# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/8b0fa2cd-c3d6-4c72-8bef-ed9f994addf0/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 GaBr2 / Pnna (52) / materials id 28384](https://mdr.nims.go.jp/datasets/eae45f6c-2dd1-488d-95e1-67a6256855de) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 07:08:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnna (52)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 7.418298370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.783797000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.929662240000001Atomic positions (fractional): *1 Ga 0.75000000000000 0.00000000000000 0.67932856375819 69.723 2 Ga 0.75000000000000 0.50000000000000 0.82067143624181 69.723 3 Ga 0.25000000000000 0.00000000000000 0.32067143624181 69.723 4 Ga 0.25000000000000 0.50000000000000 0.17932856375819 69.723 *5 Ga 0.14477656267587 0.25000000000000 0.75000000000000 69.723 6 Ga 0.35522343732413 0.75000000000000 0.75000000000000 69.723 7 Ga 0.85522343732413 0.75000000000000 0.25000000000000 69.723 8 Ga 0.64477656267587 0.25000000000000 0.25000000000000 69.723 *9 Br 0.83624352640309 0.18838267326540 0.54853973111104 79.904 10 Br 0.83624352640309 0.31161732673461 0.95146026888896 79.904 11 Br 0.66375647359691 0.68838267326540 0.95146026888896 79.904 12 Br 0.66375647359691 0.81161732673460 0.54853973111104 79.904 13 Br 0.16375647359691 0.81161732673460 0.45146026888896 79.904 14 Br 0.16375647359691 0.68838267326540 0.04853973111104 79.904 15 Br 0.33624352640309 0.31161732673461 0.04853973111104 79.904 16 Br 0.33624352640309 0.18838267326540 0.45146026888896 79.904 *17 Br 0.49685267599375 0.04398109200256 0.81419539546854 79.904 18 Br 0.49685267599375 0.45601890799744 0.68580460453146 79.904 19 Br 0.00314732400625 0.54398109200256 0.68580460453146 79.904 20 Br 0.00314732400625 0.95601890799744 0.81419539546854 79.904 21 Br 0.50314732400625 0.95601890799744 0.18580460453146 79.904 22 Br 0.50314732400625 0.54398109200256 0.31419539546854 79.904 23 Br 0.99685267599375 0.45601890799744 0.31419539546854 79.904 24 Br 0.99685267599375 0.04398109200256 0.18580460453146 79.904-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.418298370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.783797000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.929662240000001Atomic positions (fractional): *1 Ga 0.75000000000000 0.00000000000000 0.67932856375819 69.723 > 1 2 Ga 0.75000000000000 0.50000000000000 0.82067143624181 69.723 > 2 3 Ga 0.25000000000000 0.00000000000000 0.32067143624181 69.723 > 3 4 Ga 0.25000000000000 0.50000000000000 0.17932856375819 69.723 > 4 *5 Ga 0.14477656267587 0.25000000000000 0.75000000000000 69.723 > 5 6 Ga 0.35522343732413 0.75000000000000 0.75000000000000 69.723 > 6 7 Ga 0.85522343732413 0.75000000000000 0.25000000000000 69.723 > 7 8 Ga 0.64477656267587 0.25000000000000 0.25000000000000 69.723 > 8 *9 Br 0.83624352640309 0.18838267326540 0.54853973111104 79.904 > 9 10 Br 0.83624352640309 0.31161732673461 0.95146026888896 79.904 > 10 11 Br 0.66375647359691 0.68838267326540 0.95146026888896 79.904 > 11 12 Br 0.66375647359691 0.81161732673460 0.54853973111104 79.904 > 12 13 Br 0.16375647359691 0.81161732673460 0.45146026888896 79.904 > 13 14 Br 0.16375647359691 0.68838267326540 0.04853973111104 79.904 > 14 15 Br 0.33624352640309 0.31161732673461 0.04853973111104 79.904 > 15 16 Br 0.33624352640309 0.18838267326540 0.45146026888896 79.904 > 16 *17 Br 0.49685267599375 0.04398109200256 0.81419539546854 79.904 > 17 18 Br 0.49685267599375 0.45601890799744 0.68580460453146 79.904 > 18 19 Br 0.00314732400625 0.54398109200256 0.68580460453146 79.904 > 19 20 Br 0.00314732400625 0.95601890799744 0.81419539546854 79.904 > 20 21 Br 0.50314732400625 0.95601890799744 0.18580460453146 79.904 > 21 22 Br 0.50314732400625 0.54398109200256 0.31419539546854 79.904 > 22 23 Br 0.99685267599375 0.45601890799744 0.31419539546854 79.904 > 23 24 Br 0.99685267599375 0.04398109200256 0.18580460453146 79.904 > 24-------------------------------- super cell --------------------------------Lattice vectors: a 14.836596739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 19.567594000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.929662240000001Atomic positions (fractional): *1 Ga 0.37500000000000 0.00000000000000 0.67932856375819 69.723 > 1 2 Ga 0.87500000000000 0.00000000000000 0.67932856375819 69.723 > 1 3 Ga 0.37500000000000 0.50000000000000 0.67932856375819 69.723 > 1 4 Ga 0.87500000000000 0.50000000000000 0.67932856375819 69.723 > 1 5 Ga 0.37500000000000 0.25000000000000 0.82067143624181 69.723 > 2 6 Ga 0.87500000000000 0.25000000000000 0.82067143624181 69.723 > 2 7 Ga 0.37500000000000 0.75000000000000 0.82067143624181 69.723 > 2 8 Ga 0.87500000000000 0.75000000000000 0.82067143624181 69.723 > 2 9 Ga 0.12500000000000 0.00000000000000 0.32067143624181 69.723 > 3 10 Ga 0.62500000000000 0.00000000000000 0.32067143624181 69.723 > 3 11 Ga 0.12500000000000 0.50000000000000 0.32067143624181 69.723 > 3 12 Ga 0.62500000000000 0.50000000000000 0.32067143624181 69.723 > 3 13 Ga 0.12500000000000 0.25000000000000 0.17932856375819 69.723 > 4 14 Ga 0.62500000000000 0.25000000000000 0.17932856375819 69.723 > 4 15 Ga 0.12500000000000 0.75000000000000 0.17932856375819 69.723 > 4 16 Ga 0.62500000000000 0.75000000000000 0.17932856375819 69.723 > 4 *17 Ga 0.07238828133793 0.12500000000000 0.75000000000000 69.723 > 5 18 Ga 0.57238828133793 0.12500000000000 0.75000000000000 69.723 > 5 19 Ga 0.07238828133793 0.62500000000000 0.75000000000000 69.723 > 5 20 Ga 0.57238828133793 0.62500000000000 0.75000000000000 69.723 > 5 21 Ga 0.17761171866207 0.37500000000000 0.75000000000000 69.723 > 6 22 Ga 0.67761171866207 0.37500000000000 0.75000000000000 69.723 > 6 23 Ga 0.17761171866207 0.87500000000000 0.75000000000000 69.723 > 6 24 Ga 0.67761171866207 0.87500000000000 0.75000000000000 69.723 > 6 25 Ga 0.42761171866207 0.37500000000000 0.25000000000000 69.723 > 7 26 Ga 0.92761171866207 0.37500000000000 0.25000000000000 69.723 > 7 27 Ga 0.42761171866207 0.87500000000000 0.25000000000000 69.723 > 7 28 Ga 0.92761171866207 0.87500000000000 0.25000000000000 69.723 > 7 29 Ga 0.32238828133793 0.12500000000000 0.25000000000000 69.723 > 8 30 Ga 0.82238828133793 0.12500000000000 0.25000000000000 69.723 > 8 31 Ga 0.32238828133793 0.62500000000000 0.25000000000000 69.723 > 8 32 Ga 0.82238828133793 0.62500000000000 0.25000000000000 69.723 > 8 *33 Br 0.41812176320155 0.09419133663270 0.54853973111104 79.904 > 9 34 Br 0.91812176320155 0.09419133663270 0.54853973111104 79.904 > 9 35 Br 0.41812176320155 0.59419133663270 0.54853973111104 79.904 > 9 36 Br 0.91812176320155 0.59419133663270 0.54853973111104 79.904 > 9 37 Br 0.41812176320155 0.15580866336730 0.95146026888896 79.904 > 10 38 Br 0.91812176320155 0.15580866336730 0.95146026888896 79.904 > 10 39 Br 0.41812176320155 0.65580866336730 0.95146026888896 79.904 > 10 40 Br 0.91812176320155 0.65580866336730 0.95146026888896 79.904 > 10 41 Br 0.33187823679845 0.34419133663270 0.95146026888896 79.904 > 11 42 Br 0.83187823679845 0.34419133663270 0.95146026888896 79.904 > 11 43 Br 0.33187823679845 0.84419133663270 0.95146026888896 79.904 > 11 44 Br 0.83187823679845 0.84419133663270 0.95146026888896 79.904 > 11 45 Br 0.33187823679845 0.40580866336730 0.54853973111104 79.904 > 12 46 Br 0.83187823679845 0.40580866336730 0.54853973111104 79.904 > 12 47 Br 0.33187823679845 0.90580866336730 0.54853973111104 79.904 > 12 48 Br 0.83187823679845 0.90580866336730 0.54853973111104 79.904 > 12 49 Br 0.08187823679845 0.40580866336730 0.45146026888896 79.904 > 13 50 Br 0.58187823679845 0.40580866336730 0.45146026888896 79.904 > 13 51 Br 0.08187823679845 0.90580866336730 0.45146026888896 79.904 > 13 52 Br 0.58187823679845 0.90580866336730 0.45146026888896 79.904 > 13 53 Br 0.08187823679845 0.34419133663270 0.04853973111104 79.904 > 14 54 Br 0.58187823679845 0.34419133663270 0.04853973111104 79.904 > 14 55 Br 0.08187823679845 0.84419133663270 0.04853973111104 79.904 > 14 56 Br 0.58187823679845 0.84419133663270 0.04853973111104 79.904 > 14 57 Br 0.16812176320155 0.15580866336730 0.04853973111104 79.904 > 15 58 Br 0.66812176320155 0.15580866336730 0.04853973111104 79.904 > 15 59 Br 0.16812176320155 0.65580866336730 0.04853973111104 79.904 > 15 60 Br 0.66812176320155 0.65580866336730 0.04853973111104 79.904 > 15 61 Br 0.16812176320155 0.09419133663270 0.45146026888896 79.904 > 16 62 Br 0.66812176320155 0.09419133663270 0.45146026888896 79.904 > 16 63 Br 0.16812176320155 0.59419133663270 0.45146026888896 79.904 > 16 64 Br 0.66812176320155 0.59419133663270 0.45146026888896 79.904 > 16 *65 Br 0.24842633799687 0.02199054600128 0.81419539546854 79.904 > 17 66 Br 0.74842633799687 0.02199054600128 0.81419539546854 79.904 > 17 67 Br 0.24842633799687 0.52199054600128 0.81419539546854 79.904 > 17 68 Br 0.74842633799687 0.52199054600128 0.81419539546854 79.904 > 17 69 Br 0.24842633799687 0.22800945399872 0.68580460453146 79.904 > 18 70 Br 0.74842633799687 0.22800945399872 0.68580460453146 79.904 > 18 71 Br 0.24842633799687 0.72800945399872 0.68580460453146 79.904 > 18 72 Br 0.74842633799687 0.72800945399872 0.68580460453146 79.904 > 18 73 Br 0.00157366200313 0.27199054600128 0.68580460453146 79.904 > 19 74 Br 0.50157366200313 0.27199054600128 0.68580460453146 79.904 > 19 75 Br 0.00157366200313 0.77199054600128 0.68580460453146 79.904 > 19 76 Br 0.50157366200313 0.77199054600128 0.68580460453146 79.904 > 19 77 Br 0.00157366200313 0.47800945399872 0.81419539546854 79.904 > 20 78 Br 0.50157366200313 0.47800945399872 0.81419539546854 79.904 > 20 79 Br 0.00157366200313 0.97800945399872 0.81419539546854 79.904 > 20 80 Br 0.50157366200313 0.97800945399872 0.81419539546854 79.904 > 20 81 Br 0.25157366200313 0.47800945399872 0.18580460453146 79.904 > 21 82 Br 0.75157366200313 0.47800945399872 0.18580460453146 79.904 > 21 83 Br 0.25157366200313 0.97800945399872 0.18580460453146 79.904 > 21 84 Br 0.75157366200313 0.97800945399872 0.18580460453146 79.904 > 21 85 Br 0.25157366200313 0.27199054600128 0.31419539546854 79.904 > 22 86 Br 0.75157366200313 0.27199054600128 0.31419539546854 79.904 > 22 87 Br 0.25157366200313 0.77199054600128 0.31419539546854 79.904 > 22 88 Br 0.75157366200313 0.77199054600128 0.31419539546854 79.904 > 22 89 Br 0.49842633799687 0.22800945399872 0.31419539546854 79.904 > 23 90 Br 0.99842633799687 0.22800945399872 0.31419539546854 79.904 > 23 91 Br 0.49842633799687 0.72800945399872 0.31419539546854 79.904 > 23 92 Br 0.99842633799687 0.72800945399872 0.31419539546854 79.904 > 23 93 Br 0.49842633799687 0.02199054600128 0.18580460453146 79.904 > 24 94 Br 0.99842633799687 0.02199054600128 0.18580460453146 79.904 > 24 95 Br 0.49842633799687 0.52199054600128 0.18580460453146 79.904 > 24 96 Br 0.99842633799687 0.52199054600128 0.18580460453146 79.904 > 24----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.6855043 0.0000000 0.0000000 0.0000000 4.3998903 0.0000000 0.0000000 0.0000000 4.2115465-------------------------- Born effective charges -------------------------- 1 Ga 2.9913299 0.3243119 0.0000000 0.3978303 2.5187792 0.0000000 0.0000000 0.0000000 2.0932336 2 Ga 2.9913299 -0.3243119 0.0000000 -0.3978303 2.5187792 0.0000000 0.0000000 0.0000000 2.0932336 3 Ga 2.9913299 0.3243119 0.0000000 0.3978303 2.5187792 0.0000000 0.0000000 0.0000000 2.0932336 4 Ga 2.9913299 -0.3243119 0.0000000 -0.3978303 2.5187792 0.0000000 0.0000000 0.0000000 2.0932336 5 Ga 2.3352368 0.0000000 0.0000000 0.0000000 2.1953066 0.2448553 0.0000000 0.3907610 1.8301520 6 Ga 2.3352368 0.0000000 0.0000000 0.0000000 2.1953066 -0.2448553 0.0000000 -0.3907610 1.8301520 7 Ga 2.3352368 0.0000000 0.0000000 0.0000000 2.1953066 0.2448553 0.0000000 0.3907610 1.8301520 8 Ga 