ( -2.399 -1.385 -19.830) 20.022 21.182 ( -3.002 -1.733 -8.009) 8.727 23.137 ( 2.853 1.647 8.759) 9.358 23.319 ( 19.983 11.537 6.401) 23.946 24.429 ( 7.859 4.537 -10.947) 14.219 25.908 ( -4.114 -2.375 6.081) 7.716 28.662 ( 1.496 0.864 8.310) 8.487 28.949 ( 12.760 7.367 6.796) 16.226 31.982 ( -1.453 -0.839 2.237) 2.797 32.256 ( -0.532 -0.307 13.236) 13.250 32.964 ( -5.821 -3.361 -21.698) 22.715 35.803 ( -3.663 -2.115 4.618) 6.263======================= Grid point 221 (40/124) =======================q-point: ( 0.30 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.862 ( 16.370 9.451 3.548) 19.232 2.090 ( 12.569 7.257 13.348) 19.718 2.561 ( -6.521 -3.765 0.732) 7.566 2.825 ( -4.966 -2.867 -4.485) 7.280 2.831 ( 10.227 5.905 11.150) 16.242 3.063 ( -0.556 -0.321 8.716) 8.739 5.305 ( 1.233 0.712 5.917) 6.086 7.304 ( 0.614 0.354 -0.385) 0.807 7.613 ( 0.149 0.086 -0.832) 0.850 15.163 ( 36.100 20.842 4.490) 41.926 16.732 ( 10.789 6.229 -15.591) 19.957 17.688 ( 12.346 7.128 -0.040) 14.256 18.558 ( 3.931 2.269 4.280) 6.239 19.570 ( 14.729 8.504 13.296) 21.588 20.471 ( 1.167 0.674 -7.791) 7.907 21.022 ( 16.404 9.471 -7.490) 20.369 21.101 ( -3.598 -2.078 -7.229) 8.338 23.199 ( 2.540 1.466 3.596) 4.640 23.842 ( 22.185 12.809 -1.575) 25.666 24.688 ( 13.997 8.081 -10.850) 19.466 25.859 ( -1.036 -0.598 1.773) 2.138 28.691 ( 0.844 0.487 9.259) 9.310 29.250 ( 12.187 7.036 6.635) 15.558 31.953 ( -0.889 -0.513 0.669) 1.225 32.028 ( -16.101 -9.296 11.911) 22.080 33.026 ( 8.583 4.956 -16.577) 19.314 35.724 ( -2.793 -1.613 1.240) 3.456======================= Grid point 222 (41/124) =======================q-point: ( 0.40 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.107 ( 0.749 0.433 0.011) 0.865 2.304 ( 3.943 2.277 7.694) 8.941 2.454 ( 2.301 1.329 -2.129) 3.405 2.735 ( -1.243 -0.718 -1.658) 2.193 2.849 ( -4.612 -2.663 12.017) 13.144 3.256 ( 11.393 6.578 6.571) 14.705 5.331 ( 0.759 0.438 5.291) 5.364 7.318 ( 0.437 0.252 -0.189) 0.539 7.598 ( -1.144 -0.661 1.396) 1.922 15.859 ( 22.523 13.004 6.096) 26.712 16.999 ( 10.324 5.961 -16.389) 20.266 17.914 ( 6.632 3.829 7.400) 10.649 18.562 ( -4.523 -2.612 1.014) 5.321 19.808 ( 6.533 3.772 19.836) 21.222 20.481 ( 1.579 0.912 -7.479) 7.698 21.014 ( -3.910 -2.258 -8.334) 9.479 21.380 ( 12.199 7.043 4.690) 14.847 23.244 ( 0.477 0.276 -3.507) 3.550 24.289 ( 14.749 8.516 -11.880) 20.765 25.051 ( 14.999 8.659 -4.803) 17.973 25.814 ( -3.396 -1.961 0.785) 4.000 28.699 ( -0.251 -0.145 9.809) 9.813 29.495 ( 7.645 4.414 5.157) 10.224 31.628 ( -15.778 -9.109 9.665) 20.623 31.944 ( 0.102 0.059 -0.482) 0.496 33.251 ( 9.138 5.276 -10.731) 15.049 35.678 ( -1.003 -0.579 -1.321) 1.757======================= Grid point 223 (42/124) =======================q-point: (-0.50 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.989 ( -6.943 -4.009 -3.355) 8.691 2.242 ( -7.799 -4.503 2.217) 9.274 2.538 ( -0.496 -0.287 -1.938) 2.021 2.798 ( 5.262 3.038 2.471) 6.560 2.799 ( 2.746 1.585 14.154) 14.505 3.456 ( 4.834 2.791 5.083) 7.549 5.334 ( -0.581 -0.336 4.992) 5.037 7.323 ( 0.043 0.025 -0.105) 0.116 7.571 ( -0.954 -0.551 1.983) 2.269 16.229 ( 8.216 4.743 9.813) 13.649 17.152 ( 1.684 0.972 -19.362) 19.459 17.991 ( -0.293 -0.169 10.162) 10.168 18.340 ( -13.026 -7.520 -2.651) 15.273 19.932 ( 4.869 2.811 22.943) 23.621 20.548 ( 3.131 1.808 -5.713) 6.761 20.903 ( -5.948 -3.434 -9.984) 12.118 21.605 ( 7.584 4.379 13.049) 15.716 23.178 ( -6.758 -3.902 -9.596) 12.368 24.521 ( 4.535 2.618 -18.456) 19.185 25.296 ( 3.525 2.035 2.481) 4.767 25.706 ( -4.477 -2.585 -1.811) 5.478 28.678 ( -1.449 -0.837 9.714) 9.857 29.562 ( -2.719 -1.570 4.413) 5.416 31.363 ( -5.324 -3.074 10.071) 11.800 31.958 ( 1.095 0.632 -0.697) 1.444 33.425 ( 5.291 3.055 -9.372) 11.187 35.678 ( 0.922 0.532 -2.016) 2.280======================= Grid point 225 (43/124) =======================q-point: (-0.40 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( -7.664 -4.425 -1.151) 8.924 1.998 ( -12.233 -7.063 3.047) 14.450 2.485 ( -1.132 -0.653 -0.543) 1.415 2.904 ( 3.687 2.129 11.023) 11.816 2.924 ( 4.909 2.834 1.975) 6.003 3.468 ( -3.876 -2.238 7.766) 8.963 5.308 ( -1.367 -0.789 4.975) 5.219 7.322 ( -0.128 -0.074 -0.107) 0.182 7.558 ( -0.111 -0.064 0.701) 0.713 16.155 ( -17.357 -10.021 12.806) 23.784 17.083 ( -5.979 -3.452 -22.370) 23.411 17.898 ( -7.465 -4.310 8.552) 12.143 18.062 ( -8.023 -4.632 -3.262) 9.822 20.056 ( 5.097 2.943 26.384) 27.032 20.585 ( -0.649 -0.375 -6.547) 6.590 20.707 ( -10.854 -6.267 -15.589) 20.002 21.747 ( 3.671 2.119 15.831) 16.388 22.929 ( -13.095 -7.561 -12.022) 19.318 24.479 ( -8.388 -4.843 -15.045) 17.893 25.184 ( -11.055 -6.383 0.780) 12.789 25.658 ( -0.072 -0.042 -3.225) 3.226 28.634 ( -2.089 -1.206 9.020) 9.337 29.380 ( -11.272 -6.508 6.949) 14.754 31.385 ( 6.196 3.577 9.819) 12.149 31.991 ( 1.605 0.926 0.111) 1.856 33.495 ( 0.617 0.356 -11.756) 11.777 35.715 ( 2.093 1.209 -0.591) 2.489======================= Grid point 226 (44/124) =======================q-point: (-0.30 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( -9.630 -5.560 6.655) 12.959 1.684 ( -13.929 -8.042 7.053) 17.562 2.539 ( 5.578 3.220 -3.564) 7.361 2.897 ( -6.290 -3.631 12.243) 14.235 3.021 ( 3.218 1.858 0.402) 3.737 3.314 ( -6.949 -4.012 11.004) 13.619 5.280 ( -0.847 -0.489 5.416) 5.503 7.320 ( -0.011 -0.006 -0.158) 0.158 7.558 ( -0.204 -0.118 -1.862) 1.877 15.404 ( -42.866 -24.749 8.259) 50.182 16.932 ( -6.874 -3.969 -19.582) 21.130 17.645 ( -13.844 -7.993 1.498) 16.056 17.980 ( 0.073 0.042 -1.418) 1.420 20.028 ( -14.214 -8.206 27.713) 32.208 20.487 ( -8.459 -4.884 -6.930) 11.977 20.496 ( -0.797 -0.460 -23.515) 23.533 21.716 ( -7.104 -4.101 5.270) 9.750 22.675 ( -5.711 -3.297 -4.153) 7.793 24.153 ( -17.909 -10.340 -3.272) 20.937 24.854 ( -15.781 -9.111 -8.067) 19.928 25.694 ( 3.501 2.021 -0.484) 4.071 28.587 ( -1.727 -0.997 8.035) 8.278 29.101 ( -11.317 -6.534 9.967) 16.435 31.599 ( 10.848 6.263 9.802) 15.905 32.029 ( 1.436 0.829 1.555) 2.273 33.458 ( -3.497 -2.019 -16.367) 16.857 35.771 ( 2.498 1.442 2.137) 3.589======================= Grid point 227 (45/124) =======================q-point: (-0.20 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.363 ( -12.568 -7.256 13.733) 19.980 1.396 ( -8.022 -4.632 16.713) 19.108 2.543 ( -19.906 -11.493 17.977) 29.181 2.733 ( 8.001 4.619 -1.864) 9.425 3.077 ( 1.535 0.886 -1.195) 2.138 3.217 ( -1.977 -1.142 8.114) 8.429 5.276 ( 0.657 0.380 6.216) 6.262 7.321 ( 0.131 0.076 -0.236) 0.280 7.529 ( -2.761 -1.594 -4.549) 5.555 14.309 ( -46.241 -26.697 4.321) 53.569 16.749 ( -8.341 -4.816 -18.086) 20.491 17.247 ( -19.801 -11.432 -10.577) 25.192 18.025 ( 3.277 1.892 0.653) 3.839 19.409 ( -33.454 -19.315 6.537) 39.179 20.159 ( -18.650 -10.768 -6.314) 22.442 20.651 ( 10.312 5.954 -12.511) 17.272 21.489 ( -9.524 -5.498 -10.805) 15.417 22.671 ( 3.799 2.193 7.794) 8.944 23.684 ( -20.932 -12.085 6.609) 25.058 24.508 ( -11.984 -6.919 -11.086) 17.731 25.833 ( 8.263 4.771 5.860) 11.197 28.559 ( -0.594 -0.343 7.138) 7.171 28.869 ( -8.259 -4.768 10.403) 14.113 31.858 ( 10.220 5.901 9.797) 15.338 32.055 ( 0.735 0.425 3.046) 3.162 33.350 ( -4.863 -2.808 -20.473) 21.229 35.831 ( 2.632 1.520 5.093) 5.931======================= Grid point 228 (46/124) =======================q-point: (-0.10 0.00 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.135 ( -5.531 -3.193 22.025) 22.932 1.257 ( -3.968 -2.291 24.621) 25.044 2.016 ( -21.191 -12.235 30.447) 39.061 2.938 ( 8.065 4.656 -3.315) 9.885 3.095 ( -0.015 -0.008 -2.604) 2.604 3.176 ( -1.896 -1.095 5.565) 5.980 5.318 ( 2.789 1.610 5.509) 6.381 7.323 ( -0.081 -0.047 -0.343) 0.355 7.415 ( -6.440 -3.718 -4.337) 8.608 13.375 ( -29.804 -17.207 1.900) 34.467 16.560 ( -7.059 -4.075 -17.134) 18.974 16.732 ( -21.847 -12.614 -19.127) 31.658 18.124 ( 4.813 2.779 1.978) 5.899 18.629 ( -28.348 -16.367 2.639) 32.840 19.706 ( -16.778 -9.687 -7.271) 20.693 20.916 ( 11.351 6.554 -16.059) 20.729 21.302 ( -6.790 -3.920 -17.402) 19.087 22.796 ( 6.097 3.520 12.172) 14.061 23.218 ( -17.036 -9.836 11.087) 22.581 24.316 ( -4.488 -2.591 -8.305) 9.789 26.066 ( 10.238 5.911 12.983) 17.559 28.560 ( 0.637 0.368 6.639) 6.680 28.698 ( -6.504 -3.755 8.152) 11.084 32.027 ( 3.141 1.813 6.481) 7.427 32.062 ( -0.179 -0.103 4.061) 4.066 33.288 ( 0.655 0.378 -20.785) 20.799 35.892 ( 2.370 1.368 7.343) 7.836======================= Grid point 230 (47/124) =======================q-point: ( 0.10 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.312 ( 10.093 13.084 12.497) 20.718 1.488 ( 16.705 3.798 20.720) 26.885 2.340 ( 6.533 24.661 23.896) 34.955 2.818 ( -2.137 -10.542 -3.430) 11.290 3.046 ( -4.737 0.154 -2.680) 5.444 3.174 ( -2.459 0.875 7.198) 7.657 5.285 ( -0.296 -1.126 6.462) 6.566 7.309 ( -0.971 0.774 -0.487) 1.334 7.529 ( 3.948 3.282 -4.562) 6.868 14.000 ( 22.327 43.713 3.193) 49.188 16.605 ( -2.704 12.985 -16.504) 21.173 17.162 ( 14.931 17.513 -14.966) 27.452 18.209 ( 13.661 -4.984 2.553) 14.764 19.063 ( 7.309 35.851 3.189) 36.727 20.052 ( 13.334 19.932 -5.254) 24.549 20.771 ( -0.715 -12.387 -14.815) 19.324 21.335 ( -5.401 9.225 -12.699) 16.599 22.833 ( 11.369 -7.961 9.563) 16.855 23.449 ( 1.527 24.474 8.459) 25.939 24.410 ( 2.502 9.026 -10.549) 14.107 25.913 ( -2.623 -8.821 8.074) 12.242 28.632 ( 5.629 1.183 6.631) 8.778 28.819 ( 6.177 6.882 9.140) 13.002 31.906 ( -2.614 -11.269 5.863) 12.969 32.187 ( 9.184 1.141 6.949) 11.573 33.180 ( -12.197 4.584 -20.425) 24.227 35.837 ( -2.663 -2.735 5.647) 6.816======================= Grid point 231 (48/124) =======================q-point: ( 0.20 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 15.157 11.812 6.104) 20.162 1.849 ( 18.188 3.544 13.949) 23.193 2.614 ( -3.731 -4.503 -1.051) 5.942 2.731 ( 6.129 10.863 13.878) 18.659 2.959 ( -4.258 2.316 -2.533) 5.469 3.113 ( -5.081 0.725 8.518) 9.945 5.291 ( 1.040 0.445 6.116) 6.220 7.312 ( -0.106 1.458 -0.314) 1.495 7.594 ( 1.715 -0.215 -2.171) 2.775 14.928 ( 28.139 43.383 4.752) 51.927 16.746 ( 1.820 15.988 -15.969) 22.670 17.546 ( 12.443 9.996 -4.737) 16.649 18.444 ( 13.702 0.755 4.147) 14.336 19.515 ( 7.196 23.387 9.170) 26.131 20.424 ( 6.639 5.332 -5.280) 10.019 20.710 ( 9.849 -7.138 -11.078) 16.452 21.340 ( -6.551 14.417 -7.724) 17.619 22.975 ( 13.137 -8.944 4.633) 16.554 23.802 ( 8.871 26.174 3.097) 27.810 24.596 ( 6.697 11.435 -12.187) 18.003 25.827 ( 0.616 -5.434 2.944) 6.210 28.726 ( 0.625 5.938 7.925) 9.923 29.061 ( 13.933 3.707 8.314) 16.643 31.699 ( -1.550 -22.416 5.666) 23.172 32.329 ( 0.462 6.264 9.057) 11.022 33.055 ( -6.719 8.686 -19.758) 22.605 35.758 ( -3.061 -2.192 2.545) 4.545======================= Grid point 232 (49/124) =======================q-point: ( 0.30 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.036 ( 12.870 6.026 4.780) 14.993 2.133 ( 8.718 -1.217 7.458) 11.538 2.453 ( -1.394 -5.904 -4.306) 7.440 2.776 ( -5.718 1.585 3.430) 6.853 3.013 ( -7.979 3.763 8.511) 12.259 3.131 ( 10.545 9.517 6.165) 15.484 5.320 ( 1.217 0.716 5.531) 5.708 7.329 ( -0.103 1.977 -0.048) 1.980 7.597 ( -0.016 -1.610 0.452) 1.672 15.766 ( 18.107 36.309 6.250) 41.052 16.985 ( 5.082 17.021 -15.716) 23.717 17.809 ( 8.930 4.309 3.490) 10.511 18.651 ( 2.528 8.296 3.028) 9.186 19.774 ( 3.220 10.311 15.050) 18.525 20.435 ( 1.274 -4.375 -7.812) 9.044 20.881 ( 10.415 -6.306 -5.614) 13.407 21.422 ( -1.800 15.047 0.089) 15.154 23.106 ( 10.184 -5.949 -2.325) 12.021 24.238 ( 10.214 21.722 -4.465) 24.415 24.869 ( 12.135 8.126 -9.514) 17.430 25.785 ( 0.697 -7.060 1.574) 7.267 28.779 ( -2.991 8.551 9.105) 12.844 29.349 ( 13.526 3.072 6.544) 15.337 31.397 ( -1.002 -30.802 5.824) 31.364 32.320 ( -12.412 15.690 4.763) 20.565 33.141 ( 6.634 4.771 -13.297) 15.607 35.693 ( -1.888 -1.376 -0.550) 2.400======================= Grid point 233 (50/124) =======================q-point: ( 0.40 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.058 ( -6.250 -5.539 -0.874) 8.397 2.234 ( 4.952 -2.517 3.290) 6.456 2.494 ( 4.963 -3.697 -1.075) 6.282 2.732 ( -1.629 6.028 5.184) 8.116 2.925 ( -5.705 5.116 9.364) 12.099 3.376 ( 7.773 4.525 3.491) 9.647 5.338 ( 0.121 0.289 5.196) 5.206 7.343 ( -0.752 2.196 0.116) 2.324 7.572 ( -0.468 -1.750 1.908) 2.631 16.287 ( 4.380 26.705 8.730) 28.436 17.213 ( 0.929 13.723 -16.548) 21.517 17.942 ( 3.914 -1.134 7.289) 8.351 18.640 ( -15.553 10.938 -1.609) 19.082 19.892 ( 3.381 4.099 18.662) 19.404 20.458 ( 5.489 -3.636 -4.511) 7.981 20.922 ( 0.623 -3.622 -7.141) 8.031 21.539 ( 3.503 4.526 9.531) 11.117 23.186 ( 2.313 -2.731 -8.912) 9.604 24.541 ( 2.306 13.792 -13.947) 19.750 25.151 ( 12.937 0.554 -1.110) 12.996 25.688 ( -1.287 -10.383 0.635) 10.482 28.795 ( -5.758 9.769 9.491) 14.787 29.550 ( 4.604 1.371 4.643) 6.681 31.099 ( 5.414 -30.254 6.992) 31.520 32.261 ( -13.646 18.925 1.587) 23.386 33.313 ( 8.499 0.311 -8.889) 12.302 35.668 ( 0.096 -0.482 -2.340) 2.391======================= Grid point 234 (51/124) =======================q-point: (-0.50 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( -6.090 -4.097 -0.491) 7.357 2.171 ( -8.661 -0.961 0.230) 8.718 2.471 ( -0.162 -5.712 0.948) 5.792 2.824 ( 4.078 4.622 5.671) 8.376 2.938 ( 0.264 4.709 8.507) 9.727 3.475 ( 1.008 -1.129 4.267) 4.527 5.328 ( -1.247 -0.171 5.081) 5.235 7.346 ( -1.370 1.942 0.186) 2.384 7.554 ( 0.141 -0.970 1.576) 1.856 16.437 ( -12.726 12.820 12.638) 22.046 17.257 ( -8.822 8.162 -19.892) 23.241 17.923 ( -2.148 -5.076 7.294) 9.142 18.378 ( -22.682 10.216 -3.212) 25.083 20.009 ( 4.747 4.753 21.526) 22.550 20.508 ( 4.472 -6.355 -5.929) 9.774 20.827 ( -7.477 -3.154 -9.062) 12.165 21.660 ( 7.323 0.237 14.916) 16.618 23.085 ( -10.221 -3.580 -12.118) 16.252 24.586 ( -6.442 1.994 -16.206) 17.553 25.255 ( -1.664 -4.283 3.137) 5.563 25.587 ( 3.432 -8.188 -2.469) 9.215 28.776 ( -7.877 10.290 8.982) 15.767 29.490 ( -8.255 -5.730 5.473) 11.443 31.048 ( 17.447 -18.900 7.659) 26.838 32.228 ( -11.367 17.713 1.298) 21.086 33.422 ( 5.276 -3.567 -9.329) 11.295 35.684 ( 1.870 0.004 -2.018) 2.752======================= Grid point 235 (52/124) =======================q-point: (-0.40 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -8.482 -0.854 5.101) 9.934 1.943 ( -16.492 1.062 1.917) 16.637 2.459 ( 4.461 -1.550 -1.526) 4.963 2.933 ( 3.050 2.090 6.083) 7.119 2.972 ( 0.139 -0.142 6.179) 6.182 3.386 ( -6.347 -5.683 8.237) 11.850 5.299 ( -1.558 -0.058 5.221) 5.449 7.337 ( -1.333 1.108 0.141) 1.739 7.557 ( 0.531 0.188 -0.300) 0.638 16.001 ( -40.268 -5.973 10.900) 42.143 17.110 ( -12.920 3.456 -20.187) 24.215 17.776 ( -8.424 -5.652 4.597) 11.138 18.163 ( -13.539 12.897 -1.640) 18.770 20.111 ( -1.264 0.856 30.251) 30.289 20.447 ( -0.185 -10.408 -18.356) 21.103 20.637 ( -9.320 -0.910 -10.471) 14.048 21.742 ( 0.482 -2.790 11.704) 12.042 22.817 ( -12.648 -2.195 -9.507) 15.974 24.366 ( -15.388 -5.679 -8.006) 18.252 25.031 ( -13.626 -8.268 -5.673) 16.918 25.636 ( 5.289 -0.296 -0.573) 5.328 28.730 ( -8.731 9.866 7.699) 15.259 29.224 ( -11.024 -8.484 8.997) 16.567 31.274 ( 21.409 -7.604 7.430) 23.903 32.215 ( -9.009 14.691 2.637) 17.434 33.423 ( 1.233 -7.466 -13.197) 15.213 35.727 ( 2.876 -0.089 0.112) 2.880======================= Grid point 236 (53/124) =======================q-point: (-0.30 0.10 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.579 ( -12.144 2.902 11.417) 16.919 1.641 ( -18.321 3.901 8.286) 20.483 2.594 ( 8.999 2.152 -4.535) 10.304 2.803 ( -15.306 -5.105 15.737) 22.538 3.020 ( 3.928 -1.636 -0.196) 4.259 3.224 ( -2.874 -5.055 9.026) 10.738 5.279 ( -0.720 0.349 5.855) 5.910 7.323 ( -0.736 -0.063 -0.113) 0.748 7.564 ( -0.913 0.935 -2.773) 3.066 15.026 ( -54.282 -11.845 6.138) 55.897 16.881 ( -12.529 -3.970 -17.858) 22.172 17.508 ( -16.116 -3.265 -3.972) 16.917 18.138 ( -6.232 14.259 0.976) 15.592 19.765 ( -25.225 -15.639 13.570) 32.634 20.401 ( -11.333 -1.797 -6.254) 13.069 20.545 ( 5.422 4.772 -13.415) 15.236 21.576 ( -9.458 -9.520 -3.807) 13.949 22.715 ( -2.030 7.732 2.502) 8.377 23.954 ( -21.939 -8.789 2.139) 23.731 24.679 ( -15.031 -7.271 -11.292) 20.157 25.750 ( 5.739 3.625 2.260) 7.154 28.674 ( -7.364 7.389 6.481) 12.281 28.980 ( -8.925 -3.733 11.025) 14.668 31.603 ( 19.170 -0.094 7.614) 20.627 32.204 ( -7.071 10.956 4.770) 13.885 33.319 ( -1.436 -11.511 -18.113) 21.509 35.780 ( 3.389 -0.465 2.977) 4.535======================= Grid point 241 (54/124) =======================q-point: ( 0.20 0.20 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 11.798 2.971 9.494) 15.432 2.010 ( 11.999 10.990 2.229) 16.423 2.435 ( -4.849 -7.514 -3.460) 9.589 2.904 ( -5.001 2.141 4.516) 7.070 3.004 ( 5.092 0.704 8.830) 10.217 3.237 ( -3.782 10.799 6.208) 13.017 5.305 ( 1.252 0.993 5.531) 5.757 7.347 ( 0.710 1.895 0.289) 2.045 7.573 ( 0.496 -1.607 -0.463) 1.744 15.876 ( 18.755 45.511 8.291) 49.917 17.103 ( 4.282 17.201 -16.511) 24.224 17.725 ( 5.857 7.205 1.279) 9.373 18.502 ( 21.586 5.507 1.410) 22.322 19.960 ( -5.047 18.585 16.572) 25.407 20.364 ( -1.904 -8.378 -11.126) 14.057 20.677 ( 8.537 2.991 -6.031) 10.872 21.623 ( -4.840 9.110 3.662) 10.947 22.876 ( 10.404 1.659 -4.261) 11.364 24.284 ( 8.715 19.620 -1.637) 21.531 24.868 ( 1.340 14.292 -11.327) 18.286 25.684 ( 0.294 -8.710 1.892) 8.918 28.909 ( 5.731 11.175 5.896) 13.874 29.126 ( 9.048 3.839 10.457) 14.351 31.211 ( -10.690 -23.948 5.962) 26.895 32.453 ( 9.872 5.526 5.215) 12.458 33.218 ( -8.356 6.119 -14.607) 17.906 35.715 ( -2.296 -1.988 0.011) 3.037======================= Grid point 242 (55/124) =======================q-point: ( 0.30 0.20 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( 6.272 -5.107 6.224) 10.206 2.187 ( -0.514 4.167 1.008) 4.318 2.357 ( 4.113 -3.599 -3.075) 6.271 2.863 ( -3.146 6.128 5.781) 8.993 3.037 ( -1.483 0.046 10.731) 10.833 3.325 ( 2.481 6.859 -0.272) 7.299 5.335 ( 0.819 0.811 5.411) 5.532 7.380 ( 0.044 2.864 0.657) 2.939 7.554 ( -0.082 -2.409 1.341) 2.758 16.527 ( 7.251 34.206 10.449) 36.493 17.354 ( 2.652 17.262 -13.778) 22.245 17.855 ( 4.433 0.114 3.518) 5.660 18.919 ( 7.857 17.960 -2.375) 19.747 19.961 ( -7.993 6.708 7.567) 12.890 20.295 ( 5.003 -8.627 1.398) 10.070 20.837 ( 6.373 2.550 -4.114) 8.002 21.570 ( -4.509 -2.464 8.656) 10.066 23.094 ( 8.056 6.337 -10.163) 14.434 24.639 ( 8.950 16.272 -4.302) 19.063 24.988 ( 1.661 3.719 -8.602) 9.518 25.566 ( -0.235 -14.104 2.632) 14.349 29.046 ( -5.773 17.117 8.375) 19.912 29.396 ( 15.318 2.113 6.374) 16.725 30.767 ( -6.229 -30.240 5.488) 31.359 32.616 ( -3.135 13.132 2.813) 13.791 33.188 ( 2.158 -0.552 -9.427) 9.686 35.668 ( -1.025 -1.121 -2.543) 2.962======================= Grid point 243 (56/124) =======================q-point: ( 0.40 0.20 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.948 ( -3.390 -3.501 2.849) 5.645 2.233 ( 0.709 1.427 -0.273) 1.616 2.373 ( 2.525 -6.222 -0.037) 6.715 2.901 ( -2.436 8.301 6.858) 11.039 2.996 ( -2.865 1.633 10.210) 10.730 3.422 ( 3.500 -0.189 -1.841) 3.959 5.345 ( -0.467 0.338 5.378) 5.409 7.399 ( -1.483 2.925 0.816) 3.380 7.532 ( 0.573 -2.066 1.917) 2.876 16.813 ( -7.568 20.774 12.879) 25.588 17.494 ( -5.134 12.147 -12.850) 18.412 17.883 ( 1.311 -4.223 3.783) 5.819 18.990 ( -23.526 21.710 -8.370) 33.089 19.963 ( 5.440 2.181 7.289) 9.353 20.319 ( 6.322 -9.609 4.665) 12.412 20.918 ( -3.317 3.366 -2.722) 5.454 21.497 ( 6.167 -7.868 11.723) 15.406 23.212 ( -3.494 4.807 -12.939) 14.238 24.775 ( -9.545 7.420 -11.856) 16.933 25.123 ( 13.172 0.001 2.964) 13.502 25.412 ( 1.206 -15.622 -0.611) 15.681 29.085 ( -9.393 17.402 8.780) 21.637 29.558 ( -2.936 -0.559 4.703) 5.572 30.509 ( 14.770 -25.777 6.218) 30.353 32.623 ( -11.747 15.904 0.653) 19.783 33.253 ( 7.488 -6.116 -6.413) 11.602 35.657 ( 0.722 -0.521 -3.456) 3.569======================= Grid point 245 (57/124) =======================q-point: (-0.50 0.20 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( -4.374 2.937 4.575) 6.977 2.194 ( -7.872 2.240 -0.725) 8.217 2.352 ( 3.293 -4.799 -0.180) 5.823 2.916 ( -1.208 1.997 4.857) 5.388 2.995 ( -0.277 2.414 10.221) 10.506 3.410 ( -2.509 -4.877 1.537) 5.695 5.329 ( -1.467 0.243 5.344) 5.548 7.384 ( -2.426 1.182 0.795) 2.813 7.540 ( 1.510 -0.087 1.043) 1.837 16.623 ( -29.183 2.821 12.988) 32.067 17.399 ( -14.100 3.302 -15.909) 21.513 17.834 ( -2.754 -2.438 4.088) 5.499 18.699 ( -26.819 18.343 -4.810) 32.846 20.129 ( 4.272 6.841 17.779) 19.523 20.275 ( 3.611 -15.706 -7.588) 17.813 20.792 ( -9.169 0.001 -5.262) 10.571 21.626 ( 9.693 -2.719 12.374) 15.952 23.055 ( -14.472 0.309 -11.903) 18.740 24.596 ( -13.814 0.830 -7.410) 15.698 25.139 ( -7.364 -8.594 -6.134) 12.873 25.471 ( 13.091 0.023 2.428) 13.314 29.068 ( -12.877 16.598 7.150) 22.191 29.318 ( -11.192 -10.833 7.776) 17.409 30.753 ( 27.400 -8.032 5.836) 29.143 32.553 ( -12.089 12.397 2.114) 17.444 33.287 ( 4.224 -8.554 -9.127) 13.203 35.678 ( 2.062 -0.533 -2.345) 3.168======================= Grid point 253 (58/124) =======================q-point: ( 0.30 0.30 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 1.003 -1.180 5.349) 5.568 2.253 ( -1.020 2.045 -0.122) 2.289 2.295 ( 0.458 -2.235 -2.106) 3.105 2.988 ( 0.696 4.940 9.648) 10.862 3.026 ( 1.835 -1.084 11.302) 11.501 3.393 ( -0.964 0.450 -6.636) 6.721 5.350 ( 0.353 0.481 5.523) 5.555 7.439 ( 1.320 2.582 1.372) 3.208 7.504 ( -1.023 -2.265 1.693) 3.007 17.023 ( 5.727 12.181 14.115) 19.504 17.640 ( 4.665 9.740 -7.957) 13.414 17.816 ( -1.315 -3.577 0.226) 3.818 19.357 ( 18.627 22.402 -12.034) 31.522 19.920 ( -12.658 -12.640 -17.896) 25.303 20.182 ( 0.516 -0.439 27.197) 27.206 20.992 ( 6.764 11.461 1.896) 13.442 21.361 ( -8.373 -14.264 9.418) 19.033 23.283 ( 4.273 7.635 -13.676) 16.235 24.885 ( 13.203 8.868 -2.206) 16.057 25.079 ( -13.634 6.348 -5.579) 16.041 25.233 ( -0.649 -17.419 1.605) 17.505 29.339 ( 0.910 4.348 8.832) 9.887 29.554 ( 13.521 18.598 4.927) 23.515 30.180 ( -15.329 -25.722 5.298) 30.408 32.855 ( 7.611 9.767 -0.269) 12.385 33.116 ( -5.708 -5.868 -4.851) 9.516 35.650 ( -0.436 -0.554 -4.019) 4.080======================= Grid point 327 (59/124) =======================q-point: ( 0.00 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( -0.000 0.000 22.104) 22.104 1.632 ( 0.000 -0.000 22.104) 22.104 2.417 ( 0.000 -0.000 29.066) 29.066 2.983 ( -0.000 0.000 -5.427) 5.427 2.983 ( 0.000 -0.000 -5.427) 5.427 3.275 ( 0.000 -0.000 7.656) 7.656 5.432 ( 0.000 0.000 3.297) 3.297 7.304 ( -0.000 -0.000 -0.513) 0.513 7.304 ( 0.000 0.000 -0.513) 0.513 13.040 ( 0.000 -0.000 2.047) 2.047 16.209 ( 0.000 0.000 -5.223) 5.223 16.209 ( 0.000 -0.000 -5.223) 5.223 18.161 ( 0.000 0.000 -10.947) 10.947 18.161 ( 0.000 -0.000 -10.947) 10.947 19.301 ( 0.000 0.000 -9.695) 9.695 20.790 ( 0.000 0.000 -14.022) 14.022 20.790 ( 0.000 -0.000 -14.022) 14.022 23.190 ( 0.000 0.000 11.506) 11.506 23.190 ( 0.000 -0.000 11.506) 11.506 24.174 ( 0.000 -0.000 -2.507) 2.507 26.516 ( 0.000 -0.000 13.890) 13.890 28.717 ( 0.000 0.000 5.888) 5.888 28.717 ( 0.000 -0.000 5.888) 5.888 32.137 ( 0.000 0.000 4.318) 4.318 32.137 ( 0.000 -0.000 4.318) 4.318 32.874 ( 0.000 -0.000 -23.017) 23.017 36.084 ( 0.000 0.000 7.121) 7.121======================= Grid point 328 (60/124) =======================q-point: ( 0.10 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( -0.369 -0.213 19.634) 19.638 1.836 ( 10.693 6.174 20.083) 23.575 2.547 ( 9.384 5.418 25.105) 27.344 2.915 ( -3.436 -1.984 -6.183) 7.347 2.950 ( -4.455 -2.572 -2.896) 5.903 3.301 ( 1.124 0.649 7.535) 7.646 5.418 ( -0.861 -0.497 4.251) 4.366 7.287 ( -0.554 -0.320 -0.450) 0.782 7.391 ( 5.669 3.273 -1.644) 6.749 13.408 ( 29.371 16.957 2.649) 34.018 16.216 ( 2.240 1.293 -4.508) 5.198 16.549 ( 23.653 13.656 -6.822) 28.152 18.243 ( 3.762 2.172 -11.440) 12.237 18.372 ( 21.063 12.160 -11.070) 26.722 19.558 ( 20.342 11.745 -8.406) 24.948 20.623 ( -7.028 -4.058 -12.699) 15.071 20.956 ( 6.604 3.813 -10.977) 13.366 23.211 ( 6.288 3.630 11.404) 13.520 23.274 ( 2.324 1.342 9.570) 9.939 24.185 ( 1.173 0.677 -3.311) 3.577 26.343 ( -12.419 -7.170 12.521) 19.038 28.762 ( 2.224 1.284 5.944) 6.475 28.814 ( 9.051 5.225 6.376) 12.242 32.098 ( -2.255 -1.302 4.034) 4.801 32.243 ( 7.927 4.577 4.077) 10.020 32.777 ( -8.410 -4.856 -21.479) 23.572 36.032 ( -4.192 -2.420 6.697) 8.263======================= Grid point 329 (61/124) =======================q-point: ( 0.20 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.648 ( 9.555 5.517 11.099) 15.650 2.107 ( 11.671 6.738 16.501) 21.305 2.712 ( -3.578 -2.066 1.624) 4.439 2.823 ( -4.272 -2.466 -6.374) 8.059 2.893 ( 7.310 4.220 15.484) 17.636 3.296 ( -1.645 -0.950 8.660) 8.866 5.408 ( 0.160 0.092 5.227) 5.230 7.284 ( 0.309 0.178 -0.347) 0.497 7.522 ( 4.760 2.748 -1.801) 5.785 14.297 ( 42.557 24.571 4.081) 49.310 16.311 ( 5.888 3.399 -4.960) 8.415 17.164 ( 26.049 15.040 -3.448) 30.276 18.359 ( 5.684 3.281 -12.132) 13.794 19.033 ( 30.846 17.809 -9.868) 36.959 20.166 ( 28.324 16.353 -2.695) 32.816 20.477 ( -4.091 -2.362 -12.739) 13.587 21.083 ( 3.837 2.215 -1.011) 4.544 23.298 ( -0.239 -0.138 6.892) 6.897 23.461 ( 13.913 8.033 6.786) 17.440 24.256 ( 5.714 3.299 -5.394) 8.523 26.053 ( -10.255 -5.921 6.816) 13.663 28.817 ( 2.331 1.346 6.569) 7.099 29.087 ( 12.878 7.435 6.649) 16.289 32.036 ( -2.777 -1.604 2.928) 4.342 32.432 ( -4.243 -2.450 1.023) 5.005 32.555 ( 2.086 1.204 -14.376) 14.577 35.903 ( -6.310 -3.643 4.903) 8.783======================= Grid point 330 (62/124) =======================q-point: ( 0.30 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 13.137 7.585 3.739) 15.623 2.357 ( 8.609 4.971 12.602) 16.051 2.500 ( -10.629 -6.137 -4.585) 13.102 2.722 ( -3.641 -2.102 -5.587) 6.992 3.150 ( 9.062 5.232 16.919) 