2.3352368 0.0000000 0.0000000 0.0000000 2.1953066 -0.2448553 0.0000000 -0.3907610 1.8301520 9 Br -1.0277962 -0.3235638 -0.3898040 -0.3342508 -1.1457675 0.3772577 -0.3013130 0.3868047 -1.2584178 10 Br -1.0277962 0.3235638 0.3898040 0.3342508 -1.1457675 0.3772577 0.3013130 0.3868047 -1.2584178 11 Br -1.0277962 0.3235638 -0.3898040 0.3342508 -1.1457675 -0.3772577 -0.3013130 -0.3868047 -1.2584178 12 Br -1.0277962 -0.3235638 0.3898040 -0.3342508 -1.1457675 -0.3772577 0.3013130 -0.3868047 -1.2584178 13 Br -1.0277962 -0.3235638 -0.3898040 -0.3342508 -1.1457675 0.3772577 -0.3013130 0.3868047 -1.2584178 14 Br -1.0277962 0.3235638 0.3898040 0.3342508 -1.1457675 0.3772577 0.3013130 0.3868047 -1.2584178 15 Br -1.0277962 0.3235638 -0.3898040 0.3342508 -1.1457675 -0.3772577 -0.3013130 -0.3868047 -1.2584178 16 Br -1.0277962 -0.3235638 0.3898040 -0.3342508 -1.1457675 -0.3772577 0.3013130 -0.3868047 -1.2584178 17 Br -1.6354872 0.1209470 0.5735531 0.0816391 -1.2112754 -0.2243968 0.4982833 -0.1680490 -0.7032750 18 Br -1.6354872 -0.1209470 -0.5735531 -0.0816391 -1.2112754 -0.2243968 -0.4982833 -0.1680490 -0.7032750 19 Br -1.6354872 -0.1209470 0.5735531 -0.0816391 -1.2112754 0.2243968 0.4982833 0.1680490 -0.7032750 20 Br -1.6354872 0.1209470 -0.5735531 0.0816391 -1.2112754 0.2243968 -0.4982833 0.1680490 -0.7032750 21 Br -1.6354872 0.1209470 0.5735531 0.0816391 -1.2112754 -0.2243968 0.4982833 -0.1680490 -0.7032750 22 Br -1.6354872 -0.1209470 -0.5735531 -0.0816391 -1.2112754 -0.2243968 -0.4982833 -0.1680490 -0.7032750 23 Br -1.6354872 -0.1209470 0.5735531 -0.0816391 -1.2112754 0.2243968 0.4982833 0.1680490 -0.7032750 24 Br -1.6354872 0.1209470 -0.5735531 0.0816391 -1.2112754 0.2243968 -0.4982833 0.1680490 -0.7032750----------------------------------------------------------------------------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: 288/288Permutation basis: 10656/10656Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1371Number of blocks in projector: 1371Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 290Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 286Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 282Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 171Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 171Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 171Use standard eigh solver.Tree of FC basis block matrices:- (1371, 1343), data: False|-- (171, 167), data: True|-- (171, 167), data: True|-- (171, 167), data: True|-- (282, 278), data: True|-- (286, 280), data: True|-- (290, 284), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 400 - Time: 1.523Solver_block: 200 / 400 - Time: 1.505Solver_block: 300 / 400 - Time: 1.505Solver_block: 400 / 400 - Time: 1.505Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.071--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288Permutation basis: 10656/10656Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1371Number of blocks in projector: 1371Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 290Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 286Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 282Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 171Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 171Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 171Use standard eigh solver.Tree of FC basis block matrices:- (1371, 1343), data: False|-- (171, 167), data: True|-- (171, 167), data: True|-- (171, 167), data: True|-- (282, 278), data: True|-- (286, 280), data: True|-- (290, 284), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 07:08:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:08:40]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnna (52)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.418298370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.783797000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.929662240000001Atomic positions (fractional): 1 Ga 0.75000000000000 0.00000000000000 0.67932856375819 69.723 2 Ga 0.75000000000000 0.50000000000000 0.82067143624181 69.723 3 Ga 0.25000000000000 0.00000000000000 0.32067143624181 69.723 4 Ga 0.25000000000000 0.50000000000000 0.17932856375819 69.723 5 Ga 0.14477656267587 0.25000000000000 0.75000000000000 69.723 6 Ga 0.35522343732413 0.75000000000000 0.75000000000000 69.723 7 Ga 0.85522343732413 0.75000000000000 0.25000000000000 69.723 8 Ga 0.64477656267587 0.25000000000000 0.25000000000000 69.723 9 Br 0.83624352640309 0.18838267326540 0.54853973111104 79.904 10 Br 0.83624352640309 0.31161732673461 0.95146026888896 79.904 11 Br 0.66375647359691 0.68838267326540 0.95146026888896 79.904 12 Br 0.66375647359691 0.81161732673460 0.54853973111104 79.904 13 Br 0.16375647359691 0.81161732673460 0.45146026888896 79.904 14 Br 0.16375647359691 0.68838267326540 0.04853973111104 79.904 15 Br 0.33624352640309 0.31161732673461 0.04853973111104 79.904 16 Br 0.33624352640309 0.18838267326540 0.45146026888896 79.904 17 Br 0.49685267599375 0.04398109200256 0.81419539546854 79.904 18 Br 0.49685267599375 0.45601890799744 0.68580460453146 79.904 19 Br 0.00314732400625 0.54398109200256 0.68580460453146 79.904 20 Br 0.00314732400625 0.95601890799744 0.81419539546854 79.904 21 Br 0.50314732400625 0.95601890799744 0.18580460453146 79.904 22 Br 0.50314732400625 0.54398109200256 0.31419539546854 79.904 23 Br 0.99685267599375 0.45601890799744 0.31419539546854 79.904 24 Br 0.99685267599375 0.04398109200256 0.18580460453146 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 14.836596739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 19.567594000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.929662240000001Atomic positions (fractional): 1 Ga 0.37500000000000 0.00000000000000 0.67932856375819 69.723 > 1 2 Ga 0.87500000000000 0.00000000000000 0.67932856375819 69.723 > 1 3 Ga 0.37500000000000 0.50000000000000 0.67932856375819 69.723 > 1 4 Ga 0.87500000000000 0.50000000000000 0.67932856375819 69.723 > 1 5 Ga 0.37500000000000 0.25000000000000 0.82067143624181 69.723 > 5 6 Ga 0.87500000000000 0.25000000000000 0.82067143624181 69.723 > 5 7 Ga 0.37500000000000 0.75000000000000 0.82067143624181 69.723 > 5 8 Ga 0.87500000000000 0.75000000000000 0.82067143624181 69.723 > 5 9 Ga 0.12500000000000 0.00000000000000 0.32067143624181 69.723 > 9 10 Ga 0.62500000000000 0.00000000000000 0.32067143624181 69.723 > 9 11 Ga 0.12500000000000 0.50000000000000 0.32067143624181 69.723 > 9 12 Ga 0.62500000000000 0.50000000000000 0.32067143624181 69.723 > 9 13 Ga 0.12500000000000 0.25000000000000 0.17932856375819 69.723 > 13 14 Ga 0.62500000000000 0.25000000000000 0.17932856375819 69.723 > 13 15 Ga 0.12500000000000 0.75000000000000 0.17932856375819 69.723 > 13 16 Ga 0.62500000000000 0.75000000000000 0.17932856375819 69.723 > 13 17 Ga 0.07238828133793 0.12500000000000 0.75000000000000 69.723 > 17 18 Ga 0.57238828133793 0.12500000000000 0.75000000000000 69.723 > 17 19 Ga 0.07238828133793 0.62500000000000 0.75000000000000 69.723 > 17 20 Ga 0.57238828133793 0.62500000000000 0.75000000000000 69.723 > 17 21 Ga 0.17761171866207 0.37500000000000 0.75000000000000 69.723 > 21 22 Ga 0.67761171866207 0.37500000000000 0.75000000000000 69.723 > 21 23 Ga 0.17761171866207 0.87500000000000 0.75000000000000 69.723 > 21 24 Ga 0.67761171866207 0.87500000000000 0.75000000000000 69.723 > 21 25 Ga 0.42761171866207 0.37500000000000 0.25000000000000 69.723 > 25 26 Ga 0.92761171866207 0.37500000000000 0.25000000000000 69.723 > 25 27 Ga 0.42761171866207 0.87500000000000 0.25000000000000 69.723 > 25 28 Ga 0.92761171866207 0.87500000000000 0.25000000000000 69.723 > 25 29 Ga 0.32238828133793 0.12500000000000 0.25000000000000 69.723 > 29 30 Ga 0.82238828133793 0.12500000000000 0.25000000000000 69.723 > 29 31 Ga 0.32238828133793 0.62500000000000 0.25000000000000 69.723 > 29 32 Ga 0.82238828133793 0.62500000000000 0.25000000000000 69.723 > 29 33 Br 0.41812176320155 0.09419133663270 0.54853973111104 79.904 > 33 34 Br 0.91812176320155 0.09419133663270 0.54853973111104 79.904 > 33 35 Br 0.41812176320155 0.59419133663270 0.54853973111104 79.904 > 33 36 Br 0.91812176320155 0.59419133663270 0.54853973111104 79.904 > 33 37 Br 0.41812176320155 0.15580866336730 0.95146026888896 79.904 > 37 38 Br 0.91812176320155 0.15580866336730 0.95146026888896 79.904 > 37 39 Br 0.41812176320155 0.65580866336730 0.95146026888896 79.904 > 37 40 Br 0.91812176320155 0.65580866336730 0.95146026888896 79.904 > 37 41 Br 0.33187823679845 0.34419133663270 0.95146026888896 79.904 > 41 42 Br 0.83187823679845 0.34419133663270 0.95146026888896 79.904 > 41 43 Br 0.33187823679845 0.84419133663270 0.95146026888896 79.904 > 41 44 Br 0.83187823679845 0.84419133663270 0.95146026888896 79.904 > 41 45 Br 0.33187823679845 0.40580866336730 0.54853973111104 79.904 > 45 46 Br 0.83187823679845 0.40580866336730 0.54853973111104 79.904 > 45 47 Br 0.33187823679845 0.90580866336730 0.54853973111104 79.904 > 45 48 Br 0.83187823679845 0.90580866336730 0.54853973111104 79.904 > 45 49 Br 0.08187823679845 0.40580866336730 0.45146026888896 79.904 > 49 50 Br 0.58187823679845 0.40580866336730 0.45146026888896 79.904 > 49 51 Br 0.08187823679845 0.90580866336730 0.45146026888896 79.904 > 49 52 Br 0.58187823679845 0.90580866336730 0.45146026888896 79.904 > 49 53 Br 0.08187823679845 0.34419133663270 0.04853973111104 79.904 > 53 54 Br 0.58187823679845 0.34419133663270 0.04853973111104 79.904 > 53 55 Br 0.08187823679845 0.84419133663270 0.04853973111104 79.904 > 53 56 Br 0.58187823679845 0.84419133663270 0.04853973111104 79.904 > 53 57 Br 0.16812176320155 0.15580866336730 0.04853973111104 79.904 > 57 58 Br 0.66812176320155 0.15580866336730 0.04853973111104 79.904 > 57 59 Br 0.16812176320155 0.65580866336730 0.04853973111104 79.904 > 57 60 Br 0.66812176320155 0.65580866336730 0.04853973111104 79.904 > 57 61 Br 0.16812176320155 0.09419133663270 0.45146026888896 79.904 > 61 62 Br 0.66812176320155 0.09419133663270 0.45146026888896 79.904 > 61 63 Br 0.16812176320155 0.59419133663270 0.45146026888896 79.904 > 61 64 Br 0.66812176320155 0.59419133663270 0.45146026888896 79.904 > 61 65 Br 0.24842633799687 0.02199054600128 0.81419539546854 79.904 > 65 66 Br 0.74842633799687 0.02199054600128 0.81419539546854 79.904 > 65 67 Br 0.24842633799687 0.52199054600128 0.81419539546854 79.904 > 65 68 Br 0.74842633799687 0.52199054600128 0.81419539546854 79.904 > 65 69 Br 0.24842633799687 0.22800945399872 0.68580460453146 79.904 > 69 70 Br 0.74842633799687 0.22800945399872 0.68580460453146 79.904 > 69 71 Br 0.24842633799687 0.72800945399872 0.68580460453146 79.904 > 69 72 Br 0.74842633799687 0.72800945399872 0.68580460453146 79.904 > 69 73 Br 0.00157366200313 0.27199054600128 0.68580460453146 79.904 > 73 74 Br 0.50157366200313 0.27199054600128 0.68580460453146 79.904 > 73 75 Br 0.00157366200313 0.77199054600128 0.68580460453146 79.904 > 73 76 Br 0.50157366200313 0.77199054600128 0.68580460453146 79.904 > 73 77 Br 0.00157366200313 0.47800945399872 0.81419539546854 79.904 > 77 78 Br 0.50157366200313 0.47800945399872 0.81419539546854 79.904 > 77 79 Br 0.00157366200313 0.97800945399872 0.81419539546854 79.904 > 77 80 Br 0.50157366200313 0.97800945399872 0.81419539546854 79.904 > 77 81 Br 0.25157366200313 0.47800945399872 0.18580460453146 79.904 > 81 82 Br 0.75157366200313 0.47800945399872 0.18580460453146 79.904 > 81 83 Br 0.25157366200313 0.97800945399872 0.18580460453146 79.904 > 81 84 Br 0.75157366200313 0.97800945399872 0.18580460453146 79.904 > 81 85 Br 0.25157366200313 0.27199054600128 0.31419539546854 79.904 > 85 86 Br 0.75157366200313 0.27199054600128 0.31419539546854 79.904 > 85 87 Br 0.25157366200313 0.77199054600128 0.31419539546854 79.904 > 85 88 Br 0.75157366200313 0.77199054600128 0.31419539546854 79.904 > 85 89 Br 