19.894 3.238 ( -1.235 -0.713 8.251) 8.373 5.422 ( 0.865 0.499 5.321) 5.414 7.298 ( 0.765 0.442 -0.229) 0.913 7.604 ( 2.231 1.288 -0.106) 2.578 15.271 ( 37.345 21.561 5.624) 43.488 16.497 ( 9.608 5.547 -6.822) 13.024 17.723 ( 20.615 11.902 4.593) 24.243 18.466 ( 2.203 1.272 -13.334) 13.575 19.665 ( 20.687 11.944 -5.732) 24.565 20.372 ( -0.692 -0.399 -2.198) 2.339 20.895 ( 28.119 16.235 -3.884) 32.701 21.131 ( 0.294 0.170 10.986) 10.991 23.264 ( -2.618 -1.512 2.683) 4.042 23.798 ( 12.855 7.422 -3.021) 15.148 24.505 ( 15.932 9.198 -6.625) 19.553 25.881 ( -4.913 -2.837 -0.356) 5.685 28.866 ( 1.679 0.969 7.570) 7.814 29.383 ( 11.572 6.681 6.418) 14.824 31.974 ( -2.275 -1.313 1.328) 2.943 32.088 ( -16.519 -9.537 -5.769) 19.927 32.835 ( 13.388 7.729 -1.884) 15.573 35.755 ( -5.737 -3.312 1.758) 6.853======================= Grid point 331 (63/124) =======================q-point: ( 0.40 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.119 ( -3.610 -2.084 1.105) 4.313 2.354 ( 3.780 2.183 -6.603) 7.915 2.434 ( -3.037 -1.753 4.418) 5.641 2.721 ( 4.351 2.512 0.787) 5.085 3.116 ( -3.783 -2.184 12.858) 13.580 3.420 ( 8.829 5.097 8.951) 13.566 5.440 ( 0.482 0.278 5.109) 5.140 7.314 ( 0.529 0.305 -0.144) 0.628 7.631 ( 0.164 0.094 1.763) 1.774 16.000 ( 24.354 14.061 7.052) 28.992 16.723 ( 7.951 4.591 -10.095) 13.645 18.113 ( 11.900 6.871 12.507) 18.581 18.421 ( -6.535 -3.773 -13.823) 15.748 19.996 ( 8.143 4.702 -3.962) 10.204 20.409 ( 3.403 1.965 -0.377) 3.948 21.112 ( -1.530 -0.883 19.946) 20.024 21.482 ( 20.956 12.099 5.589) 24.835 23.168 ( -5.837 -3.370 -3.672) 7.675 24.032 ( 7.185 4.148 -13.055) 15.468 24.952 ( 19.301 11.143 -5.429) 22.938 25.768 ( -5.746 -3.317 -5.222) 8.443 28.890 ( 0.225 0.130 8.558) 8.562 29.607 ( 6.702 3.869 5.743) 9.637 31.729 ( -12.842 -7.414 0.450) 14.836 31.937 ( -0.749 -0.433 -0.155) 0.879 33.118 ( 9.828 5.674 -2.297) 11.578 35.650 ( -2.855 -1.649 -1.336) 3.557======================= Grid point 332 (64/124) =======================q-point: (-0.50 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( -7.228 -4.173 -1.323) 8.451 2.291 ( -7.893 -4.557 2.419) 9.429 2.471 ( 2.045 1.180 -4.390) 4.985 2.850 ( 5.336 3.081 2.477) 6.641 3.074 ( 0.844 0.487 12.553) 12.591 3.582 ( 4.601 2.656 6.776) 8.610 5.439 ( -0.605 -0.349 5.062) 5.110 7.321 ( 0.067 0.039 -0.099) 0.126 7.618 ( -1.117 -0.645 2.563) 2.869 16.441 ( 12.614 7.283 10.222) 17.795 16.799 ( -2.428 -1.402 -14.786) 15.049 18.166 ( -13.939 -8.048 -12.973) 20.673 18.267 ( 0.752 0.434 16.921) 16.943 20.100 ( 1.552 0.896 -8.260) 8.452 20.489 ( 2.430 1.403 -0.677) 2.887 21.062 ( -3.093 -1.786 26.801) 27.038 21.886 ( 13.339 7.701 14.218) 20.961 22.968 ( -11.362 -6.560 -10.624) 16.882 24.150 ( 2.835 1.637 -18.184) 18.477 25.281 ( 4.319 2.493 -4.569) 6.763 25.609 ( -4.926 -2.844 -6.816) 8.878 28.874 ( -1.554 -0.897 9.083) 9.259 29.671 ( -1.675 -0.967 5.919) 6.227 31.527 ( -3.546 -2.047 5.510) 6.865 31.942 ( 1.185 0.684 -0.837) 1.604 33.275 ( 3.197 1.846 -4.722) 5.993 35.630 ( 1.146 0.662 -2.602) 2.919======================= Grid point 334 (65/124) =======================q-point: (-0.40 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( -3.143 -1.815 0.999) 3.764 2.084 ( -9.340 -5.393 5.205) 11.975 2.456 ( -1.685 -0.973 -2.270) 2.990 2.955 ( 3.531 2.038 0.966) 4.190 3.128 ( 2.365 1.366 10.512) 10.861 3.626 ( -1.127 -0.651 7.374) 7.488 5.415 ( -1.223 -0.706 5.243) 5.430 7.319 ( -0.176 -0.102 -0.124) 0.238 7.584 ( -1.679 -0.969 1.797) 2.643 16.378 ( -23.023 -13.292 4.177) 26.911 16.734 ( 0.094 0.054 -6.660) 6.661 17.873 ( -7.939 -4.584 -14.320) 17.003 18.141 ( -11.339 -6.547 15.541) 20.322 20.093 ( -2.297 -1.326 -18.467) 18.657 20.495 ( -2.134 -1.232 -2.540) 3.539 20.933 ( -8.471 -4.890 32.819) 34.245 22.057 ( -2.549 -1.471 13.125) 13.451 22.691 ( -7.876 -4.547 -9.784) 13.358 24.162 ( -1.971 -1.138 -16.115) 16.275 25.064 ( -17.040 -9.838 -10.470) 22.288 25.642 ( 3.915 2.261 -0.031) 4.521 28.822 ( -2.696 -1.556 8.926) 9.453 29.539 ( -8.666 -5.003 8.018) 12.823 31.563 ( 5.969 3.446 6.799) 9.681 31.989 ( 2.561 1.478 -0.398) 2.984 33.269 ( -3.507 -2.025 -9.240) 10.088 35.696 ( 4.142 2.391 -1.292) 4.954======================= Grid point 335 (66/124) =======================q-point: (-0.30 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.774 ( -1.360 -0.785 8.454) 8.599 1.861 ( -9.209 -5.317 9.895) 14.526 2.461 ( 2.928 1.691 -4.009) 5.245 3.017 ( 1.712 0.988 -0.884) 2.165 3.135 ( -2.661 -1.536 10.661) 11.094 3.533 ( -6.082 -3.511 10.066) 12.274 5.392 ( -0.573 -0.331 5.347) 5.388 7.315 ( -0.121 -0.070 -0.258) 0.294 7.538 ( -2.341 -1.352 -0.099) 2.705 15.529 ( -45.357 -26.187 2.713) 52.444 16.662 ( -6.194 -3.576 -4.876) 8.656 17.741 ( -22.153 -12.790 8.579) 26.980 17.823 ( 2.213 1.277 -13.730) 13.965 19.918 ( -15.497 -8.947 -26.443) 31.929 20.373 ( -8.970 -5.179 -4.282) 11.208 20.689 ( -9.555 -5.517 29.590) 31.581 21.701 ( -22.335 -12.895 -6.520) 26.601 22.714 ( 6.561 3.788 7.741) 10.832 24.052 ( -7.455 -4.304 -6.491) 10.781 24.631 ( -17.927 -10.350 -11.363) 23.614 25.759 ( 7.119 4.110 4.344) 9.297 28.757 ( -2.557 -1.476 8.218) 8.732 29.305 ( -10.380 -5.993 9.499) 15.293 31.768 ( 10.543 6.087 6.003) 13.573 32.054 ( 2.802 1.618 0.895) 3.357 33.127 ( -7.963 -4.597 -14.558) 17.219 35.810 ( 5.249 3.031 1.630) 6.277======================= Grid point 336 (67/124) =======================q-point: (-0.20 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.668 ( -6.635 -3.831 15.602) 17.382 1.747 ( -0.858 -0.495 17.004) 17.033 2.588 ( 6.665 3.848 -5.583) 9.508 2.968 ( -10.852 -6.266 16.122) 20.419 3.038 ( 0.150 0.086 -2.655) 2.660 3.395 ( -4.623 -2.669 9.337) 10.755 5.392 ( 0.586 0.338 5.143) 5.187 7.314 ( 0.021 0.012 -0.444) 0.445 7.466 ( -3.927 -2.267 -1.789) 4.874 14.388 ( -47.845 -27.623 3.187) 55.339 16.483 ( -8.145 -4.703 -6.647) 11.517 17.127 ( -28.575 -16.498 -0.269) 32.996 17.913 ( 4.751 2.743 -11.851) 13.060 19.308 ( -33.266 -19.206 -17.315) 42.134 20.032 ( -19.694 -11.370 -6.057) 23.534 20.581 ( 0.049 0.028 6.278) 6.279 21.226 ( -15.512 -8.956 -13.598) 22.488 22.890 ( 7.544 4.356 12.490) 15.228 23.789 ( -14.923 -8.616 3.437) 17.571 24.300 ( -8.792 -5.076 -8.020) 12.938 26.006 ( 13.465 7.774 9.080) 18.005 28.710 ( -1.348 -0.778 7.265) 7.430 29.067 ( -9.658 -5.576 8.648) 14.112 32.017 ( 9.261 5.347 5.305) 11.937 32.113 ( 1.984 1.146 2.458) 3.360 32.930 ( -7.542 -4.355 -19.232) 21.112 35.934 ( 5.033 2.906 4.671) 7.456======================= Grid point 337 (68/124) =======================q-point: (-0.10 0.00 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.572 ( -1.000 -0.577 20.518) 20.551 1.725 ( -1.656 -0.956 21.180) 21.266 2.568 ( -10.286 -5.939 21.143) 24.251 2.863 ( 5.511 3.182 -2.183) 6.728 3.026 ( -1.183 -0.683 -4.208) 4.424 3.312 ( -2.683 -1.549 7.568) 8.178 5.415 ( 1.170 0.676 4.218) 4.429 7.314 ( -0.149 -0.086 -0.539) 0.566 7.360 ( -4.452 -2.570 -1.587) 5.380 13.421 ( -30.948 -17.868 2.537) 35.826 16.307 ( -6.196 -3.577 -6.363) 9.575 16.484 ( -22.795 -13.161 -4.874) 26.769 18.038 ( 5.701 3.291 -11.031) 12.846 18.548 ( -27.062 -15.624 -12.236) 33.559 19.543 ( -18.418 -10.634 -8.544) 22.919 20.646 ( 4.818 2.782 -8.715) 10.339 20.963 ( -8.159 -4.710 -14.693) 17.454 23.057 ( 6.463 3.731 12.746) 14.770 23.421 ( -14.086 -8.133 8.548) 18.375 24.190 ( -1.819 -1.050 -3.684) 4.241 26.341 ( 12.955 7.479 12.857) 19.725 28.696 ( 0.209 0.120 6.391) 6.395 28.851 ( -8.338 -4.814 6.600) 11.673 32.142 ( 0.887 0.512 4.842) 4.949 32.143 ( 0.543 0.314 3.730) 3.783 32.840 ( 0.468 0.270 -22.195) 22.201 36.038 ( 3.525 2.035 6.616) 7.768======================= Grid point 339 (69/124) =======================q-point: ( 0.10 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.598 ( 2.589 6.253 14.871) 16.339 1.896 ( 13.695 0.565 18.836) 23.295 2.660 ( 1.041 -4.790 -0.864) 4.978 2.865 ( 2.013 9.595 15.029) 17.944 2.979 ( -5.877 1.518 -3.604) 7.059 3.335 ( -1.566 2.750 8.557) 9.123 5.402 ( 0.130 -0.733 5.028) 5.083 7.299 ( -0.962 1.057 -0.392) 1.481 7.465 ( 4.537 3.578 -2.026) 6.123 14.069 ( 23.151 45.300 3.418) 50.988 16.371 ( -1.125 11.745 -5.461) 13.001 16.957 ( 17.167 24.869 -4.101) 30.496 18.125 ( 14.918 -5.964 -11.241) 19.608 18.972 ( 8.341 35.780 -13.541) 39.155 19.945 ( 17.221 22.701 -5.643) 29.048 20.550 ( -4.881 -1.873 -5.492) 7.582 21.097 ( 2.146 10.550 -9.288) 14.219 23.053 ( 8.140 -9.706 11.264) 16.951 23.599 ( -0.036 19.698 5.906) 20.564 24.236 ( 1.568 5.078 -5.741) 7.823 26.108 ( -6.568 -13.764 9.526) 17.981 28.767 ( 5.847 1.162 6.344) 8.705 28.993 ( 5.256 9.585 7.709) 13.376 31.996 ( -4.637 -9.934 3.122) 11.398 32.308 ( 11.756 0.805 4.728) 12.696 32.762 ( -10.466 5.661 -19.626) 22.952 35.953 ( -3.981 -4.956 5.447) 8.371======================= Grid point 340 (70/124) =======================q-point: ( 0.20 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.803 ( 10.449 8.859 6.236) 15.052 2.154 ( 14.499 -0.955 14.874) 20.793 2.534 ( -4.416 -10.015 -4.711) 11.916 2.860 ( -8.263 2.606 -4.222) 9.638 3.084 ( 7.304 10.526 14.643) 19.457 3.304 ( -4.726 2.394 10.213) 11.505 5.410 ( 0.928 0.182 5.369) 5.452 7.307 ( -0.066 1.928 -0.120) 1.933 7.563 ( 3.510 1.158 -0.951) 3.817 15.032 ( 29.093 45.258 4.978) 54.032 16.517 ( 1.854 15.297 -5.781) 16.457 17.496 ( 18.532 16.236 1.054) 24.661 18.367 ( 13.807 -0.144 -11.779) 18.149 19.482 ( 13.173 21.201 -13.054) 28.168 20.405 ( 2.979 4.629 4.440) 7.073 20.582 ( 16.329 11.649 -4.046) 20.462 21.238 ( -0.426 15.040 0.300) 15.049 23.093 ( 8.160 -12.609 6.492) 16.362 23.843 ( 3.891 20.792 0.414) 21.157 24.377 ( 7.359 8.641 -8.188) 13.996 25.899 ( -3.694 -8.424 2.953) 9.660 28.880 ( 2.468 5.389 6.846) 9.055 29.227 ( 11.446 5.811 7.807) 15.024 31.766 ( -3.324 -21.168 1.087) 21.455 32.456 ( -4.354 4.911 0.904) 6.625 32.721 ( 2.578 10.906 -10.155) 15.123 35.815 ( -5.421 -4.743 2.907) 7.768======================= Grid point 341 (71/124) =======================q-point: ( 0.30 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.086 ( 10.181 6.419 1.408) 12.118 2.272 ( -2.486 -9.455 1.583) 9.903 2.420 ( 6.148 -1.997 4.385) 7.811 2.759 ( -6.153 4.427 -3.636) 8.407 3.224 ( -5.869 1.768 10.429) 12.097 3.312 ( 7.846 6.280 10.755) 14.720 5.432 ( 0.932 0.552 5.252) 5.363 7.329 ( -0.207 2.557 0.091) 2.567 7.611 ( 1.704 -0.548 0.940) 2.022 15.906 ( 18.772 39.016 6.856) 43.836 16.739 ( 3.612 16.998 -7.722) 19.016 17.911 ( 14.823 5.448 6.526) 17.087 18.543 ( 0.486 7.097 -12.273) 14.185 19.818 ( 11.635 2.054 -10.119) 15.556 20.447 ( -0.820 7.939 5.785) 9.857 20.956 ( 13.851 -2.955 12.757) 19.061 21.447 ( 3.988 21.458 4.315) 22.248 23.076 ( 4.645 -12.495 -0.518) 13.341 24.103 ( 0.998 18.307 -8.824) 20.347 24.695 ( 18.091 8.126 -7.448) 21.184 25.778 ( -2.247 -7.569 -2.666) 8.334 28.958 ( -1.753 8.496 8.085) 11.859 29.485 ( 11.359 3.512 6.760) 13.677 31.464 ( -0.675 -29.011 1.075) 29.038 32.354 ( -15.215 15.650 -1.875) 21.908 32.971 ( 11.937 5.275 -2.947) 13.380 35.684 ( -4.000 -3.576 -0.333) 5.375======================= Grid point 342 (72/124) =======================q-point: ( 0.40 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.048 ( -8.804 -3.830 -0.190) 9.603 2.262 ( 4.074 -4.230 -0.732) 5.918 2.501 ( 1.779 -0.175 1.539) 2.359 2.771 ( 1.927 5.210 -0.034) 5.555 3.149 ( -4.783 3.790 11.416) 12.944 3.489 ( 7.431 1.028 6.954) 10.229 5.446 ( -0.067 0.357 5.103) 5.116 7.347 ( -0.992 2.789 0.199) 2.967 7.616 ( 0.172 -1.461 2.314) 2.742 16.479 ( 6.104 30.793 9.238) 32.723 16.925 ( -3.014 14.394 -11.044) 18.392 18.102 ( 5.948 -5.558 5.539) 9.847 18.508 ( -13.506 9.892 -6.568) 17.983 19.971 ( 8.821 -6.182 -9.187) 14.157 20.529 ( -0.489 8.664 5.913) 10.501 21.053 ( 2.377 -2.673 22.100) 22.388 21.748 ( 10.059 9.637 10.943) 17.715 23.001 ( -1.310 -8.913 -8.578) 12.439 24.236 ( -3.813 13.054 -15.910) 20.930 25.098 ( 17.807 2.873 -4.804) 18.666 25.625 ( -4.418 -10.740 -6.232) 13.180 28.988 ( -5.434 9.608 8.969) 14.223 29.658 ( 3.846 1.517 5.840) 7.155 31.208 ( 7.492 -29.186 3.699) 30.358 32.273 ( -13.749 18.864 -0.607) 23.351 33.187 ( 7.968 0.823 -3.195) 8.624 35.615 ( -0.387 -1.734 -2.655) 3.195======================= Grid point 343 (73/124) =======================q-point: (-0.50 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.895 ( -5.708 0.035 0.344) 5.718 2.196 ( -5.962 -2.660 2.005) 6.829 2.477 ( -2.091 -2.667 -0.372) 3.409 2.880 ( 4.550 2.333 0.744) 5.167 3.145 ( -0.747 4.076 10.620) 11.399 3.585 ( 3.821 -2.463 6.070) 7.584 5.435 ( -1.270 0.025 5.182) 5.336 7.350 ( -1.697 2.535 0.224) 3.059 7.594 ( -0.732 -1.517 2.324) 2.870 16.711 ( -13.186 14.436 12.422) 23.164 16.899 ( -10.907 11.637 -13.509) 20.901 18.010 ( -7.222 -5.143 -5.954) 10.680 18.317 ( -15.108 3.513 5.951) 16.614 20.023 ( 5.002 -7.179 -14.373) 16.827 20.577 ( -3.270 