0.49842633799687 0.22800945399872 0.31419539546854 79.904 > 89 90 Br 0.99842633799687 0.22800945399872 0.31419539546854 79.904 > 89 91 Br 0.49842633799687 0.72800945399872 0.31419539546854 79.904 > 89 92 Br 0.99842633799687 0.72800945399872 0.31419539546854 79.904 > 89 93 Br 0.49842633799687 0.02199054600128 0.18580460453146 79.904 > 93 94 Br 0.99842633799687 0.02199054600128 0.18580460453146 79.904 > 93 95 Br 0.49842633799687 0.52199054600128 0.18580460453146 79.904 > 93 96 Br 0.99842633799687 0.52199054600128 0.18580460453146 79.904 > 93----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.6855043 0.0000000 0.0000000 0.0000000 4.3998903 0.0000000 0.0000000 0.0000000 4.2115465-------------------------- Born effective charges -------------------------- 1 Ga 2.9913299 0.3243119 0.0000000 0.3978303 2.5187792 0.0000000 0.0000000 0.0000000 2.0932336 2 Ga 2.9913299 -0.3243119 0.0000000 -0.3978303 2.5187792 0.0000000 0.0000000 0.0000000 2.0932336 3 Ga 2.9913299 0.3243119 0.0000000 0.3978303 2.5187792 0.0000000 0.0000000 0.0000000 2.0932336 4 Ga 2.9913299 -0.3243119 0.0000000 -0.3978303 2.5187792 0.0000000 0.0000000 0.0000000 2.0932336 5 Ga 2.3352368 0.0000000 0.0000000 0.0000000 2.1953066 0.2448553 0.0000000 0.3907610 1.8301520 6 Ga 2.3352368 0.0000000 0.0000000 0.0000000 2.1953066 -0.2448553 0.0000000 -0.3907610 1.8301520 7 Ga 2.3352368 0.0000000 0.0000000 0.0000000 2.1953066 0.2448553 0.0000000 0.3907610 1.8301520 8 Ga 2.3352368 0.0000000 0.0000000 0.0000000 2.1953066 -0.2448553 0.0000000 -0.3907610 1.8301520 9 Br -1.0277962 -0.3235638 -0.3898040 -0.3342508 -1.1457675 0.3772577 -0.3013130 0.3868047 -1.2584178 10 Br -1.0277962 0.3235638 0.3898040 0.3342508 -1.1457675 0.3772577 0.3013130 0.3868047 -1.2584178 11 Br -1.0277962 0.3235638 -0.3898040 0.3342508 -1.1457675 -0.3772577 -0.3013130 -0.3868047 -1.2584178 12 Br -1.0277962 -0.3235638 0.3898040 -0.3342508 -1.1457675 -0.3772577 0.3013130 -0.3868047 -1.2584178 13 Br -1.0277962 -0.3235638 -0.3898040 -0.3342508 -1.1457675 0.3772577 -0.3013130 0.3868047 -1.2584178 14 Br -1.0277962 0.3235638 0.3898040 0.3342508 -1.1457675 0.3772577 0.3013130 0.3868047 -1.2584178 15 Br -1.0277962 0.3235638 -0.3898040 0.3342508 -1.1457675 -0.3772577 -0.3013130 -0.3868047 -1.2584178 16 Br -1.0277962 -0.3235638 0.3898040 -0.3342508 -1.1457675 -0.3772577 0.3013130 -0.3868047 -1.2584178 17 Br -1.6354872 0.1209470 0.5735531 0.0816391 -1.2112754 -0.2243968 0.4982833 -0.1680490 -0.7032750 18 Br -1.6354872 -0.1209470 -0.5735531 -0.0816391 -1.2112754 -0.2243968 -0.4982833 -0.1680490 -0.7032750 19 Br -1.6354872 -0.1209470 0.5735531 -0.0816391 -1.2112754 0.2243968 0.4982833 0.1680490 -0.7032750 20 Br -1.6354872 0.1209470 -0.5735531 0.0816391 -1.2112754 0.2243968 -0.4982833 0.1680490 -0.7032750 21 Br -1.6354872 0.1209470 0.5735531 0.0816391 -1.2112754 -0.2243968 0.4982833 -0.1680490 -0.7032750 22 Br -1.6354872 -0.1209470 -0.5735531 -0.0816391 -1.2112754 -0.2243968 -0.4982833 -0.1680490 -0.7032750 23 Br -1.6354872 -0.1209470 0.5735531 -0.0816391 -1.2112754 0.2243968 0.4982833 0.1680490 -0.7032750 24 Br -1.6354872 0.1209470 -0.5735531 0.0816391 -1.2112754 0.2243968 -0.4982833 0.1680490 -0.7032750----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:08:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:08:55]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnna (52)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.418298370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.783797000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.929662240000001Atomic positions (fractional): 1 Ga 0.75000000000000 0.00000000000000 0.67932856375819 69.723 2 Ga 0.75000000000000 0.50000000000000 0.82067143624181 69.723 3 Ga 0.25000000000000 0.00000000000000 0.32067143624181 69.723 4 Ga 0.25000000000000 0.50000000000000 0.17932856375819 69.723 5 Ga 0.14477656267587 0.25000000000000 0.75000000000000 69.723 6 Ga 0.35522343732413 0.75000000000000 0.75000000000000 69.723 7 Ga 0.85522343732413 0.75000000000000 0.25000000000000 69.723 8 Ga 0.64477656267587 0.25000000000000 0.25000000000000 69.723 9 Br 0.83624352640309 0.18838267326540 0.54853973111104 79.904 10 Br 0.83624352640309 0.31161732673461 0.95146026888896 79.904 11 Br 0.66375647359691 0.68838267326540 0.95146026888896 79.904 12 Br 0.66375647359691 0.81161732673460 0.54853973111104 79.904 13 Br 0.16375647359691 0.81161732673460 0.45146026888896 79.904 14 Br 0.16375647359691 0.68838267326540 0.04853973111104 79.904 15 Br 0.33624352640309 0.31161732673461 0.04853973111104 79.904 16 Br 0.33624352640309 0.18838267326540 0.45146026888896 79.904 17 Br 0.49685267599375 0.04398109200256 0.81419539546854 79.904 18 Br 0.49685267599375 0.45601890799744 0.68580460453146 79.904 19 Br 0.00314732400625 0.54398109200256 0.68580460453146 79.904 20 Br 0.00314732400625 0.95601890799744 0.81419539546854 79.904 21 Br 0.50314732400625 0.95601890799744 0.18580460453146 79.904 22 Br 0.50314732400625 0.54398109200256 0.31419539546854 79.904 23 Br 0.99685267599375 0.45601890799744 0.31419539546854 79.904 24 Br 0.99685267599375 0.04398109200256 0.18580460453146 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 14.836596739999999 0.000000000000000 0.000000000000000 b 0.000000000000000 19.567594000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.929662240000001Atomic positions (fractional): 1 Ga 0.37500000000000 0.00000000000000 0.67932856375819 69.723 > 1 2 Ga 0.87500000000000 0.00000000000000 0.67932856375819 69.723 > 1 3 Ga 0.37500000000000 0.50000000000000 0.67932856375819 69.723 > 1 4 Ga 0.87500000000000 0.50000000000000 0.67932856375819 69.723 > 1 5 Ga 0.37500000000000 0.25000000000000 0.82067143624181 69.723 > 5 6 Ga 0.87500000000000 0.25000000000000 0.82067143624181 69.723 > 5 7 Ga 0.37500000000000 0.75000000000000 0.82067143624181 69.723 > 5 8 Ga 0.87500000000000 0.75000000000000 0.82067143624181 69.723 > 5 9 Ga 0.12500000000000 0.00000000000000 0.32067143624181 69.723 > 9 10 Ga 0.62500000000000 0.00000000000000 0.32067143624181 69.723 > 9 11 Ga 0.12500000000000 0.50000000000000 0.32067143624181 69.723 > 9 12 Ga 0.62500000000000 0.50000000000000 0.32067143624181 69.723 > 9 13 Ga 0.12500000000000 0.25000000000000 0.17932856375819 69.723 > 13 14 Ga 0.62500000000000 0.25000000000000 0.17932856375819 69.723 > 13 15 Ga 0.12500000000000 0.75000000000000 0.17932856375819 69.723 > 13 16 Ga 0.62500000000000 0.75000000000000 0.17932856375819 69.723 > 13 17 Ga 0.07238828133793 0.12500000000000 0.75000000000000 69.723 > 17 18 Ga 0.57238828133793 0.12500000000000 0.75000000000000 69.723 > 17 19 Ga 0.07238828133793 0.62500000000000 0.75000000000000 69.723 > 17 20 Ga 0.57238828133793 0.62500000000000 0.75000000000000 69.723 > 17 21 Ga 0.17761171866207 0.37500000000000 0.75000000000000 69.723 > 21 22 Ga 0.67761171866207 0.37500000000000 0.75000000000000 69.723 > 21 23 Ga 0.17761171866207 0.87500000000000 0.75000000000000 69.723 > 21 24 Ga 0.67761171866207 0.87500000000000 0.75000000000000 69.723 > 21 25 Ga 0.42761171866207 0.37500000000000 0.25000000000000 69.723 > 25 26 Ga 0.92761171866207 0.37500000000000 0.25000000000000 69.723 > 25 27 Ga 0.42761171866207 0.87500000000000 0.25000000000000 69.723 > 25 28 Ga 0.92761171866207 0.87500000000000 0.25000000000000 69.723 > 25 29 Ga 0.32238828133793 0.12500000000000 0.25000000000000 69.723 > 29 30 Ga 0.82238828133793 0.12500000000000 0.25000000000000 69.723 > 29 31 Ga 0.32238828133793 0.62500000000000 0.25000000000000 69.723 > 29 32 Ga 0.82238828133793 0.62500000000000 0.25000000000000 69.723 > 29 33 Br 0.41812176320155 0.09419133663270 0.54853973111104 79.904 > 33 34 Br 0.91812176320155 0.09419133663270 0.54853973111104 79.904 > 33 35 Br 0.41812176320155 0.59419133663270 0.54853973111104 79.904 > 33 36 Br 0.91812176320155 0.59419133663270 0.54853973111104 79.904 > 33 37 Br 0.41812176320155 0.15580866336730 0.95146026888896 79.904 > 37 38 Br 0.91812176320155 0.15580866336730 0.95146026888896 79.904 > 37 39 Br 0.41812176320155 0.65580866336730 0.95146026888896 79.904 > 37 40 Br 0.91812176320155 0.65580866336730 0.95146026888896 79.904 > 37 41 Br 0.33187823679845 0.34419133663270 0.95146026888896 79.904 > 41 42 Br 0.83187823679845 0.34419133663270 0.95146026888896 79.904 > 41 43 Br 0.33187823679845 0.84419133663270 0.95146026888896 79.904 > 41 44 Br 0.83187823679845 0.84419133663270 0.95146026888896 79.904 > 41 45 Br 0.33187823679845 0.40580866336730 0.54853973111104 79.904 > 45 46 Br 0.83187823679845 0.40580866336730 0.54853973111104 79.904 > 45 47 Br 0.33187823679845 0.90580866336730 0.54853973111104 79.904 > 45 48 Br 0.83187823679845 0.90580866336730 0.54853973111104 79.904 > 45 49 Br 0.08187823679845 0.40580866336730 0.45146026888896 79.904 > 49 50 Br 0.58187823679845 0.40580866336730 0.45146026888896 79.904 > 49 51 Br 0.08187823679845 0.90580866336730 0.45146026888896 79.904 > 49 52 Br 0.58187823679845 0.90580866336730 0.45146026888896 79.904 > 49 53 Br 0.08187823679845 0.34419133663270 0.04853973111104 79.904 > 53 54 Br 0.58187823679845 0.34419133663270 0.04853973111104 79.904 > 53 55 Br 0.08187823679845 0.84419133663270 0.04853973111104 79.904 > 53 56 Br 0.58187823679845 0.84419133663270 0.04853973111104 79.904 > 53 57 Br 0.16812176320155 0.15580866336730 0.04853973111104 79.904 > 57 58 Br 0.66812176320155 0.15580866336730 0.04853973111104 79.904 > 57 59 Br 0.16812176320155 0.65580866336730 0.04853973111104 79.904 > 57 60 Br 0.66812176320155 0.65580866336730 0.04853973111104 79.904 > 57 61 Br 0.16812176320155 0.09419133663270 0.45146026888896 79.904 > 61 62 Br 0.66812176320155 0.09419133663270 0.45146026888896 79.904 > 61 63 Br 0.16812176320155 0.59419133663270 0.45146026888896 79.904 > 61 64 Br 0.66812176320155 0.59419133663270 0.45146026888896 79.904 > 61 65 Br 0.24842633799687 0.02199054600128 0.81419539546854 79.904 > 65 66 Br 0.74842633799687 0.02199054600128 0.81419539546854 79.904 > 65 67 Br 0.24842633799687 0.52199054600128 0.81419539546854 79.904 > 65 68 Br 0.74842633799687 0.52199054600128 0.81419539546854 79.904 > 65 69 Br 0.24842633799687 0.22800945399872 0.68580460453146 79.904 > 69 70 Br 0.74842633799687 0.22800945399872 0.68580460453146 79.904 > 69 71 Br 0.24842633799687 0.72800945399872 0.68580460453146 79.904 > 69 72 Br 0.74842633799687 0.72800945399872 0.68580460453146 79.904 > 69 73 Br 0.00157366200313 0.27199054600128 0.68580460453146 79.904 > 73 74 Br 0.50157366200313 0.27199054600128 0.68580460453146 79.904 > 73 75 Br 0.00157366200313 0.77199054600128 0.68580460453146 79.904 > 73 76 Br 0.50157366200313 0.77199054600128 0.68580460453146 79.904 > 73 77 Br 0.00157366200313 0.47800945399872 0.81419539546854 79.904 > 77 78 Br 0.50157366200313 0.47800945399872 0.81419539546854 79.904 > 77 79 Br 0.00157366200313 0.97800945399872 0.81419539546854 79.904 > 77 80 Br 0.50157366200313 0.97800945399872 0.81419539546854 79.904 > 77 81 Br 0.25157366200313 0.47800945399872 0.18580460453146 79.904 > 81 82 Br 0.75157366200313 0.47800945399872 0.18580460453146 79.904 > 81 83 Br 0.25157366200313 0.97800945399872 0.18580460453146 79.904 > 81 84 Br 0.75157366200313 0.97800945399872 0.18580460453146 79.904 > 81 85 Br 0.25157366200313 0.27199054600128 0.31419539546854 79.904 > 85 86 Br 0.75157366200313 0.27199054600128 0.31419539546854 79.904 > 85 87 Br 0.25157366200313 0.77199054600128 0.31419539546854 79.904 > 85 88 Br 0.75157366200313 0.77199054600128 0.31419539546854 79.904 > 85 89 Br 0.49842633799687 0.22800945399872 0.31419539546854 79.904 > 89 90 Br 0.99842633799687 0.22800945399872 0.31419539546854 79.904 > 89 91 Br 0.49842633799687 0.72800945399872 0.31419539546854 79.904 > 89 92 Br 0.99842633799687 0.72800945399872 0.31419539546854 79.904 > 89 93 Br 0.49842633799687 0.02199054600128 0.18580460453146 79.904 > 93 94 Br 0.99842633799687 0.02199054600128 