6.422 3.160) 7.869 20.996 ( -4.920 -4.717 28.233) 29.044 21.977 ( 9.089 -0.469 15.649) 18.103 22.824 ( -10.203 -4.501 -12.652) 16.865 24.248 ( -5.702 6.365 -17.308) 19.302 25.194 ( -7.779 -9.759 -8.524) 15.113 25.536 ( 7.573 -3.543 -2.637) 8.767 28.963 ( -8.221 9.338 8.929) 15.313 29.622 ( -6.063 -4.015 7.041) 10.122 31.183 ( 18.265 -20.220 5.239) 27.747 32.249 ( -10.821 18.802 0.558) 21.701 33.254 ( 1.408 -4.036 -6.305) 7.617 35.636 ( 3.546 -0.123 -2.610) 4.404======================= Grid point 344 (74/124) =======================q-point: (-0.40 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( -3.790 3.750 3.711) 6.496 2.031 ( -10.787 0.924 6.632) 12.697 2.428 ( 0.859 -1.892 -1.606) 2.627 2.960 ( 3.591 -0.924 -0.592) 3.755 3.168 ( -1.134 1.623 9.888) 10.084 3.560 ( -2.043 -5.519 8.362) 10.225 5.409 ( -1.436 0.162 5.347) 5.539 7.340 ( -1.783 1.570 0.145) 2.380 7.564 ( -1.429 -0.685 0.913) 1.829 16.176 ( -45.129 -7.190 3.576) 45.838 16.831 ( -11.331 6.003 -4.038) 13.444 17.874 ( -7.013 -1.759 -1.829) 7.458 18.047 ( -16.777 5.353 -1.791) 17.701 19.982 ( -2.273 -8.669 -23.186) 24.858 20.530 ( -8.781 3.993 -1.452) 9.755 20.790 ( -9.181 -8.361 32.394) 34.692 21.911 ( -13.120 -11.339 3.292) 17.650 22.694 ( -0.055 4.606 -0.615) 4.647 24.167 ( -8.080 1.307 -11.419) 14.049 24.830 ( -16.615 -12.179 -11.865) 23.774 25.669 ( 7.173 1.427 1.662) 7.500 28.895 ( -9.041 7.850 8.076) 14.442 29.417 ( -9.282 -6.594 9.321) 14.715 31.400 ( 21.997 -9.865 4.452) 24.515 32.265 ( -8.234 16.883 1.975) 18.888 33.163 ( -4.079 -8.448 -11.084) 14.521 35.725 ( 5.917 0.405 -0.333) 5.940======================= Grid point 345 (75/124) =======================q-point: (-0.30 0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( -8.903 -0.250 8.436) 12.267 1.907 ( -7.407 9.223 14.510) 18.721 2.499 ( 6.880 1.954 -4.858) 8.646 2.990 ( 2.543 -3.694 -2.431) 5.101 3.097 ( -7.961 -1.902 12.542) 14.976 3.429 ( -4.107 -6.180 10.533) 12.884 5.395 ( -0.503 0.571 5.355) 5.408 7.321 ( -1.176 0.009 -0.106) 1.181 7.526 ( -3.021 0.604 -0.996) 3.238 15.134 ( -56.693 -12.205 3.882) 58.122 16.627 ( -12.562 -2.487 -5.840) 14.075 17.492 ( -24.628 -8.217 3.374) 26.180 18.022 ( -5.027 16.721 -12.240) 21.323 19.657 ( -22.976 -14.204 -21.398) 34.461 20.335 ( -16.735 1.970 -1.702) 16.936 20.589 ( -4.909 -4.109 15.193) 16.487 21.440 ( -19.870 -11.763 -7.792) 24.370 22.848 ( 6.030 9.485 9.523) 14.732 23.966 ( -13.635 -4.634 -1.106) 14.443 24.439 ( -13.716 -7.415 -10.501) 18.799 25.845 ( 10.347 3.925 5.104) 12.186 28.816 ( -7.215 5.668 7.066) 11.581 29.193 ( -9.660 -3.713 9.542) 14.077 31.716 ( 19.748 -2.577 3.255) 20.180 32.295 ( -6.407 13.812 3.593) 15.644 32.959 ( -6.164 -11.877 -15.756) 20.671 35.841 ( 6.669 -0.015 2.804) 7.234======================= Grid point 350 (76/124) =======================q-point: ( 0.20 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( 9.415 3.347 2.289) 10.251 2.135 ( 10.771 1.412 9.763) 14.606 2.383 ( -4.602 -4.020 -1.646) 6.329 2.906 ( -4.763 1.926 -2.861) 5.881 3.203 ( 4.007 1.672 9.680) 10.609 3.415 ( -5.635 6.474 9.993) 13.173 5.419 ( 1.216 0.788 5.370) 5.562 7.355 ( 0.904 2.556 0.461) 2.750 7.572 ( 1.768 -0.076 0.378) 1.810 16.036 ( 20.091 49.349 6.213) 53.643 16.863 ( 5.275 16.843 -5.733) 18.558 17.790 ( 6.428 11.359 5.116) 14.019 18.381 ( 22.256 2.137 -11.949) 25.351 19.793 ( -3.439 8.208 -20.523) 22.369 20.565 ( 0.984 12.085 12.591) 17.480 20.719 ( 9.619 2.596 13.625) 16.879 21.659 ( -1.897 21.099 1.176) 21.217 22.851 ( 6.365 -9.256 2.004) 11.410 24.204 ( 8.265 13.078 -6.487) 16.776 24.616 ( 1.653 14.814 -11.909) 19.079 25.719 ( -1.696 -9.380 0.376) 9.540 29.041 ( 7.606 9.835 6.710) 14.128 29.335 ( 5.912 5.499 9.705) 12.624 31.301 ( -11.778 -23.007 2.717) 25.989 32.541 ( 9.519 3.130 2.708) 10.380 32.951 ( -4.644 10.497 -10.352) 15.457 35.715 ( -4.180 -4.836 0.036) 6.392======================= Grid point 351 (77/124) =======================q-point: ( 0.30 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( 3.652 -4.777 0.974) 6.092 2.213 ( -3.395 3.046 1.825) 4.913 2.354 ( 6.981 -4.075 3.211) 8.698 2.895 ( -2.478 8.671 -2.568) 9.376 3.253 ( -1.004 0.937 10.024) 10.118 3.392 ( 0.655 0.621 6.627) 6.688 5.446 ( 0.702 0.834 5.241) 5.353 7.396 ( -0.148 3.723 0.868) 3.826 7.586 ( 0.980 -1.801 1.756) 2.699 16.754 ( 7.754 39.780 10.340) 41.827 17.131 ( 2.244 19.743 -6.883) 21.028 17.942 ( 5.504 -2.280 3.895) 7.118 18.741 ( 6.401 11.885 -11.915) 18.005 19.764 ( 1.565 -6.846 -15.566) 17.077 20.667 ( -2.864 11.725 19.230) 22.704 20.922 ( 10.513 1.348 14.238) 17.750 21.756 ( -2.112 4.352 9.749) 10.883 22.898 ( 4.935 -1.564 -8.040) 9.563 24.462 ( 0.641 15.794 -12.861) 20.378 24.818 ( 11.633 4.505 -8.195) 14.925 25.559 ( -3.307 -13.892 -3.337) 14.665 29.221 ( -3.686 16.991 8.414) 19.316 29.539 ( 11.887 2.062 7.436) 14.172 30.865 ( -5.481 -29.119 3.937) 29.891 32.642 ( -6.224 12.170 -0.666) 13.685 33.044 ( 6.740 1.595 -4.047) 8.022 35.613 ( -2.230 -3.200 -2.690) 4.738======================= Grid point 352 (78/124) =======================q-point: ( 0.40 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.006 ( -5.705 0.353 2.706) 6.324 2.223 ( 0.315 0.096 -0.697) 0.771 2.403 ( 4.265 -7.162 2.792) 8.791 2.951 ( -4.049 10.268 -2.172) 11.249 3.213 ( -3.044 1.940 10.652) 11.248 3.450 ( 6.690 -4.673 4.668) 9.401 5.455 ( -0.550 0.490 5.190) 5.242 7.418 ( -1.888 3.784 0.994) 4.344 7.576 ( 0.559 -2.298 2.363) 3.343 17.109 ( -6.434 25.533 15.267) 30.436 17.260 ( -10.740 16.746 -9.408) 22.007 17.957 ( 3.396 -8.309 1.537) 9.107 18.756 ( -19.203 14.562 -10.617) 26.335 19.776 ( 11.012 -12.298 -15.089) 22.365 20.713 ( -2.788 7.675 19.210) 20.874 21.045 ( -2.898 2.873 17.550) 18.018 21.762 ( 9.124 -8.191 13.640) 18.341 22.935 ( -3.620 2.632 -13.053) 13.799 24.498 ( -10.865 11.955 -15.743) 22.557 25.098 ( 11.910 -1.947 -5.723) 13.356 25.349 ( 0.882 -14.644 -5.018) 15.505 29.272 ( -9.826 17.077 9.101) 21.703 29.674 ( -2.116 -0.007 6.398) 6.739 30.632 ( 15.108 -25.728 5.543) 30.346 32.625 ( -10.524 15.162 -0.546) 18.465 33.146 ( 5.329 -4.816 -3.644) 8.054 35.581 ( 1.392 -1.492 -3.844) 4.352======================= Grid point 354 (79/124) =======================q-point: (-0.50 0.20 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.956 ( -3.247 5.588 2.501) 6.930 2.202 ( -4.790 3.117 2.242) 6.139 2.371 ( 1.407 -6.515 1.589) 6.852 2.943 ( -3.006 1.943 -1.975) 4.088 3.209 ( -0.963 2.650 10.187) 10.569 3.490 ( 3.091 -6.230 5.876) 9.105 5.440 ( -1.464 0.369 5.292) 5.503 7.402 ( -3.018 1.688 0.931) 3.581 7.569 ( 0.299 -0.486 1.715) 1.807 16.888 ( -35.238 1.688 9.073) 36.426 17.148 ( -15.397 7.338 -4.587) 17.662 17.925 ( -0.783 -3.442 2.705) 4.447 18.507 ( -21.716 15.792 -10.527) 28.841 19.845 ( 7.273 -9.097 -18.557) 21.909 20.730 ( -4.465 7.766 13.903) 16.539 20.862 ( -11.538 -7.810 21.571) 25.679 21.878 ( 6.151 -7.105 11.641) 14.961 22.818 ( -8.772 2.672 -9.796) 13.418 24.390 ( -11.990 7.822 -12.927) 19.289 24.944 ( -10.379 -13.181 -11.661) 20.431 25.500 ( 13.576 0.751 -0.751) 13.617 29.219 ( -14.467 13.570 7.543) 21.221 29.497 ( -8.139 -7.668 9.100) 14.417 30.862 ( 26.923 -9.194 4.559) 28.813 32.590 ( -9.808 13.166 1.206) 16.462 33.116 ( -0.900 -8.607 -6.887) 11.060 35.626 ( 4.591 -0.739 -2.661) 5.358======================= Grid point 362 (80/124) =======================q-point: ( 0.30 0.30 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( 2.497 0.591 5.226) 5.822 2.252 ( -1.611 -0.203 0.433) 1.680 2.277 ( -0.555 -1.947 0.149) 2.030 3.091 ( 4.531 9.350 -2.894) 10.785 3.253 ( 2.932 -1.202 10.527) 10.994 3.337 ( -6.565 -4.966 4.317) 9.295 5.462 ( 0.368 0.512 5.219) 5.257 7.470 ( 1.538 3.109 1.633) 3.834 7.543 ( -0.875 -2.185 2.064) 3.131 17.353 ( 5.856 14.903 17.606) 23.799 17.495 ( 8.963 14.774 -5.846) 18.242 17.826 ( -4.445 -8.186 -0.066) 9.315 19.043 ( 15.694 17.109 -15.742) 28.051 19.548 ( -11.219 -13.481 -17.170) 24.544 20.786 ( 0.005 0.761 30.180) 30.190 21.129 ( 9.748 16.387 10.106) 21.580 21.595 ( -9.982 -15.534 12.656) 22.385 22.991 ( 3.435 5.658 -13.627) 15.150 24.714 ( 11.045 8.336 -14.682) 20.175 24.944 ( -4.549 9.036 -7.148) 12.387 25.223 ( -6.244 -17.632 -3.186) 18.975 29.529 ( 0.646 3.457 9.427) 10.061 29.673 ( 13.190 18.834 6.469) 23.886 30.295 ( -14.948 -25.043 5.706) 29.718 32.845 ( 5.794 7.332 -0.815) 9.381 33.031 ( -3.306 -2.691 -3.201) 5.331 35.562 ( -1.000 -1.478 -4.351) 4.703======================= Grid point 436 (81/124) =======================q-point: ( 0.00 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.032 ( -0.000 0.000 17.144) 17.144 2.032 ( 0.000 0.000 17.144) 17.144 2.858 ( 0.000 0.000 -6.877) 6.877 2.858 ( -0.000 -0.000 -6.877) 6.877 2.882 ( -0.000 0.000 16.315) 16.315 3.438 ( 0.000 -0.000 8.060) 8.060 5.493 ( 0.000 0.000 2.544) 2.544 7.295 ( 0.000 0.000 -0.382) 0.382 7.295 ( 0.000 -0.000 -0.382) 0.382 13.086 ( 0.000 -0.000 2.297) 2.297 16.260 ( 0.000 0.000 10.477) 10.477 16.260 ( 0.000 -0.000 10.477) 10.477 17.781 ( 0.000 0.000 -25.553) 25.553 17.781 ( 0.000 -0.000 -25.553) 25.553 19.115 ( 0.000 0.000 -7.981) 7.981 20.600 ( 0.000 0.000 -5.064) 5.064 20.600 ( 0.000 -0.000 -5.064) 5.064 23.389 ( 0.000 0.000 7.806) 7.806 23.389 ( 0.000 -0.000 7.806) 7.806 24.167 ( 0.000 -0.000 1.407) 1.407 26.751 ( 0.000 -0.000 8.827) 8.827 28.816 ( 0.000 0.000 3.701) 3.701 28.816 ( 0.000 -0.000 3.701) 3.701 32.214 ( -0.000 0.000 3.049) 3.049 32.214 ( 0.000 -0.000 3.049) 3.049 32.445 ( 0.000 -0.000 -17.991) 17.991 36.204 ( 0.000 0.000 4.587) 4.587======================= Grid point 437 (82/124) =======================q-point: ( 0.10 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.904 ( -4.226 -2.440 16.593) 17.296 2.197 ( 8.256 4.766 15.086) 17.845 2.777 ( -3.677 -2.123 -7.088) 8.262 2.790 ( -4.036 -2.330 -3.186) 5.645 3.024 ( 6.626 3.825 11.772) 14.040 3.464 ( 1.601 0.924 8.211) 8.416 5.491 ( -0.083 -0.048 2.878) 2.879 7.281 ( -0.426 -0.246 -0.108) 0.504 7.366 ( 4.924 2.843 -0.965) 5.767 13.463 ( 30.118 17.389 2.585) 34.873 16.274 ( 1.927 1.113 10.305) 10.542 16.575 ( 23.268 13.434 9.593) 28.529 17.848 ( 3.429 1.980 -26.206) 26.504 18.007 ( 21.596 12.468 -24.085) 34.669 19.381 ( 21.029 12.141 -8.374) 25.686 20.491 ( -4.005 -2.312 -0.997) 4.731 20.798 ( 11.400 6.582 -4.945) 14.061 23.416 ( 4.925 2.843 8.544) 10.264 23.431 ( 0.393 0.227 5.585) 5.604 24.167 ( 0.245 0.142 0.992) 1.032 26.551 ( -15.010 -8.666 7.647) 18.944 28.856 ( 2.298 1.327 3.257) 4.201 28.928 ( 9.647 5.570 4.627) 12.062 32.173 ( -2.660 -1.536 3.185) 4.424 32.303 ( 5.796 3.346 0.772) 6.737 32.383 ( -4.388 -2.533 -15.160) 15.984 36.146 ( -4.784 -2.762 4.388) 7.055======================= Grid point 438 (83/124) =======================q-point: ( 0.20 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 2.449 1.414 11.196) 11.548 2.405 ( 8.977 5.183 12.052) 15.896 2.642 ( -8.495 -4.904 -5.415) 11.204 2.685 ( -4.121 -2.379 -6.624) 8.156 3.202 ( 8.185 4.726 11.106) 14.584 3.484 ( -0.204 -0.118 9.732) 9.735 5.495 ( 0.515 0.297 3.317) 3.370 7.280 ( 0.378 0.218 0.012) 0.437 7.494 ( 5.399 3.117 -1.057) 6.323 14.375 ( 43.604 25.175 3.360) 50.461 16.345 ( 4.170 2.408 8.255) 9.557 17.230 ( 29.732 17.166 10.233) 35.824 17.959 ( 5.505 3.178 -25.678) 26.454 18.694 ( 32.899 18.994 -22.281) 44.041 20.001 ( 27.493 15.873 -10.783) 33.527 20.447 ( 2.772 1.600 6.682) 7.409 21.115 ( 14.700 8.487 2.729) 17.192 23.404 ( -2.723 -1.572 3.220) 4.500 23.582 ( 7.909 4.566 5.262) 10.540 24.206 ( 4.073 2.351 -0.167) 4.706 26.157 ( -16.219 -9.364 3.279) 19.013 28.919 ( 2.902 1.676 3.392) 4.768 29.209 ( 12.961 7.483 5.062) 15.799 32.094 ( -3.787 -2.187 2.640) 5.108 32.173 ( -10.199 -5.888 -13.542) 17.946 32.551 ( 12.041 6.952 2.012) 14.048 35.991 ( -8.001 -4.620 3.563) 9.902======================= Grid point 439 (84/124) =======================q-point: ( 0.30 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.012 ( 8.263 4.771 3.802) 10.271 2.404 ( -11.214 -6.474 -4.686) 13.771 2.574 ( -2.801 -1.617 1.819) 3.711 2.615 ( 6.152 3.552 1.792) 7.326 3.369 ( 3.377 1.950 5.390) 6.653 3.474 ( 1.747 1.009 13.375) 13.526 5.513 ( 0.836 0.483 3.467) 3.599 7.296 ( 0.789 0.455 -0.003) 0.911 7.604 ( 3.669 2.118 -0.096) 4.237 15.371 ( 38.077 21.984 3.880) 44.139 16.474 ( 6.533 3.772 4.639) 8.856 17.905 ( 26.246 15.153 13.583) 33.212 18.071 ( 3.140 1.813 -23.659) 23.935 19.392 ( 23.733 13.702 -18.958) 33.322 20.322 ( 3.953 2.282 -3.565) 5.792 20.914 ( 31.020 17.910 5.883) 36.299 21.444 ( 11.926 6.885 16.383) 21.402 23.298 ( -6.369 -3.677 0.277) 7.359 23.729 ( 3.719 2.147 -3.286) 5.407 24.414 ( 14.095 8.138 -2.734) 16.504 25.841 ( -10.434 -6.024 -3.162) 12.457 28.986 ( 2.570 1.484 4.101) 5.062 29.502 ( 11.271 6.507 4.975) 13.933 31.916 ( -10.821 -6.247 -8.367) 15.038 32.004 ( -3.580 -2.067 1.526) 