0.18580460453146 79.904 > 93 95 Br 0.49842633799687 0.52199054600128 0.18580460453146 79.904 > 93 96 Br 0.99842633799687 0.52199054600128 0.18580460453146 79.904 > 93----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.6855043 0.0000000 0.0000000 0.0000000 4.3998903 0.0000000 0.0000000 0.0000000 4.2115465-------------------------- Born effective charges -------------------------- 1 Ga 2.9913299 0.3243119 0.0000000 0.3978303 2.5187792 0.0000000 0.0000000 0.0000000 2.0932336 2 Ga 2.9913299 -0.3243119 0.0000000 -0.3978303 2.5187792 0.0000000 0.0000000 0.0000000 2.0932336 3 Ga 2.9913299 0.3243119 0.0000000 0.3978303 2.5187792 0.0000000 0.0000000 0.0000000 2.0932336 4 Ga 2.9913299 -0.3243119 0.0000000 -0.3978303 2.5187792 0.0000000 0.0000000 0.0000000 2.0932336 5 Ga 2.3352368 0.0000000 0.0000000 0.0000000 2.1953066 0.2448553 0.0000000 0.3907610 1.8301520 6 Ga 2.3352368 0.0000000 0.0000000 0.0000000 2.1953066 -0.2448553 0.0000000 -0.3907610 1.8301520 7 Ga 2.3352368 0.0000000 0.0000000 0.0000000 2.1953066 0.2448553 0.0000000 0.3907610 1.8301520 8 Ga 2.3352368 0.0000000 0.0000000 0.0000000 2.1953066 -0.2448553 0.0000000 -0.3907610 1.8301520 9 Br -1.0277962 -0.3235638 -0.3898040 -0.3342508 -1.1457675 0.3772577 -0.3013130 0.3868047 -1.2584178 10 Br -1.0277962 0.3235638 0.3898040 0.3342508 -1.1457675 0.3772577 0.3013130 0.3868047 -1.2584178 11 Br -1.0277962 0.3235638 -0.3898040 0.3342508 -1.1457675 -0.3772577 -0.3013130 -0.3868047 -1.2584178 12 Br -1.0277962 -0.3235638 0.3898040 -0.3342508 -1.1457675 -0.3772577 0.3013130 -0.3868047 -1.2584178 13 Br -1.0277962 -0.3235638 -0.3898040 -0.3342508 -1.1457675 0.3772577 -0.3013130 0.3868047 -1.2584178 14 Br -1.0277962 0.3235638 0.3898040 0.3342508 -1.1457675 0.3772577 0.3013130 0.3868047 -1.2584178 15 Br -1.0277962 0.3235638 -0.3898040 0.3342508 -1.1457675 -0.3772577 -0.3013130 -0.3868047 -1.2584178 16 Br -1.0277962 -0.3235638 0.3898040 -0.3342508 -1.1457675 -0.3772577 0.3013130 -0.3868047 -1.2584178 17 Br -1.6354872 0.1209470 0.5735531 0.0816391 -1.2112754 -0.2243968 0.4982833 -0.1680490 -0.7032750 18 Br -1.6354872 -0.1209470 -0.5735531 -0.0816391 -1.2112754 -0.2243968 -0.4982833 -0.1680490 -0.7032750 19 Br -1.6354872 -0.1209470 0.5735531 -0.0816391 -1.2112754 0.2243968 0.4982833 0.1680490 -0.7032750 20 Br -1.6354872 0.1209470 -0.5735531 0.0816391 -1.2112754 0.2243968 -0.4982833 0.1680490 -0.7032750 21 Br -1.6354872 0.1209470 0.5735531 0.0816391 -1.2112754 -0.2243968 0.4982833 -0.1680490 -0.7032750 22 Br -1.6354872 -0.1209470 -0.5735531 -0.0816391 -1.2112754 -0.2243968 -0.4982833 -0.1680490 -0.7032750 23 Br -1.6354872 -0.1209470 0.5735531 -0.0816391 -1.2112754 0.2243968 0.4982833 0.1680490 -0.7032750 24 Br -1.6354872 0.1209470 -0.5735531 0.0816391 -1.2112754 0.2243968 -0.4982833 0.1680490 -0.7032750----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 7 5 5 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 307, Lambda: 0.10Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/36) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36Calculating 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 0.541 ( 0.000 0.000 0.000) 0.000 0.810 ( 0.000 0.000 0.000) 0.000 0.822 ( 0.000 0.000 0.000) 0.000 0.857 ( 0.000 0.000 0.000) 0.000 0.994 ( 0.000 0.000 0.000) 0.000 1.003 ( 0.000 0.000 0.000) 0.000 1.045 ( 0.000 0.000 0.000) 0.000 1.122 ( 0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.204 ( 0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.250 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.327 ( 0.000 0.000 0.000) 0.000 1.412 ( 0.000 0.000 0.000) 0.000 1.420 ( 0.000 0.000 0.000) 0.000 1.432 ( 0.000 0.000 0.000) 0.000 1.471 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 1.813 ( 0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 1.851 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.212 ( 0.000 0.000 0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.894 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.063 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 5.926 ( 0.000 0.000 0.000) 0.000 7.436 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.092 ( 0.000 0.000 0.000) 0.000 8.138 ( 0.000 0.000 0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/36) =======================q-point: ( 0.14 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.197 ( 10.951 0.000 0.000) 10.951 0.244 ( 12.165 0.000 0.000) 12.165 0.433 ( 21.196 0.000 0.000) 21.196 0.591 ( 4.461 0.000 0.000) 4.461 0.827 ( 1.358 0.000 0.000) 1.358 0.877 ( 5.236 0.000 0.000) 5.236 0.903 ( 2.893 0.000 0.000) 2.893 1.000 ( 1.953 0.000 0.000) 1.953 1.027 ( 3.381 0.000 0.000) 3.381 1.082 ( 2.753 0.000 0.000) 2.753 1.125 ( 0.761 0.000 0.000) 0.761 1.147 ( 1.455 0.000 0.000) 1.455 1.177 ( -2.462 0.000 0.000) 2.462 1.218 ( -2.292 0.000 0.000) 2.292 1.230 ( 3.792 0.000 0.000) 3.792 1.300 ( 5.022 0.000 0.000) 5.022 1.314 ( 0.255 0.000 0.000) 0.255 1.350 ( 1.197 0.000 0.000) 1.197 1.355 ( -3.458 0.000 0.000) 3.458 1.433 ( -0.051 0.000 0.000) 0.051 1.463 ( 2.481 0.000 0.000) 2.481 1.510 ( 4.022 0.000 0.000) 4.022 1.568 ( -5.150 0.000 0.000) 5.150 1.659 ( 0.128 0.000 0.000) 0.128 1.737 ( -0.865 0.000 0.000) 0.865 1.790 ( -0.307 0.000 0.000) 0.307 1.793 ( -2.989 0.000 0.000) 2.989 1.798 ( 1.581 0.000 0.000) 1.581 1.810 ( -0.063 0.000 0.000) 0.063 1.838 ( 0.268 0.000 0.000) 0.268 1.846 ( 0.843 0.000 0.000) 0.843 1.904 ( 2.613 0.000 0.000) 2.613 1.946 ( -1.657 0.000 0.000) 1.657 1.965 ( 0.192 0.000 0.000) 0.192 2.055 ( -1.100 0.000 0.000) 1.100 2.082 ( 0.793 0.000 0.000) 0.793 2.098 ( 1.263 0.000 0.000) 1.263 2.193 ( -1.445 0.000 0.000) 1.445 2.305 ( -1.551 0.000 0.000) 1.551 2.552 ( -3.122 0.000 0.000) 3.122 2.567 ( -4.276 0.000 0.000) 4.276 2.577 ( -3.652 0.000 0.000) 3.652 2.713 ( 0.852 0.000 0.000) 0.852 2.722 ( 2.349 0.000 0.000) 2.349 2.761 ( -2.142 0.000 0.000) 2.142 2.762 ( -1.126 0.000 0.000) 1.126 2.868 ( 0.825 0.000 0.000) 0.825 2.907 ( 0.892 0.000 0.000) 0.892 2.950 ( 0.101 0.000 0.000) 0.101 2.993 ( -3.623 0.000 0.000) 3.623 3.014 ( -2.626 0.000 0.000) 2.626 3.081 ( 1.110 0.000 0.000) 1.110 3.089 ( 0.464 0.000 0.000) 0.464 3.101 ( -0.954 0.000 0.000) 0.954 3.293 ( -0.608 0.000 0.000) 0.608 3.406 ( -0.810 0.000 0.000) 0.810 5.867 ( -0.460 0.000 0.000) 0.460 5.905 ( -0.524 0.000 0.000) 0.524 5.913 ( -0.384 0.000 0.000) 0.384 5.917 ( -0.877 0.000 0.000) 0.877 7.456 ( 1.944 0.000 0.000) 1.944 7.508 ( 0.875 0.000 0.000) 0.875 7.517 ( 1.163 0.000 0.000) 1.163 7.650 ( -1.717 0.000 0.000) 1.717 7.690 ( -0.118 0.000 0.000) 0.118 7.719 ( 0.178 0.000 0.000) 0.178 7.958 ( -2.792 0.000 0.000) 2.792 7.967 ( -1.751 0.000 0.000) 1.751 8.102 ( 0.970 0.000 0.000) 0.970 8.141 ( 0.254 0.000 0.000) 0.254 8.303 ( 2.949 0.000 0.000) 2.949 8.601 ( -0.936 0.000 0.000) 0.936======================= Grid point 2 (3/36) =======================q-point: ( 0.29 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.414 ( 11.148 0.000 0.000) 11.148 0.461 ( 10.226 0.000 0.000) 10.226 0.683 ( 4.415 0.000 0.000) 4.415 0.789 ( 15.147 0.000 0.000) 15.147 0.840 ( -0.463 0.000 0.000) 0.463 0.937 ( 1.735 0.000 0.000) 1.735 1.000 ( 6.640 0.000 0.000) 6.640 1.073 ( 3.473 0.000 0.000) 3.473 1.117 ( -3.369 0.000 0.000) 3.369 1.120 ( 5.881 0.000 0.000) 5.881 1.140 ( 2.817 0.000 0.000) 2.817 1.166 ( 4.040 0.000 0.000) 4.040 1.169 ( -0.124 0.000 0.000) 0.124 1.196 ( -0.737 0.000 0.000) 0.737 1.295 ( -1.170 0.000 0.000) 1.170 1.305 ( 3.476 0.000 0.000) 3.476 1.311 ( -1.201 0.000 0.000) 1.201 1.379 ( 3.021 0.000 0.000) 3.021 1.412 ( 5.681 0.000 0.000) 5.681 1.433 ( 0.538 0.000 0.000) 0.538 1.447 ( -6.773 0.000 0.000) 6.773 1.483 ( -1.718 0.000 0.000) 1.718 1.617 ( 6.743 0.000 0.000) 6.743 1.683 ( -4.335 0.000 0.000) 4.335 1.701 ( -2.957 0.000 0.000) 2.957 1.701 ( 1.469 0.000 0.000) 1.469 1.790 ( 0.599 0.000 0.000) 0.599 1.808 ( -0.440 0.000 0.000) 0.440 1.820 ( 0.967 0.000 0.000) 0.967 1.861 ( 1.166 0.000 0.000) 1.166 1.877 ( 1.348 0.000 0.000) 1.348 1.929 ( 0.909 0.000 0.000) 0.909 1.945 ( 1.168 0.000 0.000) 1.168 1.978 ( 1.504 0.000 0.000) 1.504 2.031 ( -1.097 0.000 0.000) 1.097 2.096 ( 0.490 0.000 0.000) 0.490 2.112 ( -0.352 0.000 0.000) 0.352 2.181 ( 0.525 0.000 0.000) 0.525 2.240 ( -5.307 0.000 0.000) 5.307 2.459 ( -6.584 0.000 0.000) 6.584 2.469 ( -5.241 0.000 0.000) 5.241 2.477 ( -5.920 0.000 0.000) 5.920 2.725 ( 0.218 0.000 0.000) 0.218 2.727 ( -1.172 0.000 0.000) 1.172 2.751 ( 0.410 0.000 0.000) 0.410 2.781 ( 3.570 0.000 0.000) 3.570 2.873 ( -1.053 0.000 0.000) 1.053 2.921 ( -3.319 0.000 0.000) 3.319 2.937 ( 2.473 0.000 0.000) 2.473 2.945 ( -0.820 0.000 0.000) 0.820 2.954 ( -3.335 0.000 0.000) 3.335 3.075 ( -1.721 0.000 0.000) 1.721 3.094 ( 0.133 0.000 0.000) 0.133 3.098 ( 0.620 0.000 0.000) 0.620 3.286 ( 0.152 0.000 0.000) 0.152 3.382 ( -1.661 0.000 0.000) 1.661 5.860 ( -0.152 0.000 0.000) 0.152 5.892 ( -0.695 0.000 0.000) 0.695 5.897 ( -1.033 0.000 0.000) 1.033 5.901 ( -0.862 0.000 0.000) 0.862 7.499 ( 2.227 0.000 0.000) 2.227 7.524 ( 0.715 0.000 0.000) 0.715 7.541 ( 1.017 0.000 0.000) 1.017 7.608 ( -2.432 0.000 0.000) 2.432 7.697 ( 1.028 0.000 0.000) 1.028 7.735 ( 1.693 0.000 0.000) 1.693 7.888 ( -4.229 0.000 0.000) 4.229 7.920 ( -3.116 0.000 0.000) 3.116 8.124 ( 1.208 0.000 0.000) 1.208 8.147 ( 0.322 0.000 0.000) 0.322 8.377 ( 4.369 0.000 0.000) 4.369 8.575 ( -1.852 0.000 0.000) 1.852======================= Grid point 3 (4/36) =======================q-point: ( 0.43 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.602 ( 7.275 0.000 0.000) 7.275 0.620 ( 5.302 0.000 0.000) 5.302 0.743 ( 1.905 0.000 0.000) 1.905 0.798 ( -3.673 0.000 0.000) 3.673 0.985 ( 3.056 0.000 0.000) 3.056 1.004 ( 6.742 0.000 0.000) 6.742 1.057 ( -2.118 0.000 0.000) 2.118 1.096 ( 3.041 0.000 0.000) 3.041 1.104 ( -0.962 0.000 0.000) 0.962 1.137 ( -2.059 0.000 0.000) 2.059 1.160 ( -0.126 0.000 0.000) 0.126 1.175 ( -1.291 0.000 0.000) 1.291 1.225 ( 4.367 0.000 0.000) 4.367 1.273 ( -1.741 0.000 0.000) 1.741 1.299 ( 8.041 0.000 0.000) 8.041 1.317 ( 1.418 0.000 0.000) 1.418 1.336 ( -1.110 0.000 0.000) 1.110 1.368 ( 1.869 0.000 0.000) 1.869 1.407 ( -5.010 0.000 0.000) 5.010 1.455 ( 3.277 0.000 0.000) 3.277 1.462 ( 1.758 0.000 0.000) 1.758 1.513 ( 5.219 0.000 0.000) 5.219 1.516 ( -9.917 0.000 0.000) 9.917 1.621 ( -5.266 0.000 0.000) 5.266 1.733 ( 3.796 0.000 0.000) 3.796 1.784 ( -2.071 0.000 0.000) 2.071 1.801 ( 4.704 0.000 0.000) 4.704 1.838 ( 0.643 0.000 0.000) 0.643 1.846 ( 6.095 0.000 0.000) 6.095 1.865 ( -0.343 0.000 0.000) 0.343 1.875 ( -1.311 0.000 0.000) 1.311 1.942 ( -2.017 0.000 0.000) 2.017 1.998 ( 5.509 0.000 0.000) 5.509 2.022 ( 2.699 0.000 0.000) 2.699 2.026 ( 1.082 0.000 0.000) 1.082 2.078 ( -2.810 0.000 0.000) 2.810 2.087 ( -2.303 0.000 0.000) 2.303 2.105 ( -7.054 0.000 0.000) 7.054 2.228 ( 3.890 0.000 0.000) 3.890 2.330 ( -6.363 0.000 0.000) 6.363 2.378 ( -2.989 0.000 0.000) 2.989 2.383 ( -3.171 0.000 0.000) 3.171 2.715 ( -0.118 0.000 0.000) 0.118 2.720 ( -0.534 0.000 0.000) 0.534 2.780 ( 2.356 0.000 0.000) 2.356 2.830 ( -2.271 0.000 0.000) 2.271 2.855 ( 3.168 0.000 0.000) 3.168 2.882 ( -0.548 0.000 0.000) 0.548 2.898 ( -2.084 0.000 0.000) 2.084 2.913 ( -2.449 0.000 0.000) 2.449 2.990 ( 2.709 0.000 0.000) 2.709 3.037 ( -2.218 0.000 0.000) 2.218 3.098 ( 0.315 0.000 0.000) 0.315 3.103 ( -0.097 0.000 0.000) 0.097 3.305 ( 1.679 0.000 0.000) 1.679 3.344 ( -2.183 0.000 0.000) 2.183 5.864 ( 0.631 0.000 0.000) 0.631 5.881 ( -0.324 0.000 0.000) 0.324 5.882 ( -1.070 0.000 0.000) 1.070 5.882 ( -0.440 0.000 0.000) 0.440 7.534 ( 1.326 0.000 0.000) 1.326 7.538 ( 0.911 0.000 0.000) 0.911 7.549 ( -0.196 0.000 0.000) 0.196 7.565 ( -1.894 0.000 0.000) 1.894 7.735 ( 2.960 0.000 0.000) 2.960 7.784 ( 3.233 0.000 0.000) 3.233 7.805 ( -4.138 0.000 0.000) 4.138 7.852 ( -3.693 0.000 0.000) 3.693 8.143 ( 0.713 0.000 0.000) 0.713 8.150 ( -0.024 0.000 0.000) 0.024 8.461 ( 4.083 0.000 0.000) 4.083 8.529 ( -2.957 0.000 0.000) 2.957======================= Grid point 7 (5/36) =======================q-point: ( 0.00 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.194 ( 0.000 9.603 0.000) 9.603 0.269 ( 0.000 12.744 0.000) 12.744 0.426 ( 0.000 19.764 0.000) 19.764 0.604 ( 0.000 4.189 0.000) 4.189 0.801 ( 0.000 -2.461 0.000) 2.461 0.876 ( 0.000 1.662 0.000) 1.662 0.906 ( 0.000 0.765 0.000) 0.765 0.943 ( 0.000 0.769 0.000) 0.769 1.027 ( 0.000 -7.582 0.000) 7.582 1.066 ( 0.000 1.954 0.000) 1.954 1.072 ( 0.000 1.785 0.000) 1.785 1.111 ( 0.000 -1.086 0.000) 1.086 1.164 ( 0.000 -3.075 0.000) 3.075 1.190 ( 0.000 0.113 0.000) 0.113 1.201 ( 0.000 -3.767 0.000) 3.767 1.295 ( 0.000 -1.761 0.000) 1.761 1.300 ( 0.000 -3.024 0.000) 3.024 1.310 ( 0.000 -9.189 0.000) 9.189 1.352 ( 0.000 0.167 0.000) 0.167 1.418 ( 0.000 7.171 0.000) 7.171 1.427 ( 0.000 -0.139 0.000) 0.139 1.536 ( 0.000 3.419 0.000) 3.419 1.593 ( 0.000 0.338 0.000) 0.338 1.657 ( 0.000 1.516 0.000) 1.516 1.711 ( 0.000 -1.629 0.000) 1.629 1.751 ( 0.000 -0.072 0.000) 0.072 1.769 ( 0.000 0.051 0.000) 0.051 1.789 ( 0.000 -1.712 0.000) 1.712 1.810 ( 0.000 1.765 0.000) 1.765 1.888 ( 0.000 -5.842 0.000) 5.842 1.894 ( 0.000 1.240 0.000) 1.240 1.954 ( 0.000 -1.041 0.000) 1.041 1.955 ( 0.000 6.871 0.000) 6.871 2.028 ( 0.000 0.113 0.000) 0.113 2.060 ( 0.000 -0.605 0.000) 0.605 2.068 ( 0.000 -0.175 0.000) 0.175 2.150 ( 0.000 5.158 0.000) 5.158 2.178 ( 0.000 -2.734 0.000) 2.734 2.282 ( 0.000 -2.984 0.000) 2.984 2.409 ( 0.000 -0.668 0.000) 0.668 2.599 ( 0.000 1.231 0.000) 1.231 2.652 ( 0.000 -3.672 0.000) 3.672 2.663 ( 0.000 -4.084 0.000) 4.084 2.709 ( 0.000 -0.845 0.000) 0.845 2.809 ( 0.000 3.978 0.000) 3.978 2.832 ( 0.000 1.750 0.000) 1.750 2.844 ( 0.000 2.842 0.000) 2.842 2.917 ( 0.000 1.755 0.000) 1.755 2.938 ( 0.000 -0.386 0.000) 0.386 3.027 ( 0.000 -1.492 0.000) 1.492 3.057 ( 0.000 1.227 0.000) 1.227 3.085 ( 0.000 -0.175 0.000) 0.175 3.114 ( 0.000 1.116 0.000) 1.116 3.141 ( 0.000 2.694 0.000) 2.694 3.279 ( 0.000 -2.081 0.000) 2.081 3.303 ( 0.000 -1.305 0.000) 1.305 5.877 ( 0.000 0.438 0.000) 0.438 5.911 ( 0.000 0.086 0.000) 0.086 5.916 ( 0.000 -0.020 0.000) 0.020 5.921 ( 0.000 -0.529 0.000) 0.529 7.497 ( 0.000 -0.017 0.000) 0.017 7.503 ( 0.000 -0.123 0.000) 0.123 7.610 ( 0.000 0.237 0.000) 0.237 7.637 ( 0.000 -0.359 0.000) 0.359 7.692 ( 0.000 2.358 0.000) 2.358 7.697 ( 0.000 0.387 0.000) 0.387 7.718 ( 0.000 -0.119 0.000) 0.119 7.943 ( 0.000 -3.807 0.000) 3.807 8.110 ( 0.000 1.708 0.000) 1.708 8.257 ( 0.000 -1.588 0.000) 1.588 8.337 ( 0.000 2.028 0.000) 2.028 8.438 ( 0.000 -0.737 0.000) 0.737======================= Grid point 8 (6/36) =======================q-point: ( 0.14 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.277 ( 7.914 6.775 0.000) 10.418 0.368 ( 7.430 9.247 0.000) 11.862 0.563 ( 12.336 10.824 0.000) 16.411 0.636 ( 2.973 3.015 0.000) 4.235 0.823 ( 2.356 -3.400 0.000) 4.136 0.881 ( -0.021 3.252 0.000) 3.252 0.929 ( 4.091 1.838 0.000) 4.485 0.998 ( 5.283 0.783 0.000) 5.341 1.038 ( 1.351 -5.901 0.000) 6.053 1.058 ( 1.252 1.823 0.000) 2.212 1.104 ( 0.753 0.503 0.000) 0.906 1.122 ( 1.986 0.347 0.000) 2.016 1.157 ( -3.478 -4.021 0.000) 5.316 1.175 ( 0.111 -3.160 0.000) 3.162 1.225 ( 3.298 -0.604 0.000) 3.353 1.259 ( -0.609 -4.183 0.000) 4.227 1.325 ( 1.581 -7.430 0.000) 7.596 1.338 ( 0.505 0.627 0.000) 0.805 1.364 ( 0.389 -0.664 0.000) 0.769 1.392 ( 1.434 5.767 0.000) 5.943 1.455 ( 2.698 0.346 0.000) 2.720 1.554 ( 2.181 3.356 0.000) 4.002 1.611 ( -4.269 2.278 0.000) 4.839 1.673 ( 4.611 -1.648 0.000) 4.897 1.704 ( -2.670 0.534 0.000) 2.723 1.715 ( 0.532 -1.901 0.000) 1.974 1.782 ( 0.353 -0.003 0.000) 0.353 1.813 ( 1.648 -1.347 0.000) 2.128 1.814 ( 0.727 1.403 0.000) 1.580 1.891 ( -0.319 0.911 0.000) 0.965 1.897 ( 0.265 -2.575 0.000) 2.589 1.954 ( -0.112 -0.461 0.000) 0.475 1.961 ( 0.889 4.727 0.000) 4.810 2.003 ( -7.312 7.510 0.000) 10.482 2.051 ( -0.293 -0.474 0.000) 0.557 2.081 ( 0.923 0.156 0.000) 0.936 2.083 ( -0.462 -0.622 0.000) 0.775 2.170 ( -0.577 -1.957 0.000) 2.040 2.270 ( -1.503 -2.981 0.000) 3.339 2.435 ( 0.157 -6.859 0.000) 6.860 2.573 ( -2.564 1.718 0.000) 3.086 2.579 ( -4.973 -1.257 0.000) 5.129 2.661 ( 0.097 -3.851 0.000) 3.852 2.701 ( -0.722 -1.450 0.000) 1.620 2.806 ( -0.253 3.968 0.000) 3.976 2.808 ( -0.941 2.816 0.000) 2.969 2.880 ( 1.841 0.846 0.000) 2.027 2.911 ( -0.347 1.470 0.000) 1.511 2.935 ( -0.364 -0.506 0.000) 0.623 3.010 ( -1.810 -1.392 0.000) 2.283 3.018 ( -3.215 1.312 0.000) 3.473 3.076 ( -0.912 -0.659 0.000) 1.125 3.122 ( 0.298 1.491 0.000) 1.521 3.138 ( -0.445 3.790 0.000) 3.816 3.271 ( -0.624 -2.066 0.000) 2.158 3.343 ( 1.437 -3.810 0.000) 4.072 5.871 ( -0.488 0.415 0.000) 0.640 5.906 ( -0.525 0.087 0.000) 0.532 5.912 ( -0.817 -0.475 0.000) 0.945 5.913 ( -0.402 -0.037 0.000) 0.403 7.505 ( 0.804 -0.031 0.000) 0.805 7.521 ( 1.619 0.131 0.000) 1.624 7.524 ( -0.526 4.528 0.000) 4.558 7.675 ( -1.711 2.348 0.000) 2.905 7.690 ( -0.593 0.081 0.000) 0.598 7.717 ( 0.047 -0.240 0.000) 0.245 7.812 ( 5.312 -7.657 0.000) 9.319 7.920 ( -2.211 -3.560 0.000) 4.191 8.123 ( 1.256 1.958 0.000) 2.326 8.260 ( -3.556 5.876 0.000) 6.868 8.285 ( 2.789 -1.736 0.000) 3.285 8.509 ( 2.538 -5.119 0.000) 5.714======================= Grid point 9 (7/36) =======================q-point: ( 0.29 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.463 ( 10.547 4.476 0.000) 11.457 0.526 ( 8.457 5.257 0.000) 9.958 0.700 ( 3.189 1.255 0.000) 3.427 0.780 ( 7.556 1.760 0.000) 7.759 0.881 ( 3.333 -3.224 0.000) 4.637 0.911 ( 2.691 3.945 0.000) 4.775 1.012 ( 4.218 -0.909 0.000) 4.315 1.053 ( -1.358 -4.953 0.000) 5.136 1.075 ( 2.656 0.323 0.000) 2.676 1.104 ( -0.329 -0.328 0.000) 0.465 1.110 ( 0.203 -4.612 0.000) 4.617 1.143 ( 5.454 0.124 0.000) 5.456 1.169 ( -0.873 -1.503 0.000) 1.738 1.180 ( 4.180 -0.145 0.000) 4.182 1.256 ( 0.241 -3.313 0.000) 3.322 1.296 ( 3.420 -0.619 0.000) 3.476 1.336 ( -2.497 0.736 0.000) 2.603 1.378 ( 4.214 -2.259 0.000) 4.781 1.380 ( 4.045 0.718 0.000) 4.109 1.427 ( 1.146 1.538 0.000) 1.918 1.511 ( -5.479 4.032 0.000) 6.803 1.530 ( 2.859 3.256 0.000) 4.333 1.613 ( 4.798 -1.410 0.000) 5.000 1.673 ( 0.071 1.205 0.000) 1.207 1.722 ( -0.853 0.661 0.000) 1.079 1.765 ( 4.731 1.462 0.000) 4.952 1.776 ( -0.057 -1.298 0.000) 1.299 1.822 ( -8.392 5.484 0.000) 10.025 1.832 ( 0.496 0.385 0.000) 0.628 1.852 ( 1.149 -0.670 0.000) 1.330 1.882 ( -0.880 0.011 0.000) 0.880 1.909 ( 1.066 -1.481 0.000) 1.825 1.962 ( 1.432 -0.782 0.000) 1.632 1.975 ( 0.105 2.062 0.000) 2.065 2.046 ( -0.448 0.917 0.000) 1.021 2.085 ( 0.129 -2.160 0.000) 2.164 2.090 ( -0.152 -0.251 0.000) 0.293 2.169 ( 0.505 -1.137 0.000) 1.244 2.215 ( -4.208 -2.116 0.000) 4.710 2.385 ( -4.994 -6.422 0.000) 8.136 2.491 ( -4.003 1.195 0.000) 4.177 2.506 ( -4.048 3.212 0.000) 5.168 2.669 ( 0.598 -3.841 0.000) 3.887 2.689 ( -0.346 -2.126 0.000) 2.154 2.800 ( -0.289 2.943 0.000) 2.957 2.808 ( 1.238 2.037 0.000) 2.384 2.891 ( -0.699 1.460 0.000) 1.619 2.921 ( -1.129 0.374 0.000) 1.189 2.930 ( 2.316 -0.313 0.000) 2.337 2.955 ( -2.944 0.468 0.000) 2.981 2.958 ( -3.456 -0.599 0.000) 3.507 3.052 ( -1.572 -1.118 0.000) 1.929 3.121 ( -0.247 1.658 0.000) 1.676 3.127 ( -0.538 2.676 0.000) 2.730 3.263 ( 0.012 -2.134 0.000) 2.134 3.342 ( -1.149 -3.334 0.000) 3.526 5.863 ( -0.221 0.325 0.000) 0.393 5.893 ( -0.721 0.076 0.000) 0.725 5.894 ( -0.939 -0.334 0.000) 0.997 5.901 ( -0.842 -0.051 0.000) 0.844 7.523 ( 0.939 0.294 0.000) 0.984 7.540 ( 1.285 3.526 0.000) 3.753 7.557 ( 1.818 0.974 0.000) 2.063 7.633 ( -2.386 2.388 0.000) 3.376 7.683 ( 0.173 -0.951 0.000) 0.967 7.727 ( 1.227 -0.802 0.000) 1.466 7.833 ( -2.252 -4.945 0.000) 5.434 7.872 ( -2.393 -3.348 0.000) 4.115 8.153 ( 1.677 2.603 0.000) 3.096 8.218 ( -1.222 5.265 0.000) 5.405 8.354 ( 4.089 -2.133 0.000) 4.612 8.522 ( -0.726 -4.353 0.000) 4.413======================= Grid point 10 (8/36) =======================q-point: ( 0.43 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( 8.011 4.564 0.000) 9.220 0.667 ( 5.330 3.830 0.000) 6.564 0.744 ( 1.333 0.312 0.000) 1.369 0.809 ( -3.400 1.543 0.000) 3.734 0.945 ( 3.231 -3.158 0.000) 4.518 0.970 ( 2.799 -1.708 0.000) 3.279 1.006 ( -2.806 -4.140 0.000) 5.001 1.037 ( -3.699 -4.153 0.000) 5.561 1.085 ( 2.996 -1.840 0.000) 3.516 1.132 ( -1.076 -2.736 0.000) 2.940 1.156 ( 1.746 -0.281 0.000) 1.768 1.158 ( 2.966 2.484 0.000) 3.869 1.221 ( 3.072 -3.046 0.000) 4.326 1.263 ( -0.246 -2.220 0.000) 2.234 1.265 ( 2.406 -3.070 0.000) 3.901 1.285 ( -2.273 -1.438 0.000) 2.690 1.348 ( 2.659 0.611 0.000) 2.728 1.407 ( -2.794 0.851 0.000) 2.921 1.441 ( 0.635 1.873 0.000) 1.978 1.465 ( 2.346 0.013 0.000) 2.346 1.477 ( 4.479 6.041 0.000) 7.521 1.549 ( -0.995 4.943 0.000) 5.042 1.622 ( -3.622 5.703 0.000) 6.756 1.667 ( -4.251 3.252 0.000) 5.352 1.744 ( 1.799 1.421 0.000) 2.293 1.753 ( 7.077 -3.173 0.000) 7.756 1.778 ( -0.693 -0.877 0.000) 1.118 1.823 ( -1.166 -0.806 0.000) 1.418 1.831 ( 1.262 -1.142 0.000) 1.702 1.856 ( -1.619 -1.576 0.000) 2.260 1.883 ( 2.768 1.277 0.000) 3.048 1.950 ( -2.655 1.055 0.000) 2.857 1.955 ( 3.342 -1.823 0.000) 3.807 2.008 ( 1.692 -0.675 0.000) 1.822 2.047 ( -0.081 -0.080 0.000) 0.114 2.052 ( -3.983 -2.158 0.000) 4.530 2.095 ( 1.592 1.041 0.000) 1.902 2.135 ( -2.345 0.784 0.000) 2.472 2.194 ( 2.043 -2.698 0.000) 3.384 2.272 ( -5.796 -4.883 0.000) 7.578 2.433 ( -1.771 3.927 0.000) 4.308 2.437 ( -2.392 4.964 0.000) 5.510 2.679 ( 0.461 -2.776 0.000) 2.814 2.686 ( -0.189 -2.433 0.000) 2.440 2.807 ( 1.495 1.703 0.000) 2.266 2.846 ( 1.000 0.512 0.000) 1.124 2.865 ( -1.164 1.257 0.000) 1.713 2.899 ( -0.836 1.646 0.000) 1.847 2.901 ( -1.332 0.247 0.000) 1.355 2.906 ( -2.460 -0.882 0.000) 2.613 2.977 ( 2.317 -1.102 0.000) 2.566 3.018 ( -1.928 -1.395 0.000) 2.380 3.117 ( -0.058 1.543 0.000) 1.544 3.120 ( -0.272 1.619 0.000) 1.642 3.277 ( 1.374 -2.518 0.000) 2.868 3.310 ( -1.915 -2.980 0.000) 3.542 5.866 ( 0.536 0.167 0.000) 0.561 5.881 ( -0.491 -0.081 0.000) 0.497 5.881 ( -0.488 -0.082 0.000) 0.495 5.883 ( -0.755 0.028 0.000) 0.756 7.541 ( 0.944 0.858 0.000) 1.276 7.555 ( -0.080 1.922 0.000) 1.924 7.581 ( 0.658 2.386 0.000) 2.475 7.594 ( -1.256 2.773 0.000) 3.044 7.708 ( 2.415 -2.415 0.000) 3.416 7.765 ( 2.629 -1.720 0.000) 3.141 7.769 ( -3.636 -3.311 0.000) 4.917 7.821 ( -2.937 -2.675 0.000) 3.973 8.182 ( 1.263 3.417 0.000) 3.643 8.201 ( -0.767 4.270 0.000) 4.339 8.432 ( 3.703 -2.700 0.000) 4.582 8.491 ( -2.403 -3.414 0.000) 4.175======================= Grid point 14 (9/36) =======================q-point: ( 0.00 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.391 ( 0.000 9.518 0.000) 9.518 0.515 ( 0.000 11.232 0.000) 11.232 0.570 ( 0.000 -7.243 0.000) 7.243 0.695 ( 0.000 -1.890 0.000) 1.890 0.841 ( 0.000 5.888 0.000) 5.888 0.896 ( 0.000 8.281 0.000) 8.281 0.907 ( 0.000 0.448 0.000) 0.448 0.993 ( 0.000 2.995 0.000) 2.995 1.015 ( 0.000 3.940 0.000) 3.940 1.068 ( 0.000 -3.415 0.000) 3.415 1.081 ( 0.000 0.091 0.000) 0.091 1.090 ( 0.000 -5.294 0.000) 5.294 1.115 ( 0.000 -4.952 0.000) 4.952 1.121 ( 0.000 2.610 0.000) 2.610 1.131 ( 0.000 -6.120 0.000) 6.120 1.174 ( 0.000 -1.875 0.000) 1.875 1.221 ( 0.000 -3.961 0.000) 3.961 1.222 ( 0.000 -3.099 0.000) 3.099 1.366 ( 0.000 1.166 0.000) 1.166 1.397 ( 0.000 -1.884 0.000) 1.884 1.574 ( 0.000 5.470 0.000) 5.470 1.598 ( 0.000 4.269 0.000) 4.269 1.605 ( 0.000 0.098 0.000) 0.098 1.673 ( 0.000 0.446 0.000) 0.446 1.686 ( 0.000 -0.942 0.000) 0.942 1.733 ( 0.000 -5.477 0.000) 5.477 1.752 ( 0.000 0.274 0.000) 0.274 1.774 ( 0.000 -2.991 0.000) 2.991 1.813 ( 0.000 3.842 0.000) 3.842 1.858 ( 0.000 2.720 0.000) 2.720 1.886 ( 0.000 -2.377 0.000) 2.377 1.915 ( 0.000 -2.678 0.000) 2.678 2.033 ( 0.000 0.371 0.000) 0.371 2.045 ( 0.000 -0.745 0.000) 0.745 2.081 ( 0.000 1.491 0.000) 1.491 2.091 ( 0.000 6.111 0.000) 6.111 2.123 ( 0.000 -2.337 0.000) 2.337 2.203 ( 0.000 -4.648 0.000) 4.648 2.269 ( 0.000 6.010 0.000) 6.010 2.372 ( 0.000 -3.442 0.000) 3.442 2.587 ( 0.000 -1.709 0.000) 1.709 2.596 ( 0.000 -2.198 0.000) 2.198 2.629 ( 0.000 1.775 0.000) 1.775 2.671 ( 0.000 -2.261 0.000) 2.261 2.870 ( 0.000 1.537 0.000) 1.537 2.881 ( 0.000 0.670 0.000) 0.670 2.902 ( 0.000 3.750 0.000) 3.750 2.937 ( 0.000 -0.144 0.000) 0.144 2.953 ( 0.000 1.746 0.000) 1.746 2.991 ( 0.000 -1.943 0.000) 1.943 3.069 ( 0.000 -0.036 0.000) 0.036 3.071 ( 0.000 -0.591 0.000) 0.591 3.158 ( 0.000 2.803 0.000) 2.803 3.204 ( 0.000 3.218 0.000) 3.218 3.222 ( 0.000 -3.212 0.000) 3.212 3.264 ( 0.000 -2.488 0.000) 2.488 5.889 ( 0.000 0.772 0.000) 0.772 5.906 ( 0.000 -0.825 0.000) 0.825 5.913 ( 0.000 0.124 0.000) 0.124 5.915 ( 0.000 -0.083 0.000) 0.083 7.498 ( 0.000 0.072 0.000) 0.072 7.500 ( 0.000 -0.159 0.000) 0.159 7.617 ( 0.000 0.443 0.000) 0.443 7.627 ( 0.000 -0.516 0.000) 0.516 7.706 ( 0.000 0.447 0.000) 0.447 7.714 ( 0.000 -0.276 0.000) 0.276 7.759 ( 0.000 4.059 0.000) 4.059 7.851 ( 0.000 -4.760 0.000) 4.760 8.156 ( 0.000 2.685 0.000) 2.685 8.212 ( 0.000 -2.616 0.000) 2.616 8.381 ( 0.000 2.015 0.000) 2.015 8.416 ( 0.000 -1.412 0.000) 1.412======================= Grid point 15 (10/36) =======================q-point: ( 0.14 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.438 ( 4.996 8.374 0.000) 9.751 0.567 ( 4.239 9.535 0.000) 10.435 0.599 ( 3.077 -6.604 0.000) 7.286 0.713 ( 2.729 -1.527 0.000) 3.127 0.847 ( 1.000 5.269 0.000) 5.363 0.925 ( 2.656 4.533 0.000) 5.254 0.941 ( 1.745 -2.187 0.000) 2.798 0.997 ( -1.107 1.309 0.000) 1.714 1.024 ( 2.832 2.103 0.000) 3.527 1.074 ( -2.541 -3.254 0.000) 4.129 1.077 ( 0.557 -2.198 0.000) 2.267 1.100 ( 2.392 2.012 0.000) 3.126 1.113 ( 1.014 -4.195 0.000) 4.316 1.136 ( 1.129 -0.265 0.000) 1.159 1.195 ( 5.399 -2.061 0.000) 5.779 1.207 ( 1.080 1.722 0.000) 2.033 1.209 ( 4.851 -2.361 0.000) 5.395 1.312 ( 5.526 -5.869 0.000) 8.061 1.353 ( -0.046 0.827 0.000) 0.828 1.375 ( -1.845 -1.732 0.000) 2.531 1.573 ( 0.082 6.209 0.000) 6.210 1.607 ( 0.968 1.476 0.000) 1.765 1.646 ( -2.430 1.405 0.000) 2.807 1.666 ( 4.165 1.802 0.000) 4.538 1.679 ( -0.631 -1.815 0.000) 1.921 1.731 ( 0.639 0.915 0.000) 1.116 1.776 ( 0.747 -2.432 0.000) 2.544 1.797 ( 3.387 -5.338 0.000) 6.322 1.813 ( -0.045 3.248 0.000) 3.248 1.852 ( -0.669 1.817 0.000) 1.936 1.885 ( 0.060 -1.515 0.000) 1.516 1.910 ( -0.526 -2.876 0.000) 2.924 2.041 ( 0.293 -0.125 0.000) 0.319 2.048 ( -0.131 -0.653 0.000) 0.666 2.068 ( -0.727 3.970 0.000) 4.036 2.109 ( 0.409 2.777 0.000) 2.807 2.126 ( 0.624 -1.842 0.000) 1.945 2.180 ( -7.837 7.193 0.000) 10.638 2.196 ( -0.887 -4.154 0.000) 4.248 2.313 ( -4.767 -5.821 0.000) 7.524 2.564 ( -1.959 0.149 0.000) 1.965 2.591 ( -0.183 -2.558 0.000) 2.565 2.614 ( -1.459 2.201 0.000) 2.641 2.661 ( -0.978 -2.302 0.000) 2.501 2.865 ( -0.240 2.542 0.000) 2.554 2.887 ( -1.385 3.293 0.000) 3.573 2.894 ( 0.931 -0.040 0.000) 0.932 2.930 ( -0.788 -0.758 0.000) 1.093 2.940 ( -1.090 1.221 0.000) 1.637 2.971 ( -1.756 -1.974 0.000) 2.642 3.037 ( -2.536 1.134 0.000) 2.778 3.064 ( -1.178 -0.943 0.000) 1.509 3.160 ( 0.058 2.350 0.000) 2.351 3.209 ( -0.098 3.242 0.000) 3.243 3.217 ( -0.451 -2.991 0.000) 3.025 3.274 ( 0.457 -3.137 0.000) 3.170 5.883 ( -0.566 0.729 0.000) 0.923 5.899 ( -0.687 -0.764 0.000) 1.027 5.908 ( -0.501 0.153 0.000) 0.524 5.911 ( -0.449 -0.116 0.000) 0.464 7.509 ( 1.182 0.392 0.000) 1.245 7.518 ( 1.704 -0.388 0.000) 1.747 7.609 ( 0.796 3.867 0.000) 3.948 7.692 ( 3.509 -4.532 0.000) 5.732 7.697 ( -0.896 0.521 0.000) 1.037 7.708 ( -0.445 -0.549 0.000) 0.707 7.742 ( -1.725 4.013 0.000) 4.368 7.832 ( -1.840 -4.645 0.000) 4.996 8.175 ( 1.838 2.979 0.000) 3.501 8.237 ( 2.385 -2.854 0.000) 3.719 8.356 ( -1.764 3.813 0.000) 4.201 8.427 ( 0.439 -3.397 0.000) 3.425======================= Grid point 16 (11/36) =======================q-point: ( 0.29 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( 8.596 5.871 0.000) 10.409 0.659 ( 5.290 7.473 0.000) 9.156 0.682 ( 5.019 -3.856 0.000) 6.329 0.791 ( 4.094 -3.641 0.000) 5.479 0.875 ( 1.622 3.268 0.000) 3.648 0.961 ( 0.807 -3.825 0.000) 3.909 0.976 ( 0.359 -0.754 0.000) 0.835 0.990 ( 2.171 2.826 0.000) 3.563 1.027 ( -2.296 -1.242 0.000) 2.611 1.074 ( 0.816 0.270 0.000) 0.860 1.102 ( 2.202 -2.416 0.000) 3.269 1.122 ( -0.206 -5.021 0.000) 5.025 1.133 ( 1.975 2.054 0.000) 2.850 1.172 ( 2.396 -1.315 0.000) 2.733 1.234 ( 1.082 3.553 0.000) 3.714 1.302 ( 5.090 1.514 0.000) 5.311 1.322 ( -2.705 -2.753 0.000) 3.859 1.341 ( 6.528 -1.814 0.000) 6.775 1.398 ( 4.336 0.765 0.000) 4.403 1.424 ( 3.949 -1.973 0.000) 4.415 1.579 ( 1.691 2.232 0.000) 2.800 1.602 ( -1.099 4.425 0.000) 4.560 1.607 ( -0.770 0.487 0.000) 0.911 1.686 ( 1.734 -3.656 0.000) 4.046 1.729 ( 2.675 2.957 0.000) 3.988 1.771 ( 1.848 0.218 0.000) 1.861 1.795 ( -2.128 3.050 0.000) 3.719 1.815 ( 2.964 -1.382 0.000) 3.270 1.841 ( -0.364 -0.031 0.000) 0.365 1.852 ( 1.679 -3.095 0.000) 3.521 1.876 ( -1.564 -0.247 0.000) 1.583 1.909 ( 1.191 -3.327 0.000) 3.533 1.986 ( -4.770 5.954 0.000) 7.629 2.038 ( -0.817 -1.251 0.000) 1.494 2.046 ( -1.798 3.683 0.000) 4.098 2.082 ( -0.716 3.322 0.000) 3.399 2.093 ( -2.118 -0.153 0.000) 2.124 2.142 ( 0.589 -0.767 0.000) 0.967 2.166 ( -2.004 -2.341 0.000) 3.081 2.226 ( -4.248 -8.469 0.000) 9.474 2.532 ( -1.086 2.693 0.000) 2.903 2.580 ( -1.902 3.517 0.000) 3.998 2.595 ( 0.666 -3.388 0.000) 3.453 2.642 ( -0.794 -2.580 0.000) 2.699 2.856 ( -1.619 2.571 0.000) 3.038 2.859 ( -0.317 2.796 0.000) 2.814 2.907 ( -1.549 -2.140 0.000) 2.642 2.911 ( 0.357 -1.332 0.000) 1.379 2.921 ( -0.989 0.368 0.000) 1.055 2.935 ( -1.214 -0.839 0.000) 1.475 2.985 ( -2.568 2.581 0.000) 3.641 3.030 ( -2.190 -1.466 0.000) 2.636 3.158 ( -0.210 2.104 0.000) 2.115 3.193 ( -1.397 3.480 0.000) 3.750 3.209 ( -0.158 -2.800 0.000) 2.804 3.267 ( -1.160 -3.751 0.000) 3.927 5.872 ( -0.420 0.562 0.000) 0.702 5.884 ( -0.698 -0.565 0.000) 0.898 5.895 ( -0.770 0.161 0.000) 0.786 5.899 ( -0.813 -0.138 0.000) 0.825 7.539 ( 1.775 1.158 0.000) 2.119 7.562 ( 2.700 -0.700 0.000) 2.789 7.625 ( 0.267 4.561 0.000) 4.569 7.678 ( -0.857 0.709 0.000) 1.112 7.701 ( -2.192 4.085 0.000) 4.636 7.703 ( 0.125 -1.427 0.000) 1.432 7.725 ( -0.433 -5.197 0.000) 5.215 7.790 ( -2.169 -4.428 0.000) 4.931 8.220 ( 2.577 3.715 0.000) 4.521 8.295 ( 3.421 -3.468 0.000) 4.871 8.326 ( -1.338 5.072 0.000) 5.245 8.425 ( -0.576 -4.811 0.000) 4.845======================= Grid point 17 (12/36) =======================q-point: ( 0.43 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.738 ( 7.198 2.479 0.000) 7.613 0.751 ( 3.338 4.258 0.000) 5.410 0.764 ( 2.873 0.661 0.000) 2.948 0.830 ( -0.870 -2.177 0.000) 2.344 0.906 ( 1.816 1.472 0.000) 2.338 0.960 ( -3.372 2.007 0.000) 3.924 0.970 ( -0.186 1.252 0.000) 1.266 0.977 ( 0.364 -2.932 0.000) 2.955 1.062 ( 2.837 -3.064 0.000) 4.175 1.063 ( -0.405 0.212 0.000) 0.457 1.101 ( -1.402 -4.610 0.000) 4.818 1.118 ( -0.761 -4.678 0.000) 4.739 1.199 ( 3.753 1.331 0.000) 3.982 1.226 ( 2.613 -1.614 0.000) 3.071 1.244 ( -0.202 0.810 0.000) 0.835 1.268 ( -2.747 -0.846 0.000) 2.874 1.376 ( 3.177 1.900 0.000) 3.702 1.416 ( 2.134 -1.944 0.000) 2.887 1.432 ( -2.161 1.207 0.000) 2.475 1.454 ( -0.418 -0.957 0.000) 1.045 1.613 ( 2.283 1.715 0.000) 2.855 1.627 ( 2.102 5.614 0.000) 5.994 1.657 ( 4.162 -2.419 0.000) 4.814 1.718 ( -1.144 -3.353 0.000) 3.543 1.748 ( -0.381 3.784 0.000) 3.804 1.753 ( 0.276 3.033 0.000) 3.046 1.800 ( 0.914 -1.146 0.000) 1.466 1.816 ( -2.204 -2.332 0.000) 3.209 1.826 ( 0.371 4.794 0.000) 4.809 1.853 ( -0.642 3.561 0.000) 3.619 1.907 ( 4.586 -2.159 0.000) 5.068 1.946 ( -0.197 4.223 0.000) 4.228 1.951 ( 2.010 -4.016 0.000) 4.491 1.999 ( -2.161 1.025 0.000) 2.392 2.017 ( -4.952 -0.473 0.000) 4.974 2.034 ( -0.857 -1.693 0.000) 1.898 2.100 ( 1.881 -0.007 0.000) 1.881 2.131 ( -1.473 -0.438 0.000) 1.537 2.145 ( -0.433 -1.708 0.000) 1.762 2.151 ( -2.520 -5.743 0.000) 6.271 2.526 ( 0.426 4.735 0.000) 4.754 2.545 ( -1.531 5.018 0.000) 5.246 2.613 ( 1.056 -3.715 0.000) 3.862 2.630 ( -0.624 -3.256 0.000) 3.316 2.840 ( 0.320 1.605 0.000) 1.637 2.857 ( 0.054 0.761 0.000) 0.763 2.874 ( -2.354 -0.623 0.000) 2.435 2.876 ( -1.397 -1.844 0.000) 2.313 2.920 ( 0.727 1.529 0.000) 1.693 2.944 ( -1.686 2.410 0.000) 2.941 2.950 ( 1.628 -1.408 0.000) 2.153 2.987 ( -2.143 -1.727 0.000) 2.752 3.157 ( 0.154 2.366 0.000) 2.371 3.168 ( -1.009 2.998 0.000) 3.163 3.215 ( 0.759 -3.196 0.000) 3.285 3.238 ( -1.557 -3.741 0.000) 4.052 5.871 ( 0.273 0.277 0.000) 0.389 5.876 ( -0.069 -0.264 0.000) 0.273 5.881 ( -0.667 0.057 0.000) 0.669 5.882 ( -0.729 -0.042 0.000) 0.730 7.574 ( 1.858 2.279 0.000) 2.940 7.610 ( -1.666 3.358 0.000) 3.749 7.618 ( 3.029 -0.616 0.000) 3.091 7.666 ( -1.612 3.632 0.000) 3.974 7.669 ( 0.068 0.637 0.000) 0.641 7.690 ( -2.286 -3.666 0.000) 4.320 7.718 ( 1.410 -2.754 0.000) 3.094 7.752 ( -1.934 -3.921 0.000) 4.373 8.267 ( 2.148 4.561 0.000) 5.041 8.301 ( -1.406 5.148 0.000) 5.336 8.359 ( 2.938 -4.226 0.000) 5.147 8.404 ( -1.720 -4.835 0.000) 5.132======================= Grid point 35 (13/36) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.123 ( 0.000 0.000 8.550) 8.550 0.145 ( 0.000 0.000 6.608) 6.608 0.399 ( 0.000 0.000 19.181) 19.181 0.499 ( 0.000 0.000 -3.681) 3.681 0.685 ( 0.000 0.000 -7.097) 7.097 0.869 ( 0.000 0.000 3.894) 3.894 0.927 ( 0.000 0.000 0.822) 0.822 0.955 ( 0.000 0.000 -3.037) 3.037 1.001 ( 0.000 0.000 -0.161) 0.161 1.042 ( 0.000 0.000 0.327) 0.327 1.152 ( 0.000 0.000 2.341) 2.341 1.167 ( 0.000 0.000 -0.868) 0.868 1.256 ( 0.000 0.000 3.043) 3.043 1.259 ( 0.000 0.000 2.425) 2.425 1.281 ( 0.000 0.000 -3.294) 3.294 1.291 ( 0.000 0.000 -3.125) 3.125 1.294 ( 0.000 0.000 -6.693) 6.693 1.317 ( 0.000 0.000 6.252) 6.252 1.400 ( 0.000 0.000 0.053) 0.053 1.482 ( 0.000 0.000 1.690) 1.690 1.515 ( 0.000 0.000 2.854) 2.854 1.584 ( 0.000 0.000 -0.901) 0.901 1.604 ( 0.000 0.000 1.417) 1.417 1.658 ( 0.000 0.000 -5.762) 5.762 1.677 ( 0.000 0.000 1.655) 1.655 1.774 ( 0.000 0.000 -0.169) 0.169 1.783 ( 0.000 0.000 -2.750) 2.750 1.795 ( 0.000 0.000 -4.825) 4.825 1.824 ( 0.000 0.000 1.716) 1.716 1.833 ( 0.000 0.000 -0.617) 0.617 1.848 ( 0.000 0.000 1.753) 1.753 1.880 ( 0.000 0.000 0.025) 0.025 1.971 ( 0.000 0.000 0.583) 0.583 1.993 ( 0.000 0.000 -1.107) 1.107 2.019 ( 0.000 0.000 -1.438) 1.438 2.056 ( 0.000 0.000 2.532) 2.532 2.058 ( 0.000 0.000 -2.038) 2.038 2.152 ( 0.000 0.000 3.221) 3.221 2.226 ( 0.000 0.000 0.915) 0.915 2.278 ( 0.000 0.000 -3.303) 3.303 2.636 ( 0.000 0.000 2.099) 2.099 2.656 ( 0.000 0.000 -0.701) 0.701 2.696 ( 0.000 0.000 -0.206) 0.206 2.734 ( 0.000 0.000 2.421) 2.421 2.736 ( 0.000 0.000 -2.559) 2.559 2.771 ( 0.000 0.000 3.089) 3.089 2.807 ( 0.000 0.000 0.589) 0.589 2.899 ( 0.000 0.000 0.486) 0.486 2.938 ( 0.000 0.000 -0.990) 0.990 3.009 ( 0.000 0.000 -2.639) 2.639 3.053 ( 0.000 0.000 -0.906) 0.906 3.059 ( 0.000 0.000 -1.219) 1.219 3.140 ( 0.000 0.000 2.364) 2.364 3.141 ( 0.000 0.000 2.112) 2.112 3.239 ( 0.000 0.000 -0.816) 0.816 3.286 ( 0.000 0.000 -1.414) 1.414 5.879 ( 0.000 0.000 0.607) 0.607 5.912 ( 0.000 0.000 0.151) 0.151 5.915 ( 0.000 0.000 -0.199) 0.199 5.925 ( 0.000 0.000 -0.172) 0.172 7.435 ( 0.000 0.000 0.142) 0.142 7.494 ( 0.000 0.000 -1.021) 1.021 7.521 ( 0.000 0.000 2.061) 2.061 7.636 ( 0.000 0.000 -0.587) 0.587 7.671 ( 0.000 0.000 0.322) 0.322 7.711 ( 0.000 0.000 -0.685) 0.685 8.001 ( 0.000 0.000 1.321) 1.321 8.094 ( 0.000 0.000 -0.898) 0.898 8.099 ( 0.000 0.000 0.680) 0.680 8.140 ( 0.000 0.000 0.098) 0.098 8.266 ( 0.000 0.000 -0.631) 0.631 8.300 ( 0.000 0.000 -1.166) 1.166======================= Grid point 36 (14/36) =======================q-point: ( 0.14 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.283 ( 10.336 0.000 3.318) 10.855 0.288 ( 7.694 0.000 7.114) 10.479 0.544 ( 11.238 0.000 5.062) 12.326 0.561 ( 8.998 0.000 2.169) 9.256 0.748 ( 5.381 0.000 -4.920) 7.292 0.906 ( 3.369 0.000 2.756) 4.353 