4.407 32.855 ( 12.880 7.436 1.683) 14.967 35.792 ( -8.268 -4.773 1.722) 9.701======================= Grid point 440 (85/124) =======================q-point: ( 0.40 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.135 ( -10.180 -5.878 -1.101) 11.807 2.228 ( 8.215 4.743 -3.802) 10.220 2.464 ( -5.165 -2.982 -1.258) 6.095 2.777 ( 6.029 3.481 4.251) 8.157 3.336 ( -2.945 -1.700 8.254) 8.927 3.598 ( 5.848 3.376 8.188) 10.613 5.529 ( 0.429 0.248 3.482) 3.517 7.312 ( 0.543 0.313 -0.049) 0.629 7.663 ( 1.347 0.778 1.246) 1.993 16.112 ( 24.733 14.279 3.334) 28.753 16.613 ( 3.858 2.227 -0.395) 4.472 18.078 ( -3.116 -1.799 -18.068) 18.423 18.424 ( 16.833 9.718 17.922) 26.438 19.772 ( 8.616 4.975 -15.160) 18.133 20.415 ( 4.053 2.340 0.164) 4.683 21.618 ( 27.056 15.621 7.928) 32.232 21.647 ( 5.347 3.087 27.985) 28.658 23.095 ( -11.079 -6.397 -3.845) 13.358 23.769 ( 0.388 0.224 -12.692) 12.700 24.827 ( 18.657 10.772 -6.451) 22.489 25.627 ( -8.716 -5.032 -7.656) 12.645 29.031 ( 1.066 0.615 5.145) 5.290 29.717 ( 6.446 3.721 4.786) 8.849 31.693 ( -7.420 -4.284 -2.642) 8.966 31.938 ( -1.810 -1.045 0.217) 2.101 33.120 ( 8.663 5.001 1.250) 10.081 35.628 ( -4.955 -2.861 -0.705) 5.765======================= Grid point 441 (86/124) =======================q-point: (-0.50 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.930 ( -6.293 -3.633 -0.095) 7.267 2.335 ( -5.684 -3.282 1.813) 6.809 2.376 ( 3.393 1.959 -4.591) 6.036 2.894 ( 3.861 2.229 1.786) 4.803 3.293 ( -0.179 -0.103 8.731) 8.734 3.709 ( 3.325 1.919 5.276) 6.525 5.529 ( -0.432 -0.249 3.638) 3.672 7.319 ( 0.066 0.038 -0.071) 0.105 7.668 ( -0.895 -0.516 2.157) 2.392 16.544 ( 3.803 2.196 -5.298) 6.882 16.631 ( 5.585 3.225 2.783) 7.024 17.898 ( -12.289 -7.095 -11.318) 18.150 18.662 ( 2.574 1.486 21.365) 21.571 19.830 ( -2.816 -1.626 -15.321) 15.662 20.486 ( 1.254 0.724 -0.256) 1.470 21.715 ( 0.292 0.168 32.947) 32.948 22.165 ( 18.629 10.755 12.861) 25.062 22.763 ( -16.671 -9.625 -9.308) 21.382 23.778 ( 0.959 0.554 -18.333) 18.367 25.131 ( 0.223 0.129 -8.750) 8.754 25.457 ( -0.450 -0.260 -7.673) 7.691 29.031 ( -1.157 -0.668 6.067) 6.213 29.787 ( -0.760 -0.439 5.132) 5.206 31.590 ( -0.989 -0.571 1.231) 1.679 31.926 ( 0.897 0.518 -0.696) 1.248 33.232 ( 0.505 0.292 -0.085) 0.589 35.579 ( 0.979 0.565 -2.198) 2.471======================= Grid point 443 (87/124) =======================q-point: (-0.40 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( 0.387 0.223 2.669) 2.706 2.198 ( -5.798 -3.347 5.776) 8.842 2.395 ( -0.892 -0.515 -3.550) 3.696 2.960 ( 1.813 1.047 -0.526) 2.159 3.315 ( 1.243 0.717 7.677) 7.810 3.749 ( -0.066 -0.038 4.395) 4.396 5.511 ( -1.014 -0.585 3.967) 4.136 7.317 ( -0.260 -0.150 -0.132) 0.328 7.626 ( -2.582 -1.491 2.093) 3.643 16.259 ( -21.553 -12.443 -8.403) 26.267 16.862 ( 4.630 2.673 10.071) 11.402 17.556 ( -12.901 -7.449 -13.918) 20.387 18.522 ( -14.480 -8.360 21.476) 27.218 19.680 ( -9.464 -5.464 -20.864) 23.553 20.459 ( -3.632 -2.097 -1.583) 4.483 21.619 ( -9.599 -5.542 31.778) 33.655 22.160 ( -23.533 -13.587 -4.435) 27.533 22.648 ( 11.856 6.845 6.728) 15.254 23.829 ( 3.264 1.885 -16.305) 16.735 24.847 ( -17.317 -9.998 -9.475) 22.127 25.605 ( 7.781 4.492 -3.798) 9.755 28.981 ( -2.877 -1.661 6.455) 7.259 29.687 ( -7.275 -4.200 6.199) 10.440 31.646 ( 5.401 3.118 1.600) 6.438 31.976 ( 3.156 1.822 -0.753) 3.721 33.147 ( -7.312 -4.221 -2.854) 8.912 35.666 ( 5.934 3.426 -1.512) 7.017======================= Grid point 444 (88/124) =======================q-point: (-0.30 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 5.489 3.169 7.191) 9.586 2.068 ( -4.970 -2.869 10.195) 11.699 2.380 ( 0.472 0.272 -3.860) 3.898 2.982 ( 0.071 0.041 -2.628) 2.629 3.317 ( -1.586 -0.916 7.137) 7.369 3.701 ( -3.953 -2.282 6.051) 7.580 5.489 ( -0.698 -0.403 4.038) 4.117 7.309 ( -0.306 -0.177 -0.316) 0.474 7.550 ( -3.770 -2.177 1.094) 4.489 15.512 ( -41.117 -23.739 -2.989) 47.572 16.755 ( -10.563 -6.099 12.641) 17.566 17.460 ( 3.062 1.768 -20.759) 21.058 18.004 ( -28.294 -16.335 17.189) 36.917 19.366 ( -18.020 -10.404 -27.419) 34.420 20.301 ( -10.497 -6.060 -3.083) 12.506 21.251 ( -19.964 -11.526 24.419) 33.581 21.511 ( -27.882 -16.098 -10.702) 33.928 22.925 ( 10.475 6.048 11.436) 16.646 23.900 ( 1.419 0.819 -8.070) 8.235 24.448 ( -15.111 -8.725 -6.246) 18.533 25.811 ( 11.000 6.351 0.403) 12.708 28.906 ( -3.176 -1.834 6.208) 7.210 29.470 ( -10.470 -6.045 6.576) 13.763 31.824 ( 9.114 5.262 -0.332) 10.529 32.064 ( 3.936 2.273 0.009) 4.545 32.916 ( -11.536 -6.660 -5.927) 14.579 35.834 ( 7.740 4.469 0.685) 8.964======================= Grid point 445 (89/124) =======================q-point: (-0.20 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( -2.662 -1.537 14.312) 14.638 2.065 ( 4.203 2.427 14.027) 14.843 2.455 ( 6.348 3.665 -7.296) 10.342 2.967 ( -1.309 -0.756 -4.477) 4.725 3.225 ( -6.378 -3.682 8.913) 11.561 3.581 ( -5.480 -3.164 8.177) 10.339 5.482 ( 0.075 0.043 3.596) 3.597 7.304 ( -0.134 -0.077 -0.551) 0.572 7.449 ( -4.695 -2.711 -0.042) 5.421 14.432 ( -46.730 -26.979 1.219) 53.973 16.511 ( -9.132 -5.273 9.326) 14.077 17.253 ( -33.346 -19.252 12.574) 40.506 17.566 ( 4.848 2.799 -21.278) 22.002 18.802 ( -28.889 -16.679 -29.734) 44.686 19.912 ( -22.275 -12.861 -5.694) 26.344 20.805 ( -15.198 -8.775 12.958) 21.815 20.978 ( -15.623 -9.020 -10.474) 20.860 23.138 ( 7.630 4.405 11.284) 14.316 23.816 ( -9.333 -5.388 -0.719) 10.801 24.203 ( -4.621 -2.668 -1.771) 5.623 26.152 ( 17.203 9.932 4.736) 20.421 28.841 ( -2.164 -1.249 5.482) 6.025 29.211 ( -11.187 -6.459 5.460) 14.025 32.050 ( 9.333 5.388 -2.287) 11.017 32.150 ( 3.179 1.835 1.180) 3.856 32.637 ( -11.229 -6.483 -8.484) 15.495 36.012 ( 7.011 4.048 2.948) 8.616======================= Grid point 446 (90/124) =======================q-point: (-0.10 0.00 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.954 ( 1.140 0.658 16.951) 17.002 2.108 ( -0.685 -0.395 16.305) 16.324 2.657 ( 9.658 5.576 -6.120) 12.721 2.923 ( -2.349 -1.356 -5.954) 6.542 3.034 ( -8.655 -4.997 12.386) 15.915 3.475 ( -3.127 -1.805 8.118) 8.885 5.488 ( 0.371 0.214 2.919) 2.950 7.302 ( -0.116 -0.067 -0.607) 0.622 7.341 ( -3.931 -2.269 -0.391) 4.556 13.472 ( -31.152 -17.986 2.305) 36.045 16.337 ( -5.410 -3.123 9.567) 11.426 16.545 ( -23.648 -13.653 10.756) 29.349 17.681 ( 4.869 2.811 -23.284) 23.953 18.129 ( -24.470 -14.128 -27.596) 39.496 19.372 ( -19.802 -11.433 -7.819) 24.166 20.581 ( -3.905 -2.255 1.395) 4.720 20.733 ( -6.849 -3.955 -7.970) 11.229 23.290 ( 5.304 3.062 9.839) 11.590 23.555 ( -10.366 -5.985 4.491) 12.784 24.165 ( -0.089 -0.051 0.789) 0.795 26.554 ( 14.836 8.566 7.780) 18.816 28.809 ( -0.534 -0.308 4.541) 4.583 28.958 ( -9.559 -5.519 3.901) 11.707 32.206 ( 1.407 0.812 2.309) 2.823 32.211 ( 2.639 1.524 0.976) 3.199 32.445 ( -3.215 -1.856 -14.632) 15.096 36.150 ( 4.345 2.508 4.271) 6.588======================= Grid point 448 (91/124) =======================q-point: ( 0.10 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.893 ( -2.705 1.268 13.800) 14.120 2.239 ( 11.214 -0.720 14.750) 18.543 2.552 ( 0.278 -10.777 -7.071) 12.893 2.877 ( -7.395 3.126 -5.592) 9.784 3.167 ( 3.408 8.353 10.768) 14.047 3.516 ( -0.666 4.217 8.839) 9.816 5.488 ( 0.413 -0.142 3.324) 3.352 7.294 ( -0.610 1.122 -0.173) 1.289 7.438 ( 4.340 3.997 -0.814) 5.955 14.131 ( 24.192 45.236 2.500) 51.360 16.408 ( -0.748 10.554 9.047) 13.921 17.021 ( 16.661 28.732 10.464) 34.822 17.769 ( 13.893 -4.528 -22.702) 26.998 18.539 ( 11.298 31.192 -27.151) 42.870 19.810 ( 18.616 26.971 -7.180) 33.549 20.540 ( -7.793 7.751 2.881) 11.363 20.987 ( 12.461 12.839 -1.781) 17.980 23.263 ( 4.228 -8.927 8.894) 13.292 23.682 ( -0.465 14.118 2.344) 14.319 24.179 ( 1.169 1.609 -0.340) 2.018 26.262 ( -10.118 -17.529 5.239) 20.907 28.877 ( 4.918 2.073 4.271) 6.836 29.124 ( 5.622 11.176 5.037) 13.486 32.019 ( -6.283 -12.244 -1.369) 13.830 32.360 ( 9.385 -0.730 -1.597) 9.548 32.457 ( -4.617 11.538 -6.976) 14.252 36.047 ( -4.599 -6.638 3.647) 8.860======================= Grid point 449 (92/124) =======================q-point: ( 0.20 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.934 ( 4.569 3.365 6.435) 8.579 2.421 ( 2.884 -7.849 3.764) 9.170 2.444 ( 5.621 -2.967 3.311) 7.166 2.752 ( -9.680 3.683 -6.112) 12.026 3.312 ( 5.066 4.467 7.522) 10.110 3.524 ( -2.961 3.902 10.609) 11.685 5.502 ( 0.928 0.384 3.560) 3.699 7.307 ( -0.016 2.276 0.115) 2.279 7.550 ( 4.384 2.190 -0.429) 4.919 15.116 ( 30.570 45.174 3.144) 54.636 16.528 ( -0.090 14.525 6.763) 16.023 17.609 ( 20.076 17.349 8.815) 27.959 18.019 ( 13.320 4.671 -19.325) 23.931 19.087 ( 20.080 16.582 -23.522) 35.092 20.442 ( 4.520 25.040 -7.461) 26.516 20.568 ( 17.009 9.101 8.452) 21.061 21.366 ( 11.624 16.763 9.755) 22.611 23.215 ( 2.097 -12.594 4.981) 13.704 23.820 ( -0.591 13.230 -2.179) 13.421 24.275 ( 7.423 4.490 -2.331) 8.983 25.925 ( -9.270 -12.164 -0.308) 15.296 28.993 ( 2.955 6.037 4.151) 7.900 29.366 ( 10.298 7.280 5.646) 13.818 31.749 ( -4.957 -20.151 -2.442) 20.895 32.359 ( -10.561 11.680 -5.659) 16.733 32.675 ( 13.577 5.881 1.258) 14.849 35.869 ( -7.000 -7.005 2.273) 10.161======================= Grid point 450 (93/124) =======================q-point: ( 0.30 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.088 ( 8.450 0.824 -1.664) 8.652 2.255 ( -8.402 -3.997 -0.251) 9.308 2.565 ( 2.019 -1.942 5.783) 6.425 2.673 ( 0.106 3.460 -3.134) 4.669 3.391 ( -1.022 1.318 5.997) 6.224 3.536 ( 2.297 2.793 10.267) 10.885 5.523 ( 0.769 0.605 3.560) 3.692 7.332 ( -0.404 3.091 0.212) 3.124 7.629 ( 2.948 0.354 0.681) 3.046 16.014 ( 19.632 39.467 3.386) 44.210 16.693 ( -0.365 16.821 3.131) 17.114 17.974 ( 10.615 -1.325 -7.530) 13.082 18.346 ( 10.317 16.864 2.253) 19.898 19.520 ( 18.123 0.056 -17.496) 25.191 20.532 ( -5.119 15.781 1.810) 16.689 21.189 ( 27.651 7.749 7.972) 29.802 21.702 ( 6.283 17.854 19.577) 27.231 23.076 ( -1.712 -14.917 0.081) 15.015 23.900 ( -4.971 11.637 -10.648) 16.538 24.563 ( 18.444 5.806 -5.383) 20.072 25.685 ( -6.534 -9.310 -5.716) 12.730 29.093 ( -0.905 9.334 4.957) 10.607 29.612 ( 9.979 4.246 5.338) 12.088 31.459 ( -0.435 -25.276 -0.948) 25.298 32.291 ( -12.877 16.281 -2.977) 20.970 32.970 ( 12.831 3.823 1.179) 13.440 35.681 ( -5.949 -5.795 0.090) 8.305======================= Grid point 451 (94/124) =======================q-point: ( 0.40 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( -8.464 -2.436 -0.891) 8.852 2.229 ( 4.666 -2.213 -1.598) 5.406 2.526 ( -5.469 4.743 0.286) 7.244 2.774 ( 7.259 -1.384 0.846) 7.438 3.353 ( -3.754 2.668 8.089) 9.308 3.629 ( 5.648 -0.864 6.287) 8.495 5.536 ( -0.083 0.433 3.558) 3.585 7.351 ( -1.303 3.364 0.210) 3.614 7.660 ( 0.911 -1.106 1.786) 2.290 16.601 ( 6.079 31.029 1.447) 31.652 16.804 ( -7.460 16.806 -0.219) 18.388 17.999 ( -3.718 -4.767 -11.737) 13.202 18.625 ( 4.545 7.771 15.556) 17.973 19.717 ( 9.135 -8.401 -14.072) 18.763 20.601 ( -5.126 13.880 1.636) 14.887 21.587 ( 13.321 -2.555 24.061) 27.621 22.004 ( 10.762 13.207 15.771) 23.216 22.858 ( -6.659 -12.662 -5.257) 15.241 23.897 ( -7.281 10.114 -17.441) 21.435 24.961 ( 17.992 2.101 -7.801) 19.723 25.468 ( -6.008 -10.513 -8.240) 14.647 29.142 ( -5.068 10.284 5.940) 12.913 29.773 ( 3.588 1.974 5.052) 6.503 31.257 ( 8.582 -26.141 1.435) 27.551 32.247 ( -12.105 18.707 -1.509) 22.333 33.168 ( 6.561 -0.310 0.559) 6.592 35.567 ( -1.227 -3.048 -1.965) 3.828======================= Grid point 452 (95/124) =======================q-point: (-0.50 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( -5.042 1.734 1.268) 5.480 2.237 ( -0.590 -2.201 1.458) 2.705 2.464 ( -5.573 1.923 -0.479) 5.914 2.876 ( 5.698 -1.888 -0.910) 6.071 3.338 ( -1.388 3.117 7.947) 8.648 3.698 ( 4.025 -2.848 4.553) 6.711 5.528 ( -1.054 0.141 3.770) 3.917 7.354 ( -2.058 3.062 0.155) 3.693 7.642 ( -1.042 -1.875 2.182) 3.060 16.637 ( -21.305 9.162 -7.615) 24.410 16.984 ( -2.250 25.318 8.074) 26.669 17.758 ( -15.133 -5.706 -12.086) 20.190 18.621 ( -6.581 -5.945 19.575) 21.490 19.697 ( -0.294 -9.614 -16.493) 19.093 20.610 ( -8.182 10.331 0.705) 13.198 21.632 ( -1.529 -8.478 29.107) 30.355 22.257 ( 4.890 -5.558 10.447) 12.804 22.630 ( -6.214 1.829 -3.999) 7.613 23.878 ( -4.261 7.867 -18.942) 20.949 24.985 ( -10.119 -12.126 -10.234) 18.819 25.452 ( 11.541 -0.848 -5.589) 12.851 29.121 ( -8.359 9.164 6.407) 13.961 29.757 ( -4.755 -2.742 5.821) 8.000 31.257 ( 17.811 -19.923 2.114) 26.807 32.246 ( -9.924 19.263 -0.754) 21.682 33.179 ( -1.945 -5.396 -1.317) 5.885 35.584 ( 4.804 -0.113 -2.312) 5.333======================= Grid point 453 (96/124) =======================q-point: (-0.40 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.902 ( 0.505 3.090 2.740) 4.161 2.187 ( -5.131 3.806 8.110) 10.324 2.392 ( -2.218 -0.637 -1.904) 2.992 2.927 ( 3.280 -3.593 -2.547) 5.491 3.344 ( -1.342 1.371 7.155) 7.408 3.703 ( 0.264 -4.076 5.236) 6.641 5.506 ( -1.340 0.145 3.997) 4.218 7.342 ( -2.230 2.033 0.035) 3.018 7.590 ( -2.643 -1.577 1.532) 3.438 16.131 ( -41.642 -1.521 -4.849) 41.951 16.969 ( -16.000 2.129 14.224) 21.514 17.568 ( -5.558 11.596 -20.356) 24.078 18.279 ( -19.954 -13.369 17.809) 29.900 19.515 ( -9.635 -9.540 -22.767) 26.498 20.521 ( -12.296 7.832 -0.016) 14.579 21.357 ( -13.081 -19.174 19.150) 30.091 21.917 ( -25.852 -8.438 1.980) 27.267 22.795 ( 11.302 6.898 8.626) 15.803 23.915 ( -0.474 5.851 -12.866) 14.142 24.613 ( -14.804 -11.889 -8.600) 20.844 25.660 ( 11.004 1.564 -2.574) 11.408 29.043 ( -9.313 6.735 6.169) 13.044 29.583 ( -8.819 -5.689 6.752) 12.479 31.450 ( 20.864 -11.131 0.756) 23.659 32.283 ( -7.587 17.718 -0.318) 19.276 33.008 ( -8.196 -9.152 -4.032) 12.931 35.715 ( 8.544 1.196 -0.655) 8.652======================= Grid point 454 (97/124) =======================q-point: (-0.30 0.10 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( -0.134 -1.540 7.948) 8.097 2.185 ( -3.088 11.340 12.480) 17.144 2.399 ( 3.106 1.537 -4.743) 5.875 2.923 ( 1.817 -5.800 -4.227) 7.403 3.300 ( -4.450 -0.594 7.399) 8.655 3.624 ( -3.540 -4.795 7.969) 9.951 5.490 ( -0.756 0.426 3.825) 3.922 7.319 ( -1.642 0.351 -0.126) 1.683 7.519 ( -4.281 -0.208 0.221) 4.292 15.175 ( -55.651 -9.420 0.527) 56.445 16.666 ( -13.860 -4.568 9.121) 17.209 17.615 ( -13.342 0.069 -4.956) 14.233 17.728 ( -20.973 4.844 -1.586) 21.584 19.133 ( -22.451 -10.303 -28.004) 37.342 20.302 ( -23.009 6.180 -1.826) 23.894 20.857 ( -14.750 -21.729 6.606) 27.081 21.365 ( -26.926 -1.900 2.937) 27.152 23.054 ( 9.283 6.985 9.860) 15.237 23.909 ( -5.648 -1.009 -4.229) 7.128 24.289 ( -9.551 -5.545 -4.196) 11.814 25.913 ( 15.663 3.114 1.273) 16.020 28.946 ( -7.498 4.230 5.389) 10.157 29.356 ( -10.777 -4.053 6.313) 13.131 31.735 ( 19.292 -4.184 -1.110) 19.772 32.330 ( -5.716 14.062 -0.300) 15.182 32.733 ( -10.381 -10.744 -6.000) 16.100 35.888 ( 9.367 0.793 1.763) 9.564======================= Grid point 459 (98/124) =======================q-point: ( 0.20 0.20 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.972 ( 4.884 -0.066 0.251) 4.891 2.328 ( 2.738 -0.068 6.120) 6.705 2.378 ( 4.241 -3.399 3.492) 6.460 2.820 ( -6.536 2.794 -5.296) 8.864 3.371 ( 2.936 1.693 6.550) 7.375 3.602 ( -4.500 2.581 7.806) 9.373 5.514 ( 1.063 0.848 3.799) 4.035 7.365 ( 1.217 3.057 0.445) 3.320 7.584 ( 2.248 1.212 0.680) 2.643 16.103 ( 23.582 47.281 0.949) 52.844 16.889 ( 1.974 19.979 7.045) 21.276 17.830 ( 8.156 2.864 -7.764) 11.619 18.203 ( 19.868 13.435 3.100) 24.184 19.360 ( 3.004 10.161 -21.764) 24.207 20.732 ( 13.034 8.236 7.080) 16.966 20.964 ( -0.857 22.391 3.746) 22.719 21.787 ( 7.105 22.257 13.082) 26.776 22.934 ( -0.050 -13.989 5.194) 14.922 24.023 ( 4.835 5.187 -10.773) 12.897 24.425 ( 2.924 11.306 -6.585) 13.406 25.684 ( -5.720 -11.514 -3.497) 13.324 29.165 ( 7.734 10.180 5.114) 13.770 29.506 ( 4.824 6.746 6.817) 10.735 31.326 ( -11.861 -20.601 0.111) 23.772 32.542 ( 4.819 5.109 -2.175) 7.352 32.833 ( 2.955 9.797 -1.766) 10.384 35.716 ( -5.498 -7.591 0.033) 9.373======================= Grid point 460 (99/124) =======================q-point: ( 0.30 0.20 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.061 ( 4.243 -0.391 -2.463) 4.921 2.260 ( -7.557 1.813 2.380) 8.127 2.461 ( 7.611 -7.208 6.469) 12.318 2.797 ( -2.198 7.936 -6.255) 10.342 3.425 ( 0.261 1.570 6.583) 6.773 3.544 ( -0.714 -2.150 7.228) 7.575 5.538 ( 0.547 0.821 3.635) 3.766 7.413 ( -0.340 4.491 0.789) 4.573 7.620 ( 1.731 -1.242 1.398) 2.548 16.861 ( 9.923 37.777 0.659) 39.064 17.130 ( -1.885 26.352 5.279) 26.941 17.929 ( 3.521 -3.767 -6.067) 7.962 18.628 ( 11.243 10.613 4.004) 15.971 19.451 ( 5.780 -6.416 -15.087) 17.384 20.906 ( -6.966 20.309 6.813) 22.525 21.272 ( 18.139 1.688 13.241) 22.521 22.016 ( 0.876 6.697 17.268) 18.542 22.804 ( -0.555 -7.526 -0.712) 7.580 24.139 ( -2.949 10.917 -18.479) 21.664 24.656 ( 14.568 4.239 -7.202) 16.795 25.448 ( -6.519 -14.144 -6.763) 16.979 29.370 ( -2.105 17.480 5.911) 18.572 29.681 ( 9.316 2.640 6.080) 11.433 30.927 ( -4.475 -26.465 2.217) 26.932 32.603 ( -7.066 13.543 -2.363) 15.457 33.014 ( 9.143 0.472 0.146) 9.157 35.565 ( -3.366 -5.267 -1.933) 6.543======================= Grid point 461 (100/124) =======================q-point: ( 0.40 0.20 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( -7.026 3.252 1.920) 7.976 2.206 ( 1.768 0.709 -0.858) 2.089 2.479 ( 3.147 -8.070 4.587) 9.802 2.854 ( -1.935 7.604 -6.215) 10.010 3.405 ( -2.732 1.875 7.800) 8.475 3.565 ( 5.716 -4.760 5.464) 9.230 5.546 ( -0.480 0.512 3.605) 3.672 7.437 ( -2.371 4.561 0.809) 5.204 7.622 ( 0.792 -2.464 1.950) 3.240 17.118 ( -13.780 19.890 -3.801) 24.494 17.385 ( -5.517 32.694 8.757) 34.293 17.874 ( -3.543 -7.886 -7.206) 11.254 18.725 ( -8.432 3.128 7.774) 11.888 19.484 ( 10.157 -13.353 -13.216) 21.357 20.937 ( -11.537 18.241 5.726) 22.330 21.527 ( 6.203 -3.962 22.568) 23.738 22.023 ( 8.641 -10.966 11.221) 17.912 22.762 ( -4.071 3.614 -1.228) 5.580 24.128 ( -10.301 11.829 -20.737) 26.001 24.927 ( 6.946 -5.089 -9.487) 12.812 25.226 ( 4.352 -11.162 -6.570) 13.663 29.435 ( -10.268 17.276 6.630) 21.162 29.800 ( -1.322 0.592 5.569) 5.754 30.726 ( 14.566 -24.437 3.592) 28.674 32.604 ( -9.246 15.547 -1.324) 18.137 33.107 ( 3.582 -5.502 -0.489) 6.584 35.510 ( 1.803 -2.319 -2.987) 4.190======================= Grid point 463 (101/124) =======================q-point: (-0.50 0.20 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.977 ( -4.379 3.981 0.224) 5.922 2.276 ( 1.136 6.188 3.820) 7.360 2.414 ( -1.542 -6.181 3.084) 7.077 2.862 ( -1.052 -0.478 -5.376) 5.499 3.391 ( -1.709 2.143 7.426) 7.916 3.612 ( 4.454 -4.866 5.278) 8.448 5.534 ( -1.272 0.334 3.765) 3.988 7.419 ( -3.581 2.280 0.690) 4.301 7.605 ( -0.440 -1.102 1.704) 2.077 16.861 ( -32.929 9.368 -4.113) 34.482 17.332 ( -22.693 -0.624 14.298) 26.829 17.790 ( -2.345 10.844 -15.166) 18.791 18.498 ( -15.690 -0.782 10.375) 18.826 19.493 ( 2.117 -8.912 -16.217) 18.625 20.873 ( -14.382 14.367 5.314) 21.012 21.357 ( -8.333 -17.093 17.070) 25.554 22.100 ( -0.063 -6.140 11.940) 13.426 22.730 ( 0.373 4.640 2.185) 5.143 24.072 ( -7.880 10.239 -18.080) 22.222 24.715 ( -10.702 -12.328 -9.898) 19.091 25.433 ( 15.587 -0.351 -5.217) 16.441 29.360 ( -15.191 11.722 5.918) 20.080 29.665 ( -7.020 -5.813 6.948) 11.461 30.932 ( 24.968 -9.629 2.377) 26.866 32.594 ( -8.632 13.008 -0.780) 15.631 33.027 ( -4.153 -8.211 -1.981) 9.413 35.576 ( 6.817 -0.632 -2.149) 7.176======================= Grid point 471 (102/124) =======================q-point: ( 0.30 0.30 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.119 ( 5.353 5.786 1.622) 8.047 2.284 ( -5.380 -0.961 0.605) 5.498 2.301 ( 0.173 -6.364 4.326) 7.697 2.952 ( 2.674 5.499 -8.177) 10.210 3.439 ( 2.470 -0.443 7.453) 7.864 3.478 ( -4.664 -2.769 6.814) 8.709 5.553 ( 0.310 0.451 3.573) 3.615 7.501 ( 1.825 3.568 1.315) 4.218 7.582 ( -0.900 -2.140 1.694) 2.873 17.401 ( 11.259 17.334 -2.700) 20.845 17.673 ( 0.806 15.546 5.937) 16.660 17.802 ( 0.884 -6.668 3.482) 7.575 18.838 ( 12.670 11.945 -2.927) 17.657 19.257 ( -10.206 -12.042 -11.424) 19.485 21.291 ( 11.683 0.731 15.806) 19.669 21.344 ( -0.702 20.977 10.434) 23.439 21.848 ( -10.002 -18.168 11.727) 23.825 22.826 ( 2.482 4.313 0.593) 5.012 24.318 ( 5.737 5.860 -23.567) 24.953 24.794 ( 2.846 9.895 -7.111) 12.513 25.117 ( -8.499 -16.670 -6.351) 19.760 29.703 ( 0.843 2.886 7.241) 7.841 29.797 ( 12.411 19.022 5.324) 23.329 30.398 ( -13.999 -23.571 4.244) 27.741 32.823 ( 4.514 7.345 -1.170) 8.700 32.992 ( -1.631 -2.302 -0.801) 2.933 35.482 ( -1.482 -2.341 -3.315) 4.320======================= Grid point 545 (103/124) =======================q-point: ( 0.00 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.311 ( 0.000 0.000 9.191) 9.191 2.311 ( 0.000 -0.000 9.191) 9.191 2.718 ( 0.000 0.000 -5.738) 5.738 2.718 ( 0.000 -0.000 -5.738) 5.738 3.088 ( 0.000 0.000 4.596) 4.596 3.571 ( 0.000 -0.000 3.965) 3.965 5.530 ( 0.000 0.000 0.944) 0.944 7.289 ( 0.000 0.000 -0.146) 0.146 7.289 ( -0.000 -0.000 -0.146) 0.146 13.122 ( 0.000 -0.000 1.036) 1.036 16.621 ( 0.000 0.000 24.233) 24.233 16.621 ( 0.000 -0.000 24.233) 24.233 17.192 ( 0.000 0.000 -30.428) 30.428 17.192 ( 0.000 -0.000 -30.428) 30.428 18.998 ( 0.000 0.000 -3.119) 3.119 20.550 ( 0.000 0.000 -0.707) 0.707 20.550 ( 0.000 -0.000 -0.707) 0.707 23.497 ( -0.000 0.000 2.726) 2.726 23.497 ( 0.000 -0.000 2.726) 2.726 24.203 ( 0.000 -0.000 1.357) 1.357 26.868 ( 0.000 0.000 2.769) 2.769 28.866 ( 0.000 0.000 1.233) 1.233 28.866 ( 0.000 -0.000 1.233) 1.233 32.186 ( 0.000 0.000 -6.789) 6.789 32.256 ( 0.000 0.000 1.079) 1.079 32.256 ( 0.000 -0.000 1.079) 1.079 36.267 ( 0.000 0.000 1.546) 1.546======================= Grid point 546 (104/124) =======================q-point: ( 0.10 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.201 ( -5.416 -3.127 12.551) 14.023 2.397 ( 3.549 2.049 1.510) 4.367 2.662 ( -5.244 -3.028 -8.029) 10.056 2.675 ( -0.873 -0.504 0.090) 1.012 3.191 ( 6.408 3.700 3.997) 8.410 3.601 ( 2.234 1.290 4.216) 4.942 5.531 ( 0.143 0.082 0.993) 1.007 7.283 ( -0.220 -0.127 0.239) 0.349 7.349 ( 4.494 2.595 -0.639) 5.229 13.503 ( 30.494 17.606 1.173) 35.231 16.616 ( 0.091 0.053 22.422) 22.422 16.923 ( 22.344 12.900 23.621) 34.981 17.254 ( 4.169 2.407 -30.230) 30.611 17.455 ( 23.482 13.557 -28.292) 39.187 19.254 ( 20.223 11.676 -3.475) 23.609 20.530 ( 0.401 0.232 3.668) 3.697 20.723 ( 12.735 7.352 -3.253) 15.060 23.492 ( -1.563 -0.902 0.354) 1.839 23.551 ( 5.035 2.907 4.617) 7.424 24.195 ( -0.356 -0.205 1.086) 1.161 26.651 ( -16.525 -9.541 2.371) 19.228 28.894 ( 1.963 1.133 0.475) 2.316 28.996 ( 10.216 5.898 2.015) 11.967 32.135 ( -4.605 -2.659 -6.167) 8.143 32.222 ( -2.611 -1.507 1.552) 3.390 32.338 ( 6.935 4.004 0.311) 8.013 36.207 ( -4.963 -2.865 1.529) 5.931======================= Grid point 547 (105/124) =======================q-point: ( 0.20 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.094 ( -2.940 -1.697 10.000) 10.560 2.452 ( 0.762 0.440 -7.985) 8.033 2.510 ( -7.487 -4.322 -7.698) 11.576 2.694 ( 2.647 1.528 8.111) 8.668 3.337 ( 5.627 3.249 2.952) 7.136 3.654 ( 1.790 1.034 5.761) 6.121 5.539 ( 0.616 0.355 0.970) 1.203 7.284 ( 0.370 0.214 0.329) 0.539 7.475 ( 5.592 3.229 -0.922) 6.523 14.427 ( 44.105 25.464 1.686) 50.956 16.625 ( 1.058 0.611 18.371) 18.412 17.395 ( 7.220 4.168 -27.945) 29.162 17.563 ( 29.923 17.276 21.007) 40.437 18.195 ( 35.284 20.371 -24.483) 47.533 19.837 ( 25.260 14.584 -4.552) 29.521 20.618 ( 9.324 5.383 8.936) 13.992 21.139 ( 21.755 12.560 -1.443) 25.162 23.419 ( -4.700 -2.713 -1.841) 5.730 23.682 ( 4.347 2.510 4.648) 6.841 24.214 ( 2.944 1.700 0.203) 3.406 26.196 ( -19.872 -11.473 0.919) 22.965 28.955 ( 3.062 1.768 0.133) 3.538 29.282 ( 12.916 7.457 2.002) 15.047 31.984 ( -7.648 -4.416 -4.789) 10.047 32.139 ( -4.214 -2.433 1.657) 5.140 32.568 ( 11.942 6.894 -0.094) 13.789 36.043 ( -8.595 -4.963 1.499) 10.038======================= Grid point 548 (106/124) =======================q-point: ( 0.30 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.074 ( 0.737 0.425 1.714) 1.913 2.323 ( -7.518 -4.341 -2.775) 9.114 2.443 ( -1.190 -0.687 -7.999) 8.117 2.780 ( 4.008 2.314 7.591) 8.891 3.438 ( 2.328 1.344 1.298) 2.985 3.687 ( 1.463 0.845 7.253) 7.447 5.558 ( 0.867 0.501 0.925) 1.363 7.298 ( 0.692 0.400 0.196) 0.823 7.596 ( 4.438 2.562 -0.704) 5.173 15.426 ( 37.652 21.739 1.761) 43.513 16.672 ( 2.484 1.434 14.338) 14.622 17.572 ( 7.508 4.335 -24.435) 25.928 18.264 ( 27.935 16.128 20.774) 38.368 18.957 ( 26.937 15.552 -22.462) 38.367 20.253 ( 9.866 5.696 -2.232) 11.609 21.088 ( 28.830 16.645 10.050) 34.774 21.687 ( 22.567 13.029 5.644) 26.663 23.263 ( -8.712 -5.030 -3.934) 10.801 23.689 ( -3.943 -2.277 0.046) 4.553 24.380 ( 11.302 6.525 -0.900) 13.081 25.785 ( -14.177 -8.185 -1.507) 16.439 29.031 ( 3.205 1.851 0.356) 3.718 29.572 ( 11.118 6.419 1.706) 12.951 31.799 ( -7.428 -4.288 -2.851) 9.038 32.034 ( -4.398 -2.539 1.312) 5.245 32.871 ( 12.907 7.452 -0.127) 14.904 35.822 ( -9.526 -5.500 1.181) 11.063======================= Grid point 549 (107/124) =======================q-point: ( 0.40 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.039 ( -4.876 -2.815 -5.971) 8.207 2.244 ( 1.784 1.030 3.112) 3.732 2.406 ( -1.780 -1.028 -3.975) 4.475 2.866 ( 3.058 1.766 4.046) 5.371 3.442 ( -1.328 -0.767 2.193) 2.676 3.737 ( 2.472 1.427 5.054) 5.804 5.576 ( 0.535 0.309 1.028) 1.200 7.312 ( 0.479 0.277 0.050) 0.555 7.677 ( 2.260 1.305 -0.015) 2.609 16.139 ( 22.748 13.133 0.024) 26.267 16.696 ( -1.446 -0.835 7.957) 8.130 17.736 ( 5.406 3.121 -15.189) 16.422 18.824 ( 18.361 10.601 20.870) 29.750 19.419 ( 11.761 6.790 -19.611) 23.854 20.412 ( 4.645 2.682 -0.051) 5.363 21.798 ( 28.800 16.628 9.525) 34.592 22.113 ( 12.512 7.224 14.832) 20.705 22.997 ( -14.050 -8.112 -6.137) 17.346 23.543 ( -6.827 -3.942 -7.892) 11.155 24.720 ( 16.147 9.322 -3.273) 18.930 25.507 ( -10.370 -5.987 -3.104) 12.369 29.095 ( 1.950 1.126 1.103) 2.507 29.786 ( 6.511 3.759 1.687) 7.705 31.654 ( -4.509 -2.603 -0.941) 5.291 31.946 ( -2.725 -1.573 0.574) 3.198 33.137 ( 8.697 5.021 0.170) 10.044 35.624 ( -6.490 -3.747 0.273) 7.499======================= Grid point 550 (108/124) =======================q-point: (-0.50 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( -2.771 -1.600 0.219) 3.208 2.304 ( 1.851 1.069 -2.043) 2.956 2.361 ( -2.052 -1.185 0.663) 2.460 2.919 ( 1.399 0.808 0.649) 1.741 3.416 ( -0.231 -0.134 3.157) 3.169 3.784 ( 1.252 0.723 1.904) 2.391 5.580 ( -0.153 -0.088 1.310) 1.322 7.318 ( 0.028 0.016 -0.027) 0.042 7.700 ( -0.342 -0.197 0.836) 0.925 16.467 ( -1.958 -1.130 -1.384) 2.651 16.659 ( 6.101 3.523 -0.489) 7.062 17.753 ( -5.250 -3.031 -3.043) 6.783 19.097 ( 4.204 2.427 20.328) 20.900 19.503 ( -4.515 -2.607 -16.899) 17.685 20.475 ( 0.409 0.236 -0.522) 0.704 22.273 ( 0.862 0.498 18.332) 18.359 22.399 ( 21.549 12.441 10.181) 26.885 22.586 ( -20.779 -11.997 -8.552) 25.472 23.442 ( -0.386 -0.223 -12.266) 12.274 24.989 ( -0.632 -0.365 -4.078) 4.143 25.328 ( 0.729 0.421 -3.950) 4.039 29.114 ( -0.423 -0.244 2.094) 2.150 29.863 ( -0.207 -0.119 2.044) 2.058 31.599 ( -0.039 -0.023 0.024) 0.051 31.916 ( 0.333 0.192 -0.273) 0.471 33.244 ( -0.198 -0.114 0.589) 0.632 35.547 ( 0.390 0.225 -0.860) 0.971======================= Grid point 552 (109/124) =======================q-point: (-0.40 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.931 ( 2.656 1.533 4.489) 5.436 2.311 ( -2.064 -1.192 5.255) 5.770 2.318 ( -0.285 -0.165 -3.919) 3.933 2.932 ( -0.317 -0.183 -2.347) 2.375 3.429 ( 0.716 0.413 3.299) 3.401 3.792 ( -0.471 -0.272 -0.301) 0.622 5.569 ( -0.752 -0.434 1.663) 1.876 7.314 ( -0.370 -0.214 -0.116) 0.443 7.662 ( -2.735 -1.579 1.361) 3.439 16.151 ( -21.062 -12.160 -2.231) 24.422 16.889 ( 8.933 5.157 -8.225) 13.193 17.483 ( -16.261 -9.388 7.811) 20.336 18.981 ( -15.380 -8.880 22.662) 28.792 19.255 ( -14.435 -8.334 -20.956) 26.776 20.426 ( -4.520 -2.609 -1.405) 5.405 21.994 ( -28.370 -16.379 -9.625) 34.144 22.122 ( -14.221 -8.210 14.702) 22.040 22.837 ( 15.249 8.804 9.482) 19.999 23.548 ( 8.480 4.896 -9.105) 13.371 24.716 ( -15.703 -9.066 -3.086) 18.393 25.517 ( 10.151 5.861 -3.567) 12.252 29.077 ( -2.605 -1.504 2.884) 4.167 29.778 ( -6.732 -3.887 2.546) 8.180 31.651 ( 4.350 2.512 -0.346) 5.035 31.960 ( 3.218 1.858 -0.802) 3.801 33.130 ( -8.820 -5.093 0.432) 10.194 35.638 ( 6.845 3.952 -1.128) 7.983======================= Grid point 553 (110/124) =======================q-point: (-0.30 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.053 ( 7.457 4.305 3.875) 9.442 2.267 ( -1.584 -0.915 9.276) 9.455 2.315 ( 0.406 0.234 -1.998) 2.052 2.906 ( -1.748 -1.009 -4.913) 5.311 3.421 ( -1.811 -1.046 2.999) 3.656 3.763 ( -2.081 -1.201 -0.238) 2.414 5.549 ( -0.834 -0.482 1.782) 2.026 7.303 ( -0.515 -0.297 -0.308) 0.669 7.576 ( -4.478 -2.586 1.257) 5.322 15.458 ( -37.772 -21.808 -1.861) 43.655 17.031 ( -0.155 -0.089 -20.038) 20.039 17.108 ( -10.105 -5.834 20.519) 23.605 18.401 ( -31.186 -18.005 18.861) 40.651 18.835 ( -22.372 -12.916 -22.226) 34.078 20.249 ( -11.451 -6.611 -1.642) 13.324 21.296 ( -28.375 -16.382 -10.384) 34.370 21.629 ( -25.612 -14.787 11.523) 31.740 23.135 ( 10.147 5.858 8.616) 14.544 23.750 ( 6.367 3.676 -5.866) 9.405 24.378 ( -11.740 -6.778 -1.099) 13.600 25.791 ( 14.094 8.137 -1.554) 16.348 29.002 ( -3.417 -1.973 3.156) 5.052 29.564 ( -10.856 -6.268 2.557) 12.794 31.792 ( 7.213 4.165 -1.544) 8.471 32.055 ( 4.520 2.610 -0.781) 5.278 32.865 ( -12.789 -7.384 -0.172) 14.769 35.837 ( 9.295 5.367 -0.323) 10.738======================= Grid point 554 (111/124) =======================q-point: (-0.20 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 306Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.242 ( -0.391 -0.226 11.941) 11.949 2.269 ( 10.152 5.861 -3.500) 12.234 2.339 ( 1.669 0.963 5.473) 5.802 2.853 ( -2.673 -1.543 -6.797) 7.465 3.339 ( -4.975 -2.872 2.649) 6.326 3.692 ( -3.752 -2.166 2.100) 4.814 5.534 ( -0.395 -0.228 1.485) 1.553 7.293 ( -0.281 -0.162 -0.522) 0.615 7.457 ( -5.317 -3.070 0.733) 6.183 14.444 ( -44.918 -25.933 -0.064) 51.866 16.821 ( -7.951 -4.591 17.422) 19.693 17.115 ( 1.370 0.791 -18.925) 18.991 17.607 ( -34.037 -19.651 20.076) 44.133 18.191 ( -30.681 -17.714 -27.591) 44.904 19.821 ( -24.335 -14.050 -2.549) 28.216 20.792 ( -12.956 -7.480 -8.383) 17.149 21.035 ( -22.113 -12.767 8.715) 26.980 23.328 ( 6.382 3.684 7.107) 10.238 23.768 ( -5.054 -2.918 -3.634) 6.874 24.203 ( -2.718 -1.569 0.976) 3.287 26.201 ( 19.863 11.468 0.595) 22.944 28.927 ( -2.791 -1.612 2.860) 4.309 29.285 ( -12.357 -7.134 1.769) 14.378 31.973 ( 7.640 4.411 -3.097) 9.350 32.159 ( 3.988 2.302 -0.305) 4.615 32.564 ( -11.908 -6.875 -0.395) 13.756 36.050 ( 8.231 4.752 0.754) 9.535======================= Grid point 555 (112/124) =======================q-point: (-0.10 0.00 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 305Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.254 ( 1.456 0.841 12.247) 12.362 2.350 ( -0.137 -0.079 3.504) 3.508 2.536 ( 10.738 6.200 -1.254) 12.463 2.785 ( -2.966 -1.712 -7.412) 8.165 3.195 ( -6.741 -3.892 3.595) 8.574 3.607 ( -2.915 -1.683 3.740) 5.032 5.530 ( -0.026 -0.015 1.087) 1.087 7.290 ( 0.016 0.009 -0.506) 0.507 7.340 ( -4.113 -2.375 0.251) 4.756 13.506 ( -30.818 -17.793 0.901) 35.597 16.681 ( -4.168 -2.407 23.291) 23.783 16.899 ( -23.192 -13.390 23.120) 35.379 17.149 ( 1.745 1.008 -27.314) 27.388 17.512 ( -23.657 -13.658 -30.971) 41.297 19.253 ( -20.029 -11.564 -3.309) 23.363 20.614 ( -4.064 -2.346 -4.565) 6.547 20.648 ( -10.233 -5.908 4.091) 12.504 23.444 ( 3.524 2.035 5.078) 6.507 23.600 ( -7.027 -4.057 -0.110) 8.115 24.193 ( 0.594 0.343 1.222) 1.402 26.654 ( 16.318 9.421 2.183) 18.969 28.877 ( -1.329 -0.767 2.133) 2.628 29.007 ( -10.225 -5.903 0.932) 11.843 32.129 ( 4.969 2.869 -5.041) 7.638 32.234 ( 2.156 1.244 0.393) 2.520 32.334 ( -6.975 -4.027 0.228) 8.057 36.208 ( 4.813 2.779 1.405) 5.733======================= Grid point 557 (113/124) =======================q-point: ( 0.10 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.149 ( -6.062 -2.528 11.270) 13.045 2.365 ( 1.573 -5.251 -7.797) 9.531 2.515 ( 7.946 -4.741 8.445) 12.527 2.749 ( -7.035 3.311 -6.536) 10.157 3.302 ( 3.094 5.793 3.036) 7.236 3.656 ( 0.852 3.703 3.973) 5.498 5.534 ( 0.371 0.301 1.177) 1.270 7.292 ( 0.030 0.907 -0.037) 0.909 7.428 ( 3.531 4.735 -0.222) 5.911 14.167 ( 25.063 44.416 0.950) 51.008 16.713 ( -2.874 8.167 19.355) 21.203 17.239 ( 10.303 3.290 -18.659) 21.567 17.389 ( 17.856 26.564 15.961) 35.766 17.954 ( 15.478 30.082 -28.245) 44.071 19.693 ( 17.425 29.070 -3.427) 34.065 20.601 ( -2.709 6.252 1.988) 7.097 20.986 ( 15.010 19.251 0.550) 24.417 23.395 ( -0.286 -6.793 3.618) 7.702 23.704 ( 1.537 8.901 0.222) 9.035 24.191 ( 0.575 0.250 0.756) 0.982 26.324 ( -11.930 -20.219 1.256) 23.510 28.936 ( 3.272 3.345 1.473) 4.905 29.193 ( 6.439 11.790 1.760) 13.549 31.958 ( -6.589 -11.688 -2.809) 13.708 32.293 ( 1.184 3.517 -1.535) 4.016 32.440 ( 5.121 8.049 0.542) 9.555 36.097 ( -4.648 -7.589 1.253) 8.987======================= Grid point 558 (114/124) =======================q-point: ( 0.20 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( -1.110 -3.565 4.219) 5.634 2.333 ( -0.152 -3.016 -4.101) 5.093 2.593 ( -5.414 4.789 -5.029) 8.806 2.668 ( 3.899 -3.613 6.337) 8.271 3.406 ( 3.299 3.078 2.055) 4.958 3.692 ( -0.311 2.146 5.335) 5.759 5.550 ( 0.768 0.681 1.111) 1.512 7.311 ( 0.088 2.363 0.234) 2.377 7.541 ( 4.383 3.030 -0.514) 5.353 15.160 ( 31.526 44.117 1.347) 54.240 16.764 ( -2.679 11.934 15.247) 19.547 17.465 ( 9.676 4.594 -20.888) 23.474 18.030 ( 22.303 24.677 18.996) 38.305 18.585 ( 25.878 16.675 -24.440) 39.307 20.305 ( 8.835 29.453 -4.655) 31.100 20.740 ( 17.847 5.688 7.508) 20.180 21.524 ( 18.667 24.385 4.011) 30.970 23.275 ( -3.478 -10.386 0.437) 10.961 23.784 ( -2.658 5.345 -0.559) 5.995 24.255 ( 6.435 2.406 -0.244) 6.875 25.908 ( -12.641 -15.203 -0.724) 19.785 29.044 ( 2.430 7.181 0.842) 7.627 29.446 ( 9.947 7.947 2.037) 12.894 31.699 ( -4.993 -17.685 -1.586) 18.444 32.297 ( -8.384 11.431 -0.875) 14.203 32.690 ( 13.613 5.474 0.028) 14.672 35.903 ( -7.455 -8.355 1.059) 11.248======================= Grid point 559 (115/124) =======================q-point: ( 0.30 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.029 ( 1.833 -3.388 -3.529) 5.225 2.280 ( -4.811 0.764 2.169) 5.332 2.514 ( -5.731 6.032 -6.435) 10.518 2.748 ( 7.227 -5.158 6.168) 10.811 3.467 ( 0.295 1.855 1.438) 2.366 3.702 ( 0.943 -0.277 5.667) 5.751 5.571 ( 0.656 0.780 1.067) 1.476 7.337 ( -0.608 3.393 0.225) 3.455 7.635 ( 3.561 1.069 -0.238) 3.726 16.050 ( 18.943 37.870 0.612) 42.348 16.848 ( -4.672 15.071 11.776) 19.688 17.662 ( 7.087 5.062 -17.924) 19.928 18.618 ( 19.029 15.997 19.151) 31.381 19.132 ( 22.753 2.953 -20.467) 30.746 20.530 ( -4.678 19.090 -1.046) 19.682 21.337 ( 32.789 7.756 7.205) 34.456 22.059 ( 12.945 21.171 11.700) 27.435 23.061 ( -6.808 -13.063 -1.975) 14.863 23.703 ( -9.734 2.446 -7.154) 12.325 24.489 ( 15.746 3.871 -1.737) 16.308 25.589 ( -8.951 -10.891 -2.707) 14.355 29.154 ( -0.596 10.406 1.062) 10.477 29.688 ( 9.353 4.782 1.871) 10.670 31.444 ( 0.159 -22.455 -0.307) 22.457 32.256 ( -11.356 15.598 -0.459) 19.300 32.984 ( 13.025 3.588 -0.011) 13.510 35.688 ( -6.952 -7.310 0.499) 10.100======================= Grid point 560 (116/124) =======================q-point: ( 0.40 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( -3.664 0.896 -2.642) 4.605 2.220 ( 0.417 -2.483 0.709) 2.616 2.509 ( -5.002 8.665 -1.722) 10.153 2.807 ( 6.611 -6.882 2.114) 9.774 3.462 ( -2.455 2.512 2.544) 4.337 3.728 ( 3.312 -2.508 3.266) 5.285 5.585 ( 0.019 0.555 1.183) 1.306 7.355 ( -1.582 3.704 0.128) 4.029 7.683 ( 1.610 -0.684 0.452) 1.806 16.583 ( 2.886 27.733 -1.835) 27.943 16.861 ( -11.707 17.388 4.958) 21.540 17.791 ( 0.873 2.365 -8.054) 8.439 18.988 ( 10.141 4.141 18.648) 21.627 19.410 ( 9.797 -6.088 -16.459) 20.098 20.610 ( -6.229 15.282 -0.170) 16.504 21.910 ( 25.747 -1.724 9.227) 27.405 22.359 ( 3.894 6.438 13.185) 15.181 22.800 ( -10.202 -4.419 -0.077) 11.118 23.553 ( -9.163 4.114 -14.168) 17.367 24.831 ( 16.297 1.086 -3.887) 16.790 25.337 ( -6.402 -10.366 -3.554) 12.691 29.221 ( -4.614 11.163 1.798) 12.212 29.847 ( 3.602 2.360 1.907) 4.710 31.276 ( 8.697 -24.139 0.520) 25.663 32.225 ( -11.404 18.247 -0.448) 21.522 33.182 ( 6.515 -0.746 0.330) 6.566 35.541 ( -2.074 -4.105 -0.493) 4.626======================= Grid point 561 (117/124) =======================q-point: (-0.50 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.949 ( -3.184 2.293 2.432) 4.617 2.242 ( 3.414 -0.786 -0.854) 3.606 2.473 ( -7.519 5.783 1.382) 9.586 2.848 ( 5.399 -6.279 -1.780) 8.470 3.454 ( -1.510 2.808 3.244) 4.549 3.754 ( 2.769 -3.212 0.785) 4.313 5.582 ( -0.747 0.209 1.447) 1.641 7.356 ( -2.334 3.322 0.013) 4.060 7.677 ( -0.804 -1.942 1.097) 2.371 16.559 ( -23.789 10.698 -0.435) 26.087 16.993 ( -1.928 25.554 -6.187) 26.363 17.669 ( -13.213 -5.331 3.037) 14.568 19.033 ( -2.911 -9.309 19.886) 22.149 19.359 ( -5.640 -9.422 -17.031) 20.264 20.611 ( -9.803 12.407 -0.271) 15.815 21.991 ( -6.190 -22.427 3.694) 23.557 22.397 ( -0.991 -3.792 5.594) 6.830 22.729 ( -0.267 12.193 9.646) 15.549 23.524 ( 0.456 7.558 -12.750) 14.829 24.831 ( -9.173 -12.614 -4.124) 16.133 25.344 ( 12.605 0.121 -3.848) 13.180 29.214 ( -8.090 9.408 2.538) 12.665 29.843 ( -4.181 -2.102 2.371) 5.246 31.279 ( 16.702 -19.393 0.315) 25.596 32.229 ( -9.747 19.053 -0.706) 21.413 33.178 ( -2.918 -6.137 0.513) 6.815 35.548 ( 5.201 -0.119 -1.148) 5.327======================= Grid point 562 (118/124) =======================q-point: (-0.40 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( 3.033 0.489 3.109) 4.371 2.314 ( 2.066 4.433 0.898) 4.973 2.383 ( -6.771 3.586 4.377) 8.824 2.857 ( 2.688 -6.314 -4.412) 8.158 3.449 ( -1.775 0.907 3.132) 3.712 3.759 ( 0.870 -2.390 0.051) 2.544 5.565 ( -1.171 0.004 1.658) 2.030 7.341 ( -2.543 2.285 -0.124) 3.421 7.619 ( -3.040 -2.255 1.195) 3.970 16.063 ( -40.471 1.937 -1.470) 40.543 17.159 ( -6.147 14.294 -18.306) 24.025 17.303 ( -16.047 -3.503 17.235) 23.808 18.686 ( -20.008 -16.909 21.135) 33.659 19.059 ( -16.390 -10.236 -21.786) 29.121 20.519 ( -14.479 11.362 -0.038) 18.405 21.464 ( -20.010 -27.809 -4.124) 34.508 22.085 ( -28.256 -1.191 8.529) 29.539 22.970 ( 13.363 4.022 7.270) 15.736 23.693 ( 6.556 8.480 -6.872) 12.732 24.498 ( -11.674 -10.998 -2.812) 16.284 25.594 ( 13.863 