0.915 ( -0.780 0.000 -1.081) 1.333 0.986 ( 3.173 0.000 -3.101) 4.436 1.035 ( 3.356 0.000 1.086) 3.527 1.068 ( 2.093 0.000 0.423) 2.135 1.162 ( 0.763 0.000 1.657) 1.824 1.167 ( 0.192 0.000 -0.566) 0.598 1.230 ( -2.235 0.000 2.762) 3.553 1.274 ( 1.140 0.000 2.932) 3.146 1.275 ( -1.410 0.000 -5.430) 5.610 1.292 ( -0.588 0.000 -4.662) 4.699 1.304 ( 0.111 0.000 -0.349) 0.366 1.334 ( 3.688 0.000 4.517) 5.831 1.383 ( -5.974 0.000 9.925) 11.585 1.385 ( -0.283 0.000 -0.154) 0.322 1.532 ( 3.339 0.000 2.707) 4.299 1.534 ( 0.971 0.000 2.611) 2.785 1.595 ( -5.195 0.000 2.323) 5.691 1.650 ( -0.476 0.000 -3.410) 3.443 1.692 ( 1.172 0.000 -0.204) 1.190 1.725 ( 1.982 0.000 -3.854) 4.334 1.742 ( -2.906 0.000 -4.115) 5.038 1.818 ( 0.027 0.000 -0.087) 0.091 1.820 ( 2.152 0.000 -1.723) 2.756 1.840 ( -0.232 0.000 1.786) 1.801 1.868 ( -0.778 0.000 -0.537) 0.945 1.882 ( 3.591 0.000 -0.389) 3.612 1.956 ( -1.618 0.000 0.836) 1.821 1.971 ( -0.061 0.000 0.491) 0.495 2.008 ( 0.729 0.000 -2.193) 2.311 2.064 ( 0.782 0.000 -2.812) 2.918 2.139 ( -0.908 0.000 3.127) 3.256 2.210 ( -1.214 0.000 1.064) 1.615 2.285 ( -0.026 0.000 -1.555) 1.555 2.393 ( 7.334 0.000 -8.314) 11.087 2.590 ( -4.534 0.000 0.905) 4.624 2.604 ( -4.815 0.000 0.264) 4.822 2.711 ( 0.026 0.000 0.599) 0.600 2.742 ( 0.239 0.000 -0.645) 0.687 2.759 ( 2.836 0.000 2.130) 3.547 2.777 ( -2.252 0.000 0.388) 2.285 2.828 ( 4.396 0.000 -1.436) 4.624 2.880 ( -0.947 0.000 0.501) 1.071 2.938 ( 0.001 0.000 -1.187) 1.187 2.994 ( -1.369 0.000 -1.680) 2.167 3.062 ( -3.173 0.000 1.611) 3.558 3.072 ( 1.240 0.000 -0.774) 1.462 3.095 ( -0.223 0.000 1.621) 1.636 3.118 ( -2.028 0.000 1.276) 2.396 3.281 ( -0.503 0.000 -1.189) 1.291 3.308 ( 3.439 0.000 -5.044) 6.105 5.874 ( -0.464 0.000 0.619) 0.774 5.906 ( -0.550 0.000 0.115) 0.562 5.910 ( -0.535 0.000 -0.254) 0.593 5.917 ( -0.697 0.000 -0.102) 0.705 7.452 ( 1.634 0.000 -0.031) 1.634 7.511 ( 1.496 0.000 -0.854) 1.723 7.536 ( 1.239 0.000 2.337) 2.645 7.653 ( -1.543 0.000 0.138) 1.549 7.670 ( 1.368 0.000 -1.060) 1.731 7.710 ( 0.052 0.000 -0.819) 0.820 7.964 ( -3.417 0.000 0.493) 3.452 7.970 ( -4.568 0.000 0.164) 4.571 8.120 ( 0.436 0.000 1.191) 1.269 8.143 ( 0.265 0.000 0.177) 0.319 8.300 ( 3.219 0.000 -0.217) 3.226 8.457 ( 6.519 0.000 -7.884) 10.230======================= Grid point 37 (15/36) =======================q-point: ( 0.29 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.438 ( 8.588 0.000 3.397) 9.236 0.478 ( 9.401 0.000 1.491) 9.518 0.652 ( 4.835 0.000 -2.512) 5.448 0.835 ( 2.283 0.000 -0.040) 2.284 0.862 ( 14.356 0.000 5.386) 15.333 0.915 ( 1.013 0.000 -2.928) 3.098 0.971 ( 2.660 0.000 -1.037) 2.855 1.069 ( 5.081 0.000 -3.458) 6.146 1.072 ( -0.773 0.000 -4.299) 4.368 1.112 ( 1.998 0.000 3.089) 3.679 1.179 ( 0.928 0.000 0.005) 0.928 1.182 ( -0.815 0.000 2.609) 2.733 1.206 ( 1.772 0.000 2.019) 2.687 1.232 ( -2.299 0.000 2.423) 3.340 1.252 ( 0.578 0.000 -4.065) 4.106 1.298 ( 1.264 0.000 -1.812) 2.209 1.332 ( 1.539 0.000 3.171) 3.525 1.353 ( 1.441 0.000 0.806) 1.652 1.384 ( -0.720 0.000 -1.332) 1.514 1.434 ( 3.708 0.000 2.016) 4.220 1.466 ( -4.120 0.000 0.815) 4.200 1.519 ( -2.738 0.000 0.654) 2.815 1.643 ( 6.162 0.000 2.302) 6.578 1.651 ( -1.448 0.000 -3.410) 3.705 1.657 ( -4.670 0.000 -2.593) 5.342 1.729 ( 3.277 0.000 1.813) 3.746 1.774 ( 2.483 0.000 -1.016) 2.682 1.812 ( -0.506 0.000 -0.096) 0.515 1.842 ( 1.560 0.000 1.296) 2.028 1.856 ( -0.516 0.000 -0.908) 1.045 1.866 ( 1.373 0.000 -0.605) 1.500 1.935 ( 0.548 0.000 0.127) 0.563 1.952 ( 2.972 0.000 0.851) 3.092 1.977 ( 0.962 0.000 0.137) 0.971 2.025 ( 1.066 0.000 -0.296) 1.106 2.086 ( 1.124 0.000 -1.980) 2.277 2.117 ( -1.218 0.000 1.629) 2.034 2.182 ( -1.857 0.000 -0.362) 1.892 2.258 ( -2.761 0.000 1.914) 3.360 2.415 ( -2.550 0.000 -2.847) 3.822 2.478 ( -6.329 0.000 0.083) 6.329 2.484 ( -6.934 0.000 0.379) 6.944 2.720 ( 0.368 0.000 -0.301) 0.475 2.729 ( -1.243 0.000 0.127) 1.249 2.760 ( 0.599 0.000 0.807) 1.005 2.800 ( 1.461 0.000 1.808) 2.325 2.845 ( -0.653 0.000 -1.643) 1.768 2.928 ( 3.867 0.000 0.716) 3.933 2.933 ( -1.337 0.000 -1.154) 1.766 2.958 ( -1.839 0.000 0.352) 1.873 2.976 ( -4.240 0.000 2.454) 4.899 3.064 ( -1.537 0.000 -0.846) 1.754 3.105 ( 0.640 0.000 0.535) 0.834 3.105 ( 0.486 0.000 1.079) 1.183 3.272 ( -0.161 0.000 -1.292) 1.302 3.337 ( -0.156 0.000 -3.794) 3.797 5.865 ( -0.252 0.000 0.531) 0.588 5.893 ( -0.682 0.000 0.100) 0.689 5.894 ( -0.943 0.000 -0.223) 0.969 5.902 ( -0.830 0.000 -0.003) 0.830 7.489 ( 1.917 0.000 -0.220) 1.929 7.542 ( 1.344 0.000 -0.217) 1.361 7.557 ( 0.831 0.000 2.375) 2.517 7.614 ( -2.198 0.000 0.508) 2.256 7.683 ( 0.532 0.000 -0.899) 1.045 7.722 ( 1.289 0.000 -1.184) 1.750 7.887 ( -4.209 0.000 -0.160) 4.212 7.907 ( -2.726 0.000 -1.033) 2.915 8.132 ( 0.763 0.000 0.646) 0.999 8.148 ( 0.273 0.000 0.139) 0.307 8.375 ( 4.241 0.000 -0.051) 4.242 8.516 ( 0.674 0.000 -4.651) 4.700======================= Grid point 38 (16/36) =======================q-point: ( 0.43 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.600 ( 6.955 0.000 0.360) 6.965 0.623 ( 4.633 0.000 0.232) 4.639 0.725 ( 2.932 0.000 -1.533) 3.309 0.807 ( -4.693 0.000 0.579) 4.729 0.950 ( 2.173 0.000 -4.221) 4.748 0.980 ( -0.496 0.000 -2.902) 2.944 1.057 ( 0.580 0.000 -2.286) 2.358 1.067 ( 3.801 0.000 2.005) 4.297 1.135 ( -0.514 0.000 1.740) 1.814 1.137 ( 0.751 0.000 1.381) 1.572 1.152 ( 2.158 0.000 -1.116) 2.429 1.179 ( -0.559 0.000 -0.124) 0.572 1.226 ( 2.420 0.000 -0.323) 2.441 1.285 ( -1.254 0.000 0.606) 1.393 1.305 ( 3.019 0.000 -1.188) 3.244 1.306 ( 0.697 0.000 -1.031) 1.244 1.332 ( 1.108 0.000 1.712) 2.039 1.355 ( -1.683 0.000 -3.360) 3.757 1.361 ( 0.854 0.000 0.657) 1.077 1.446 ( 3.582 0.000 -1.346) 3.827 1.451 ( -4.337 0.000 -0.773) 4.405 1.527 ( -5.895 0.000 -0.443) 5.912 1.534 ( 4.304 0.000 1.733) 4.640 1.615 ( -3.721 0.000 -0.475) 3.751 1.746 ( 3.608 0.000 1.223) 3.810 1.791 ( -1.248 0.000 0.412) 1.315 1.804 ( 2.766 0.000 0.537) 2.818 1.814 ( 1.418 0.000 -0.375) 1.467 1.849 ( -0.063 0.000 -0.932) 0.934 1.867 ( -1.121 0.000 -0.757) 1.353 1.911 ( 5.451 0.000 3.589) 6.527 1.976 ( 0.263 0.000 1.485) 1.508 2.002 ( 4.615 0.000 0.854) 4.694 2.015 ( 3.155 0.000 -0.055) 3.156 2.044 ( 0.885 0.000 1.173) 1.469 2.075 ( -2.260 0.000 0.048) 2.261 2.088 ( -2.483 0.000 0.126) 2.486 2.116 ( -5.891 0.000 0.380) 5.903 2.237 ( 2.777 0.000 1.209) 3.028 2.329 ( -5.677 0.000 -0.169) 5.680 2.375 ( -3.138 0.000 -0.168) 3.142 2.380 ( -3.221 0.000 -0.268) 3.232 2.713 ( -0.260 0.000 -0.141) 0.296 2.718 ( -0.460 0.000 -0.255) 0.526 2.786 ( 1.974 0.000 0.636) 2.073 2.813 ( 0.054 0.000 -0.913) 0.915 2.843 ( 0.006 0.000 -0.514) 0.515 2.876 ( -3.184 0.000 -1.504) 3.521 2.921 ( -0.470 0.000 2.320) 2.367 2.936 ( -1.151 0.000 1.483) 1.877 2.996 ( 2.792 0.000 0.785) 2.900 3.038 ( -1.541 0.000 0.169) 1.550 3.113 ( 0.270 0.000 1.309) 1.336 3.114 ( 0.184 0.000 0.997) 1.013 3.283 ( 1.336 0.000 -2.004) 2.408 3.316 ( -1.738 0.000 -2.623) 3.147 5.867 ( 0.441 0.000 0.273) 0.519 5.879 ( -0.641 0.000 -0.088) 0.647 5.883 ( -0.295 0.000 0.125) 0.320 5.886 ( -0.685 0.000 0.152) 0.702 7.521 ( 1.489 0.000 -0.080) 1.491 7.547 ( -0.931 0.000 0.087) 0.935 7.570 ( 0.572 0.000 1.827) 1.914 7.582 ( -0.877 0.000 1.226) 1.507 7.708 ( 2.084 0.000 -2.225) 3.049 7.742 ( -0.294 0.000 -2.780) 2.795 7.827 ( -0.901 0.000 0.936) 1.299 7.855 ( -2.650 0.000 0.016) 2.650 8.146 ( 0.568 0.000 0.217) 0.608 8.151 ( -0.022 0.000 0.096) 0.099 8.452 ( 3.496 0.000 -0.702) 3.566 8.504 ( -1.792 0.000 -2.152) 2.800======================= Grid point 42 (17/36) =======================q-point: ( 0.00 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.164 ( 0.000 5.071 2.018) 5.458 0.268 ( 0.000 9.373 1.994) 9.583 0.551 ( 0.000 4.066 -4.809) 6.297 0.568 ( 0.000 11.987 9.172) 15.093 0.724 ( 0.000 3.225 -5.682) 6.533 0.840 ( 0.000 -2.827 3.264) 4.318 0.954 ( 0.000 1.235 -0.811) 1.478 0.961 ( 0.000 -0.210 1.237) 1.255 1.003 ( 0.000 -1.034 -1.884) 2.149 1.006 ( 0.000 -0.322 -1.882) 1.909 1.112 ( 0.000 -0.561 3.676) 3.718 1.165 ( 0.000 -0.638 -2.020) 2.119 1.172 ( 0.000 -5.475 -2.301) 5.939 1.234 ( 0.000 -1.216 3.316) 3.532 1.249 ( 0.000 -4.803 -0.908) 4.888 1.264 ( 0.000 -3.462 5.451) 6.458 1.306 ( 0.000 0.473 -0.204) 0.515 1.354 ( 0.000 0.819 3.621) 3.712 1.400 ( 0.000 -5.539 3.130) 6.362 1.401 ( 0.000 -1.621 -0.998) 1.904 1.483 ( 0.000 3.125 3.382) 4.605 1.549 ( 0.000 0.295 3.744) 3.756 1.585 ( 0.000 0.510 -0.842) 0.984 1.655 ( 0.000 0.473 -4.401) 4.427 1.659 ( 0.000 1.392 -0.025) 1.392 1.747 ( 0.000 -0.166 -0.544) 0.569 1.750 ( 0.000 -1.925 -0.575) 2.009 1.791 ( 0.000 1.157 -1.023) 1.544 1.829 ( 0.000 -0.862 1.652) 1.863 1.860 ( 0.000 1.456 -3.254) 3.565 1.908 ( 0.000 1.628 -1.709) 2.361 1.931 ( 0.000 -0.549 1.289) 1.401 1.950 ( 0.000 -0.558 -0.502) 0.750 1.998 ( 0.000 -0.091 -2.633) 2.634 2.016 ( 0.000 -0.676 -1.640) 1.773 2.123 ( 0.000 -0.249 0.378) 0.453 2.135 ( 0.000 3.316 0.175) 3.320 2.182 ( 0.000 0.748 -5.413) 5.464 2.211 ( 0.000 0.015 1.683) 1.683 2.339 ( 0.000 4.439 -4.886) 6.601 2.591 ( 0.000 -0.777 0.497) 0.922 2.668 ( 0.000 -4.012 -0.071) 4.013 2.676 ( 0.000 -3.034 0.481) 3.072 2.689 ( 0.000 -1.108 -1.363) 1.756 2.759 ( 0.000 3.972 -0.595) 4.016 2.822 ( 0.000 4.030 1.068) 4.169 2.854 ( 0.000 2.619 1.045) 2.820 2.918 ( 0.000 1.451 0.081) 1.454 2.965 ( 0.000 0.984 0.803) 1.270 3.001 ( 0.000 -0.651 -1.972) 2.076 3.071 ( 0.000 1.429 -0.209) 1.444 3.074 ( 0.000 1.055 -1.054) 1.491 3.131 ( 0.000 -0.510 1.476) 1.561 3.171 ( 0.000 2.584 2.412) 3.535 3.198 ( 0.000 -1.878 -2.673) 3.267 3.329 ( 0.000 0.767 -0.758) 1.078 5.882 ( 0.000 0.370 0.540) 0.655 5.912 ( 0.000 0.035 0.098) 0.104 5.915 ( 0.000 -0.006 -0.184) 0.184 5.920 ( 0.000 -0.451 -0.101) 0.462 7.489 ( 0.000 2.381 -2.107) 3.179 7.495 ( 0.000 0.138 -0.754) 0.767 7.529 ( 0.000 1.313 0.680) 1.479 7.628 ( 0.000 -0.721 -0.835) 1.103 7.694 ( 0.000 2.253 0.223) 2.264 7.718 ( 0.000 0.606 -0.091) 0.613 7.863 ( 0.000 -7.374 6.915) 10.109 7.952 ( 0.000 -4.183 0.774) 4.254 8.115 ( 0.000 1.498 0.523) 1.586 8.235 ( 0.000 -0.912 -2.207) 2.388 8.326 ( 0.000 2.066 -0.975) 2.285 8.352 ( 0.000 4.323 -4.495) 6.236======================= Grid point 43 (18/36) =======================q-point: ( 0.14 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.269 ( 8.559 3.064 1.475) 9.210 0.406 ( 8.767 6.538 3.380) 11.447 0.573 ( 4.446 1.674 -2.730) 5.479 0.642 ( 6.210 7.482 3.017) 10.180 0.787 ( 5.647 2.493 -3.777) 7.236 0.859 ( 1.829 -2.622 2.968) 4.362 0.957 ( 1.552 1.987 1.259) 2.819 0.983 ( 2.223 0.177 -4.381) 4.916 1.033 ( 2.678 -1.727 -1.175) 3.396 1.056 ( 3.291 0.539 1.594) 3.697 1.114 ( 0.156 -1.949 2.278) 3.002 1.153 ( 0.383 -1.745 -0.418) 1.834 1.209 ( 1.543 -1.709 -1.078) 2.542 1.222 ( -0.493 -3.449 0.479) 3.517 1.235 ( -1.831 -2.740 2.874) 4.373 1.269 ( -0.569 -2.950 4.805) 5.667 1.296 ( 1.461 -1.936 -0.867) 2.576 1.341 ( -1.242 -0.960 -2.483) 2.938 1.364 ( -1.717 -1.134 3.754) 4.282 1.433 ( 0.029 4.562 3.069) 5.498 1.476 ( 3.139 -1.459 1.798) 3.901 1.553 ( 1.783 1.655 1.179) 2.703 1.610 ( -1.756 1.120 -0.005) 2.083 1.661 ( 2.009 -1.058 -2.807) 3.610 1.681 ( 2.601 1.257 -2.054) 3.545 1.703 ( -2.449 -0.689 -0.072) 2.545 1.778 ( 1.334 0.650 1.018) 1.800 1.806 ( 1.021 0.392 -0.502) 1.203 1.844 ( 1.011 -0.421 1.086) 1.543 1.846 ( -1.192 1.382 -3.864) 4.273 1.913 ( 0.313 -1.215 -0.215) 1.273 1.922 ( -1.067 3.031 -0.902) 3.338 1.953 ( 0.612 0.551 -0.452) 0.939 2.004 ( 0.219 0.253 -2.278) 2.303 2.028 ( -4.086 6.461 0.932) 7.701 2.041 ( 0.644 -1.572 -2.752) 3.234 2.137 ( -0.413 -0.244 2.919) 2.958 2.191 ( -0.689 -1.615 1.268) 2.166 2.221 ( 0.718 -4.030 -3.656) 5.489 2.390 ( 2.316 -1.728 -3.308) 4.392 2.566 ( -2.955 -0.297 0.232) 2.979 2.588 ( -4.431 -1.007 0.068) 4.544 2.673 ( -0.383 -3.632 0.384) 3.672 2.694 ( -0.512 -1.653 -0.070) 1.732 2.811 ( 0.061 2.466 0.431) 2.504 2.827 ( -1.057 3.144 1.703) 3.729 2.845 ( 3.847 1.836 -1.145) 4.414 2.907 ( -0.761 