2.013 -2.779) 14.282 29.136 ( -9.292 6.162 2.847) 11.507 29.680 ( -8.849 -5.457 2.655) 10.730 31.448 ( 19.201 -11.299 -0.512) 22.285 32.264 ( -7.538 17.388 -1.033) 18.979 32.977 ( -9.627 -9.398 0.157) 13.455 35.700 ( 9.987 1.953 -0.715) 10.201======================= Grid point 563 (119/124) =======================q-point: (-0.30 0.10 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.058 ( 7.792 -1.542 3.924) 8.859 2.308 ( -1.753 1.107 -1.932) 2.834 2.423 ( -0.853 11.096 9.577) 14.682 2.816 ( 0.982 -7.613 -6.400) 9.994 3.401 ( -3.846 -0.703 2.595) 4.693 3.728 ( -2.058 -1.893 1.865) 3.361 5.545 ( -0.970 0.067 1.536) 1.817 7.316 ( -1.975 0.804 -0.210) 2.143 7.529 ( -4.887 -1.326 0.626) 5.102 15.175 ( -54.033 -6.607 -0.316) 54.437 16.925 ( -10.707 -7.038 11.143) 16.980 17.261 ( -7.713 13.994 -13.336) 20.813 18.051 ( -32.459 -12.053 20.742) 40.362 18.569 ( -26.625 -10.140 -25.955) 38.540 20.268 ( -28.313 6.972 -0.695) 29.167 20.858 ( -14.201 -20.499 -3.954) 25.249 21.498 ( -33.010 -1.392 6.113) 33.600 23.219 ( 10.299 3.043 5.844) 12.226 23.819 ( -0.926 1.903 -3.833) 4.378 24.252 ( -6.040 -4.199 -0.164) 7.358 25.911 ( 19.558 3.119 -0.772) 19.820 29.027 ( -7.703 2.852 2.503) 8.587 29.444 ( -11.634 -4.346 2.261) 12.624 31.700 ( 17.617 -4.487 -1.490) 18.240 32.305 ( -5.561 12.396 -1.332) 13.651 32.686 ( -11.495 -8.881 -0.061) 14.526 35.910 ( 10.873 1.633 0.367) 11.001======================= Grid point 568 (120/124) =======================q-point: ( 0.20 0.20 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( 0.414 -2.358 -0.072) 2.395 2.352 ( -0.117 2.922 0.107) 2.926 2.539 ( 8.735 -6.151 8.312) 13.536 2.696 ( -8.407 3.388 -6.824) 11.346 3.462 ( 2.056 2.377 2.279) 3.882 3.714 ( -2.282 -0.428 2.872) 3.693 5.567 ( 0.785 0.998 1.367) 1.865 7.371 ( 1.622 3.206 0.183) 3.598 7.595 ( 1.894 2.222 0.316) 2.937 16.111 ( 25.573 44.894 0.234) 51.667 17.064 ( -0.632 16.812 7.659) 18.485 17.571 ( 13.584 4.454 -11.032) 18.057 18.480 ( 12.187 18.442 19.388) 29.402 18.913 ( 8.304 15.639 -22.068) 28.294 20.851 ( 21.541 5.350 4.396) 22.626 20.935 ( -4.480 29.898 -3.531) 30.437 22.062 ( 13.734 25.352 9.376) 30.319 23.026 ( -4.961 -12.868 3.018) 14.118 23.821 ( -0.503 -2.772 -6.919) 7.471 24.346 ( 3.528 7.670 -1.571) 8.587 25.612 ( -7.964 -13.589 -2.504) 15.949 29.238 ( 7.076 11.023 1.884) 13.234 29.602 ( 4.533 7.485 2.472) 9.093 31.321 ( -11.003 -18.712 -0.311) 21.710 32.499 ( 3.492 6.810 -1.273) 7.758 32.827 ( 5.379 8.619 0.235) 10.162 35.716 ( -5.855 -9.406 0.013) 11.080======================= Grid point 569 (121/124) =======================q-point: ( 0.30 0.20 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 3.349 2.593 -2.002) 4.685 2.301 ( -7.978 0.746 1.602) 8.171 2.590 ( 6.606 -9.572 4.807) 12.585 2.666 ( -1.882 8.205 -5.101) 9.843 3.512 ( 0.464 2.224 1.866) 2.940 3.658 ( -0.550 -3.855 3.568) 5.281 5.589 ( 0.409 0.857 1.239) 1.561 7.426 ( -0.439 4.888 0.394) 4.923 7.638 ( 2.016 -0.722 0.346) 2.169 16.862 ( 8.572 36.972 -0.589) 37.958 17.232 ( -3.189 20.878 5.334) 21.783 17.786 ( 4.292 7.255 -6.494) 10.641 18.843 ( 13.206 5.272 14.035) 19.979 19.144 ( 8.726 -1.172 -15.165) 17.536 20.972 ( -10.413 23.560 0.315) 25.760 21.432 ( 27.026 2.073 4.618) 27.496 22.347 ( -0.321 -1.900 9.937) 10.123 22.881 ( -1.008 2.578 7.470) 7.967 23.757 ( -5.961 2.665 -16.236) 17.500 24.555 ( 13.107 3.582 -2.307) 13.782 25.332 ( -7.769 -14.413 -3.455) 16.734 29.451 ( -1.505 18.175 1.934) 18.339 29.769 ( 8.075 3.160 2.262) 8.961 30.957 ( -3.604 -24.653 0.853) 24.929 32.570 ( -6.555 14.148 -0.709) 15.608 33.020 ( 9.465 -0.051 0.093) 9.466 35.539 ( -3.960 -6.726 -0.557) 7.825======================= Grid point 570 (122/124) =======================q-point: ( 0.40 0.20 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 552Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.082 ( -5.846 5.362 0.810) 7.974 2.191 ( 1.354 0.984 -0.519) 1.752 2.582 ( 2.690 -8.928 5.141) 10.648 2.726 ( -0.846 6.000 -5.874) 8.439 3.516 ( -1.953 2.106 2.858) 4.051 3.645 ( 3.959 -4.837 2.092) 6.591 5.596 ( -0.360 0.511 1.277) 1.422 7.449 ( -2.769 4.976 0.309) 5.703 7.650 ( 1.173 -2.453 0.751) 2.820 17.101 ( -15.362 21.221 1.314) 26.231 17.380 ( -6.222 26.146 -5.456) 27.424 17.842 ( -7.592 4.211 2.360) 8.997 18.964 ( 0.077 -6.066 13.452) 14.757 19.230 ( 8.091 -9.979 -12.352) 17.822 20.997 ( -13.123 21.638 0.860) 25.320 21.809 ( 9.374 -8.886 5.586) 14.073 22.175 ( 6.063 -14.999 3.368) 16.525 22.951 ( -4.644 10.713 16.017) 19.822 23.685 ( -7.373 8.096 -19.998) 22.800 24.776 ( 4.084 -5.475 -4.243) 8.041 25.116 ( 5.448 -9.695 -3.317) 11.605 29.529 ( -10.362 17.668 2.390) 20.621 29.883 ( -0.827 0.975 2.212) 2.555 30.775 ( 13.760 -23.451 1.223) 27.217 32.582 ( -9.030 15.854 -0.608) 18.256 33.109 ( 3.398 -6.168 0.227) 7.045 35.467 ( 1.841 -2.864 -1.125) 3.585======================= Grid point 572 (123/124) =======================q-point: (-0.50 0.20 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.985 ( -4.729 1.128 0.766) 4.921 2.318 ( 4.027 6.701 0.287) 7.823 2.512 ( -2.782 -2.551 6.199) 7.257 2.741 ( 0.758 -2.959 -6.311) 7.012 3.499 ( -2.190 1.413 3.097) 4.048 3.681 ( 4.317 -3.079 1.260) 5.450 5.587 ( -1.051 0.215 1.399) 1.763 7.428 ( -3.954 2.722 0.173) 4.803 7.632 ( -0.637 -1.718 0.889) 2.037 16.833 ( -34.267 12.384 1.125) 36.453 17.415 ( -12.681 -0.931 -11.654) 17.248 17.640 ( -15.137 13.283 7.719) 21.568 18.793 ( -9.044 -8.912 16.284) 20.649 19.174 ( -5.214 -7.583 -15.301) 17.855 20.950 ( -15.730 19.501 2.249) 25.155 21.492 ( -13.740 -24.551 -0.616) 28.142 22.349 ( 4.863 -1.155 8.562) 9.914 22.882 ( -5.390 2.923 9.456) 11.270 23.714 ( 0.803 9.037 -13.384) 16.170 24.571 ( -9.536 -10.077 -3.967) 14.430 25.333 ( 16.534 -0.625 -3.382) 16.888 29.446 ( -15.361 10.809 2.382) 18.933 29.765 ( -6.788 -5.137 2.690) 8.927 30.961 ( 23.191 -9.442 0.546) 25.045 32.573 ( -8.830 12.605 -0.875) 15.415 33.016 ( -4.824 -8.035 0.261) 9.375 35.543 ( 8.023 -0.296 -0.961) 8.086======================= Grid point 580 (124/124) =======================q-point: ( 0.30 0.30 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.24e-05 6.24e-05 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 550Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( 5.561 8.363 0.105) 10.043 2.292 ( -2.789 -3.374 0.185) 4.382 2.398 ( -3.334 -6.855 3.670) 8.460 2.810 ( 2.269 4.509 -4.684) 6.886 3.544 ( 1.351 0.560 2.686) 3.059 3.576 ( -2.779 -2.837 2.541) 4.714 5.602 ( 0.245 0.395 1.257) 1.340 7.520 ( 2.096 3.794 0.501) 4.363 7.607 ( -1.063 -2.071 0.651) 2.418 17.392 ( 10.296 14.392 1.595) 17.768 17.561 ( -0.215 5.663 -7.105) 9.089 17.997 ( 7.333 11.680 6.856) 15.401 18.890 ( 5.901 2.388 5.641) 8.506 19.070 ( -7.034 -6.149 -7.321) 11.869 21.449 ( 19.200 0.576 2.463) 19.366 21.476 ( -6.173 24.212 2.374) 25.100 22.021 ( -11.871 -22.450 4.289) 25.755 23.061 ( 3.287 6.919 18.319) 19.856 23.810 ( 2.495 2.267 -23.245) 23.488 24.685 ( 4.906 9.596 -3.027) 11.194 25.009 ( -8.892 -15.719 -3.247) 18.349 29.807 ( 1.208 2.584 2.734) 3.951 29.874 ( 11.596 19.235 2.011) 22.550 30.458 ( -13.156 -22.524 1.539) 26.130 32.805 ( 4.522 8.010 -0.480) 9.210 32.986 ( -1.502 -2.803 -0.008) 3.180 35.435 ( -1.719 -2.886 -1.236) 3.579=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29700 10.0 1302.452 1302.452 1242.252 -0.000 -0.000 0.000 3/29700 20.0 246.217 246.217 237.618 -0.000 -0.000 0.000 3/29700 30.0 120.705 120.705 114.709 -0.000 -0.000 0.000 3/29700 40.0 85.918 85.918 82.344 -0.000 -0.000 0.000 3/29700 50.0 66.655 66.655 64.504 -0.000 -0.000 0.000 3/29700 60.0 53.733 53.733 52.521 -0.000 -0.000 0.000 3/29700 70.0 44.593 44.593 44.052 -0.000 -0.000 0.000 3/29700 80.0 37.793 37.793 37.772 -0.000 -0.000 0.000 3/29700 90.0 32.459 32.459 32.876 -0.000 -0.000 0.000 3/29700 100.0 28.091 28.091 28.889 -0.000 -0.000 0.000 3/29700 110.0 24.418 24.418 25.539 -0.000 -0.000 0.000 3/29700 120.0 21.296 21.296 22.676 -0.000 -0.000 0.000 3/29700 130.0 18.637 18.637 20.211 -0.000 -0.000 0.000 3/29700 140.0 16.379 16.379 18.084 -0.000 -0.000 0.000 3/29700 150.0 14.467 14.467 16.248 -0.000 -0.000 0.000 3/29700 160.0 12.850 12.850 14.664 -0.000 -0.000 0.000 3/29700 170.0 11.482 11.482 13.296 -0.000 -0.000 0.000 3/29700 180.0 10.322 10.322 12.112 -0.000 -0.000 0.000 3/29700 190.0 9.335 9.335 11.085 -0.000 -0.000 0.000 3/29700 200.0 8.492 8.492 10.191 -0.000 -0.000 0.000 3/29700 210.0 7.769 7.769 9.410 -0.000 -0.000 0.000 3/29700 220.0 7.144 7.144 8.725 -0.000 -0.000 0.000 3/29700 230.0 6.601 6.601 8.121 -0.000 -0.000 0.000 3/29700 240.0 6.128 6.128 7.587 -0.000 -0.000 0.000 3/29700 250.0 5.712 5.712 7.111 -0.000 -0.000 0.000 3/29700 260.0 5.346 5.346 6.687 -0.000 -0.000 0.000 3/29700 270.0 5.020 5.020 6.307 -0.000 -0.000 0.000 3/29700 280.0 4.730 4.730 5.965 -0.000 -0.000 0.000 3/29700 290.0 4.471 4.471 5.656 -0.000 -0.000 0.000 3/29700 300.0 4.237 4.237 5.376 -0.000 -0.000 0.000 3/29700 310.0 4.026 4.026 5.120 -0.000 -0.000 0.000 3/29700 320.0 3.835 3.835 4.888 -0.000 -0.000 0.000 3/29700 330.0 3.661 3.661 4.674 -0.000 -0.000 0.000 3/29700 340.0 3.502 3.502 4.478 -0.000 -0.000 0.000 3/29700 350.0 3.356 3.356 4.298 -0.000 -0.000 0.000 3/29700 360.0 3.222 3.222 4.131 -0.000 -0.000 0.000 3/29700 370.0 3.098 3.098 3.977 -0.000 -0.000 0.000 3/29700 380.0 2.984 2.984 3.833 -0.000 -0.000 0.000 3/29700 390.0 2.877 2.877 3.700 -0.000 -0.000 0.000 3/29700 400.0 2.779 2.779 3.575 -0.000 -0.000 0.000 3/29700 410.0 2.687 2.687 3.459 -0.000 -0.000 0.000 3/29700 420.0 2.601 2.601 3.350 -0.000 -0.000 0.000 3/29700 430.0 2.521 2.521 3.248 -0.000 -0.000 0.000 3/29700 440.0 2.445 2.445 3.151 -0.000 -0.000 0.000 3/29700 450.0 2.374 2.374 3.061 -0.000 -0.000 0.000 3/29700 460.0 2.307 2.307 2.976 -0.000 -0.000 0.000 3/29700 470.0 2.244 2.244 2.895 -0.000 -0.000 0.000 3/29700 480.0 2.185 2.185 2.819 -0.000 -0.000 0.000 3/29700 490.0 2.129 2.129 2.746 -0.000 -0.000 0.000 3/29700 500.0 2.075 2.075 2.678 -0.000 -0.000 0.000 3/29700 510.0 2.025 2.025 2.613 -0.000 -0.000 0.000 3/29700 520.0 1.977 1.977 2.551 -0.000 -0.000 0.000 3/29700 530.0 1.931 1.931 2.492 -0.000 -0.000 0.000 3/29700 540.0 1.887 1.887 2.435 -0.000 -0.000 0.000 3/29700 550.0 1.846 1.846 2.382 -0.000 -0.000 0.000 3/29700 560.0 1.806 1.806 2.330 -0.000 -0.000 0.000 3/29700 570.0 1.768 1.768 2.281 -0.000 -0.000 0.000 3/29700 580.0 1.732 1.732 2.234 -0.000 -0.000 0.000 3/29700 590.0 1.697 1.697 2.189 -0.000 -0.000 0.000 3/29700 600.0 1.663 1.663 2.146 -0.000 -0.000 0.000 3/29700 610.0 1.631 1.631 2.104 -0.000 -0.000 0.000 3/29700 620.0 1.600 1.600 2.065 -0.000 -0.000 0.000 3/29700 630.0 1.571 1.571 2.026 -0.000 -0.000 0.000 3/29700 640.0 1.542 1.542 1.989 -0.000 -0.000 0.000 3/29700 650.0 1.515 1.515 1.954 -0.000 -0.000 0.000 3/29700 660.0 1.489 1.489 1.920 -0.000 -0.000 0.000 3/29700 670.0 1.463 1.463 1.887 -0.000 -0.000 0.000 3/29700 680.0 1.439 1.439 1.855 -0.000 -0.000 0.000 3/29700 690.0 1.415 1.415 1.824 -0.000 -0.000 0.000 3/29700 700.0 1.392 1.392 1.794 -0.000 -0.000 0.000 3/29700 710.0 1.370 1.370 1.766 -0.000 -0.000 0.000 3/29700 720.0 1.348 1.348 1.738 -0.000 -0.000 0.000 3/29700 730.0 1.328 1.328 1.711 -0.000 -0.000 0.000 3/29700 740.0 1.307 1.307 1.685 -0.000 -0.000 0.000 3/29700 750.0 1.288 1.288 1.659 -0.000 -0.000 0.000 3/29700 760.0 1.269 1.269 1.635 -0.000 -0.000 0.000 3/29700 770.0 1.251 1.251 1.611 -0.000 -0.000 0.000 3/29700 780.0 1.233 1.233 1.588 -0.000 -0.000 0.000 3/29700 790.0 1.216 1.216 1.566 -0.000 -0.000 0.000 3/29700 800.0 1.199 1.199 1.544 -0.000 -0.000 0.000 3/29700 810.0 1.183 1.183 1.523 -0.000 -0.000 0.000 3/29700 820.0 1.167 1.167 1.502 -0.000 -0.000 0.000 3/29700 830.0 1.151 1.151 1.482 -0.000 -0.000 0.000 3/29700 840.0 1.136 1.136 1.463 -0.000 -0.000 0.000 3/29700 850.0 1.122 1.122 1.444 -0.000 -0.000 0.000 3/29700 860.0 1.108 1.108 1.426 -0.000 -0.000 0.000 3/29700 870.0 1.094 1.094 1.408 -0.000 -0.000 0.000 3/29700 880.0 1.080 1.080 1.390 -0.000 -0.000 0.000 3/29700 890.0 1.067 1.067 1.373 -0.000 -0.000 0.000 3/29700 900.0 1.054 1.054 1.357 -0.000 -0.000 0.000 3/29700 910.0 1.042 1.042 1.340 -0.000 -0.000 0.000 3/29700 920.0 1.030 1.030 1.325 -0.000 -0.000 0.000 3/29700 930.0 1.018 1.018 1.309 -0.000 -0.000 0.000 3/29700 940.0 1.006 1.006 1.294 -0.000 -0.000 0.000 3/29700 950.0 0.995 0.995 1.279 -0.000 -0.000 0.000 3/29700 960.0 0.983 0.983 1.265 -0.000 -0.000 0.000 3/29700 970.0 0.973 0.973 1.251 -0.000 -0.000 0.000 3/29700 980.0 0.962 0.962 1.237 -0.000 -0.000 0.000 3/29700 990.0 0.952 0.952 1.224 -0.000 -0.000 0.000 3/29700 1000.0 0.941 0.941 1.211 -0.000 -0.000 0.000 3/29700Thermal conductivity related properties were written into "kappa-m101011.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:11:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|