2.009 0.148) 2.153 2.962 ( -0.457 0.673 0.583) 1.001 2.984 ( -1.798 -0.583 -1.390) 2.346 3.047 ( -2.233 0.164 0.973) 2.442 3.076 ( -0.509 -0.089 -0.234) 0.567 3.107 ( -1.666 1.046 -0.302) 1.990 3.168 ( -0.001 3.490 2.051) 4.048 3.229 ( 1.414 -2.978 -2.751) 4.294 3.330 ( 0.091 -0.026 -1.375) 1.378 5.877 ( -0.486 0.348 0.556) 0.816 5.905 ( -0.698 -0.102 -0.068) 0.709 5.910 ( -0.486 0.009 -0.151) 0.509 5.913 ( -0.566 -0.296 0.008) 0.639 7.490 ( 0.737 2.424 -1.213) 2.809 7.510 ( 1.206 -0.018 -0.257) 1.233 7.547 ( 1.795 1.179 1.465) 2.600 7.665 ( 1.921 -0.582 -1.725) 2.647 7.677 ( -1.645 2.281 0.246) 2.823 7.710 ( -0.666 0.159 -0.117) 0.695 7.861 ( -0.426 -6.016 2.854) 6.673 7.928 ( -2.197 -3.648 0.751) 4.324 8.125 ( 0.950 1.569 0.244) 1.851 8.246 ( -1.792 4.926 -1.304) 5.401 8.277 ( 2.078 -1.462 -0.716) 2.639 8.441 ( 3.856 -1.430 -4.545) 6.130======================= Grid point 44 (19/36) =======================q-point: ( 0.29 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( 9.358 2.525 -0.266) 9.696 0.554 ( 7.447 4.508 2.350) 9.016 0.669 ( 4.096 1.579 -2.210) 4.915 0.772 ( 5.312 -2.137 -1.161) 5.842 0.872 ( 2.906 -1.639 -1.529) 3.670 0.949 ( 5.698 3.045 3.866) 7.529 0.993 ( 1.522 0.758 -0.786) 1.874 1.029 ( 1.424 -2.820 -5.088) 5.988 1.053 ( 0.169 -1.172 -2.461) 2.731 1.106 ( 1.340 -0.720 1.896) 2.431 1.126 ( 1.413 -3.615 1.082) 4.029 1.168 ( -3.116 -1.907 4.753) 5.995 1.198 ( 3.261 -0.172 0.328) 3.282 1.224 ( 1.233 -0.189 1.688) 2.099 1.238 ( 1.147 -1.853 -1.503) 2.647 1.283 ( 1.005 -2.191 -1.745) 2.976 1.310 ( 0.415 -0.450 -0.226) 0.652 1.347 ( 1.403 -1.304 -0.548) 1.992 1.373 ( 3.063 0.291 -0.532) 3.122 1.457 ( 1.309 1.168 1.467) 2.287 1.505 ( -1.748 3.371 0.593) 3.843 1.556 ( -0.841 3.389 1.162) 3.680 1.629 ( 5.091 -1.529 1.182) 5.446 1.670 ( -1.010 1.013 -0.739) 1.610 1.694 ( 1.056 1.458 -1.649) 2.442 1.733 ( 0.962 -1.327 -1.697) 2.359 1.778 ( -1.995 4.780 -1.271) 5.333 1.818 ( 0.227 0.249 -0.944) 1.002 1.841 ( 2.284 -0.075 1.758) 2.883 1.864 ( 0.740 -0.442 -0.743) 1.138 1.880 ( -1.535 1.024 0.708) 1.976 1.917 ( 0.589 -0.885 0.919) 1.405 1.972 ( 0.794 -1.294 0.802) 1.716 1.984 ( 0.783 3.244 0.626) 3.396 2.029 ( 1.380 0.451 -0.906) 1.711 2.069 ( 1.231 -1.273 -1.272) 2.180 2.112 ( -1.696 -0.282 1.468) 2.260 2.169 ( -1.155 -1.025 -0.306) 1.574 2.216 ( -1.594 -3.522 0.479) 3.896 2.376 ( -3.793 -4.792 -0.633) 6.145 2.489 ( -4.011 1.552 -0.145) 4.303 2.504 ( -4.390 2.475 -0.219) 5.044 2.671 ( 0.099 -3.521 0.168) 3.527 2.686 ( -0.029 -2.239 -0.243) 2.252 2.807 ( -0.815 1.268 0.706) 1.664 2.813 ( 0.830 2.756 0.597) 2.940 2.888 ( -1.235 2.669 -0.553) 2.992 2.912 ( 1.241 -0.807 0.199) 1.494 2.943 ( -0.971 -0.069 0.089) 0.978 2.949 ( -1.083 -0.202 0.112) 1.107 2.991 ( -3.086 0.231 2.156) 3.771 3.050 ( -1.665 -0.760 -0.145) 1.836 3.090 ( -0.191 1.208 -1.090) 1.638 3.167 ( -0.099 3.012 2.013) 3.624 3.242 ( 0.388 -2.587 -1.973) 3.277 3.324 ( -0.925 -1.326 -1.589) 2.267 5.868 ( -0.315 0.266 0.477) 0.630 5.888 ( -0.875 -0.259 -0.203) 0.935 5.897 ( -0.743 0.103 0.032) 0.751 5.901 ( -0.762 -0.134 0.058) 0.776 7.514 ( 1.448 1.996 -0.725) 2.570 7.535 ( 1.282 0.127 0.210) 1.305 7.584 ( 1.477 1.654 1.435) 2.641 7.639 ( -1.840 2.338 0.603) 3.035 7.678 ( -0.228 -0.144 -0.312) 0.412 7.709 ( 0.840 -1.255 -1.358) 2.031 7.830 ( -2.895 -4.153 -0.308) 5.072 7.885 ( -2.033 -2.481 0.946) 3.344 8.147 ( 1.259 2.076 -0.439) 2.468 8.216 ( -0.862 4.859 -0.088) 4.936 8.345 ( 3.972 -2.703 -0.859) 4.881 8.483 ( 0.664 -2.960 -3.114) 4.348======================= Grid point 45 (20/36) =======================q-point: ( 0.43 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( 7.152 2.854 -2.096) 7.980 0.680 ( 4.500 2.417 0.145) 5.110 0.718 ( 1.083 0.937 -1.730) 2.246 0.814 ( -1.336 -0.333 -0.351) 1.422 0.917 ( 1.511 -1.767 -2.122) 3.148 0.950 ( -1.704 -3.582 -2.342) 4.606 0.998 ( -0.709 -0.560 -1.539) 1.785 1.059 ( 0.403 -2.904 2.261) 3.703 1.083 ( 0.935 -1.621 -1.557) 2.434 1.116 ( 1.083 -2.691 0.364) 2.923 1.148 ( -0.400 -0.965 0.186) 1.061 1.161 ( 2.441 -2.299 0.356) 3.372 1.228 ( 0.101 0.154 -1.999) 2.007 1.248 ( -0.136 -3.315 1.139) 3.508 1.266 ( 1.314 0.063 0.665) 1.474 1.301 ( 2.579 -2.101 0.248) 3.335 1.341 ( 1.226 -0.862 -0.310) 1.530 1.361 ( 0.166 0.376 -3.239) 3.265 1.412 ( -3.091 0.267 -1.526) 3.458 1.463 ( 2.809 0.265 -1.048) 3.010 1.503 ( 2.415 7.916 1.735) 8.457 1.555 ( -0.780 4.853 0.421) 4.933 1.608 ( -2.896 4.952 -1.356) 5.894 1.671 ( -2.048 3.417 0.590) 4.027 1.739 ( 2.210 -4.064 -0.288) 4.635 1.757 ( 3.397 1.053 0.792) 3.644 1.776 ( 0.744 -2.114 -0.630) 2.328 1.806 ( -1.323 1.142 0.340) 1.780 1.854 ( -0.547 -1.679 0.235) 1.781 1.879 ( 0.684 1.765 -0.004) 1.893 1.913 ( 3.569 -0.124 4.051) 5.400 1.952 ( 3.062 -2.030 0.248) 3.682 1.980 ( -1.054 0.591 1.527) 1.947 2.011 ( 2.094 -1.006 0.217) 2.334 2.047 ( -0.285 -0.221 0.142) 0.387 2.058 ( -3.957 -1.837 0.654) 4.411 2.096 ( 1.789 0.830 0.059) 1.973 2.140 ( -2.049 0.756 0.357) 2.213 2.196 ( 0.852 -3.387 0.375) 3.512 2.280 ( -4.734 -4.301 0.711) 6.435 2.429 ( -1.992 4.484 -0.324) 4.917 2.434 ( -2.215 4.532 -0.237) 5.050 2.675 ( 0.245 -2.813 -0.206) 2.831 2.688 ( 0.048 -2.198 0.049) 2.199 2.803 ( 0.687 0.286 -0.425) 0.857 2.829 ( -0.095 1.943 -0.780) 2.096 2.868 ( -0.327 1.504 0.157) 1.547 2.881 ( -2.160 0.291 -0.670) 2.280 2.918 ( -0.934 -0.043 1.271) 1.578 2.951 ( -1.019 0.552 2.608) 2.853 2.972 ( 1.501 -1.678 -0.422) 2.290 3.022 ( -1.131 -1.078 0.263) 1.584 3.090 ( 0.089 0.267 -0.188) 0.339 3.165 ( -0.025 2.475 2.235) 3.335 3.257 ( 1.139 -2.476 -2.012) 3.388 3.297 ( -1.583 -1.627 -1.159) 2.548 5.868 ( 0.304 0.097 0.207) 0.381 5.876 ( -0.313 -0.204 -0.136) 0.398 5.883 ( -0.792 0.018 0.005) 0.793 5.888 ( -0.374 0.077 0.340) 0.512 7.539 ( 1.127 1.572 -0.159) 1.941 7.552 ( 0.333 0.885 -0.079) 0.949 7.580 ( -1.194 1.489 0.745) 2.048 7.629 ( 0.222 3.517 2.095) 4.099 7.687 ( 1.464 -1.866 -1.687) 2.911 7.725 ( -0.046 -1.644 -2.617) 3.091 7.774 ( -1.890 -3.785 0.165) 4.234 7.850 ( -1.353 -1.358 1.732) 2.583 8.167 ( 0.655 2.626 -1.048) 2.902 8.208 ( -0.189 4.258 0.389) 4.280 8.413 ( 2.664 -3.445 -1.648) 4.656 8.477 ( -0.971 -2.587 -1.162) 2.998======================= Grid point 49 (21/36) =======================q-point: ( 0.00 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.314 ( 0.000 7.583 -5.443) 9.334 0.402 ( 0.000 1.251 -5.517) 5.657 0.627 ( 0.000 4.197 0.179) 4.201 0.727 ( 0.000 -1.407 2.006) 2.450 0.784 ( 0.000 2.983 -5.165) 5.964 0.813 ( 0.000 0.373 -0.504) 0.627 0.923 ( 0.000 1.896 1.008) 2.147 0.957 ( 0.000 -1.277 -5.062) 5.220 1.013 ( 0.000 1.351 1.224) 1.823 1.051 ( 0.000 -0.156 -3.168) 3.172 1.082 ( 0.000 0.723 -1.696) 1.844 1.134 ( 0.000 -2.001 -2.605) 3.284 1.141 ( 0.000 0.928 4.898) 4.985 1.175 ( 0.000 0.315 5.987) 5.995 1.185 ( 0.000 -3.404 5.167) 6.188 1.235 ( 0.000 0.474 5.965) 5.984 1.269 ( 0.000 -5.312 4.786) 7.150 1.274 ( 0.000 -3.459 3.693) 5.060 1.355 ( 0.000 -0.603 -3.617) 3.667 1.366 ( 0.000 -0.977 0.741) 1.226 1.569 ( 0.000 1.580 -1.737) 2.348 1.592 ( 0.000 -0.473 -1.372) 1.451 1.619 ( 0.000 7.330 3.115) 7.964 1.675 ( 0.000 0.459 0.102) 0.470 1.676 ( 0.000 0.639 -1.496) 1.627 1.724 ( 0.000 0.054 -1.374) 1.375 1.739 ( 0.000 -0.708 -0.927) 1.166 1.760 ( 0.000 -5.512 1.714) 5.772 1.829 ( 0.000 1.190 -1.209) 1.697 1.862 ( 0.000 -1.298 -2.640) 2.942 1.874 ( 0.000 1.283 2.613) 2.911 1.920 ( 0.000 -2.278 0.702) 2.383 1.999 ( 0.000 0.122 -2.653) 2.655 2.000 ( 0.000 0.241 -2.387) 2.399 2.034 ( 0.000 4.307 -4.931) 6.547 2.102 ( 0.000 -1.734 -2.370) 2.937 2.147 ( 0.000 -0.551 1.872) 1.952 2.156 ( 0.000 -1.756 -0.752) 1.910 2.284 ( 0.000 5.217 0.799) 5.278 2.364 ( 0.000 -1.805 -1.500) 2.347 2.587 ( 0.000 -0.240 0.011) 0.240 2.602 ( 0.000 -2.127 0.327) 2.152 2.632 ( 0.000 -0.118 0.167) 0.205 2.656 ( 0.000 -1.770 -1.174) 2.124 2.831 ( 0.000 2.887 -1.479) 3.244 2.867 ( 0.000 -0.304 -0.605) 0.677 2.915 ( 0.000 2.932 0.661) 3.006 2.938 ( 0.000 0.320 -0.480) 0.577 2.978 ( 0.000 0.497 1.977) 2.039 2.987 ( 0.000 -0.585 -0.059) 0.588 3.085 ( 0.000 0.097 0.880) 0.885 3.088 ( 0.000 0.078 1.105) 1.108 3.136 ( 0.000 1.097 -0.978) 1.469 3.165 ( 0.000 -1.537 -2.938) 3.315 3.237 ( 0.000 3.583 2.042) 4.124 3.304 ( 0.000 -2.664 1.312) 2.970 5.893 ( 0.000 0.654 0.356) 0.744 5.908 ( 0.000 -0.694 0.108) 0.702 5.913 ( 0.000 0.061 -0.020) 0.064 5.914 ( 0.000 -0.043 -0.128) 0.135 7.499 ( 0.000 0.195 -0.160) 0.252 7.502 ( 0.000 -0.093 0.209) 0.229 7.573 ( 0.000 2.098 -1.987) 2.890 7.607 ( 0.000 -1.318 -1.403) 1.925 7.735 ( 0.000 1.158 1.397) 1.815 7.756 ( 0.000 2.568 0.241) 2.580 7.776 ( 0.000 -1.079 3.855) 4.003 7.855 ( 0.000 -4.908 0.325) 4.919 8.155 ( 0.000 2.300 -0.076) 2.301 8.202 ( 0.000 -2.130 -0.996) 2.352 8.366 ( 0.000 1.617 -1.220) 2.026 8.386 ( 0.000 -0.121 -2.348) 2.351======================= Grid point 50 (22/36) =======================q-point: ( 0.14 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.385 ( 6.537 7.006 -3.406) 10.169 0.496 ( 7.830 -1.501 -3.651) 8.769 0.615 ( -0.056 5.094 -0.258) 5.100 0.736 ( 1.297 -3.765 0.466) 4.009 0.818 ( 0.613 4.151 -1.860) 4.590 0.846 ( 5.583 1.148 -2.392) 6.182 0.954 ( 1.424 -0.731 -0.792) 1.786 0.985 ( 3.303 -2.879 -0.796) 4.454 1.043 ( 2.267 2.966 -0.897) 3.840 1.064 ( 1.056 1.277 -2.583) 3.069 1.108 ( -0.211 1.036 1.379) 1.738 1.132 ( 0.753 -1.502 1.284) 2.114 1.160 ( 1.110 -0.385 3.387) 3.585 1.176 ( 2.605 -1.280 -0.121) 2.905 1.182 ( -2.755 -2.293 5.978) 6.971 1.220 ( 2.188 -4.274 4.092) 6.309 1.247 ( 0.695 2.302 2.038) 3.152 1.333 ( -0.841 -1.867 -2.038) 2.889 1.355 ( 1.299 -0.393 0.327) 1.396 1.366 ( 3.203 -3.664 2.250) 5.362 1.565 ( -0.883 2.584 -1.906) 3.330 1.585 ( 0.338 1.031 0.187) 1.101 1.640 ( 0.565 2.896 -0.121) 2.953 1.664 ( -0.311 1.203 -0.089) 1.246 1.706 ( 1.338 1.111 1.014) 2.013 1.723 ( 0.954 1.957 -2.316) 3.179 1.754 ( 2.597 -1.887 1.487) 3.538 1.799 ( 1.773 -3.505 -0.608) 3.974 1.833 ( 0.765 0.022 -0.611) 0.979 1.856 ( -0.196 -1.511 -1.253) 1.973 1.873 ( -0.137 1.443 1.818) 2.325 1.918 ( -0.103 -2.361 0.834) 2.506 2.000 ( -0.479 1.458 -2.771) 3.168 2.014 ( 1.038 -0.610 -2.064) 2.389 2.033 ( 0.085 3.722 -4.165) 5.587 2.119 ( 0.982 -3.484 -4.056) 5.437 2.129 ( -2.121 0.820 1.081) 2.518 2.142 ( -0.713 -0.818 1.611) 1.943 2.220 ( -5.057 5.026 1.641) 7.316 2.326 ( -3.272 -4.333 0.233) 5.435 2.567 ( -2.014 0.392 0.247) 2.066 2.588 ( -0.476 -0.625 -0.359) 0.864 2.619 ( -1.313 -0.057 0.359) 1.362 2.653 ( -0.608 -2.170 -0.601) 2.333 2.847 ( 0.778 1.253 -1.107) 1.844 2.858 ( -1.003 0.385 -1.131) 1.560 2.909 ( -0.007 2.757 0.874) 2.892 2.936 ( -0.230 0.283 -0.018) 0.366 2.964 ( -1.379 0.144 1.892) 2.345 2.971 ( -1.579 -0.529 0.254) 1.685 3.057 ( -2.585 0.676 1.161) 2.913 3.073 ( -1.427 -0.450 0.622) 1.620 3.135 ( -0.204 1.609 -1.441) 2.170 3.174 ( 0.550 -2.310 -2.537) 3.475 3.239 ( -0.086 3.391 1.904) 3.890 3.301 ( -0.422 -2.517 1.087) 2.774 5.887 ( -0.580 0.583 0.348) 0.893 5.899 ( -0.774 -0.514 -0.004) 0.929 5.909 ( -0.419 -0.025 0.074) 0.427 5.910 ( -0.445 -0.058 -0.120) 0.465 7.512 ( 1.308 0.262 0.087) 1.337 7.515 ( 1.349 0.196 -0.209) 1.379 7.589 ( 1.571 2.584 -1.033) 3.196 7.638 ( 2.063 -2.040 -2.166) 3.621 7.724 ( -1.223 1.278 1.327) 2.212 7.740 ( -1.460 2.913 0.045) 3.259 7.774 ( -0.293 -1.926 3.244) 3.784 7.839 ( -1.417 -4.672 0.708) 4.933 8.170 ( 1.457 2.609 -0.455) 3.023 8.224 ( 2.205 -2.601 -1.153) 3.600 8.341 ( -1.536 3.580 -1.212) 4.080 8.402 ( 0.743 -2.413 -1.950) 3.190======================= Grid point 51 (23/36) =======================q-point: ( 0.29 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.532 ( 8.024 5.271 -2.719) 9.978 0.637 ( 4.788 -3.738 -3.386) 6.954 0.659 ( 6.041 5.245 0.208) 8.003 0.778 ( 2.163 -2.852 -1.355) 3.827 0.840 ( 2.193 2.975 -2.271) 4.338 0.947 ( 2.751 -4.188 -1.897) 5.358 0.982 ( 1.762 0.797 1.381) 2.377 1.023 ( 0.602 -2.873 0.094) 2.937 1.047 ( -2.717 2.815 0.086) 3.913 1.073 ( 0.203 -0.372 -0.913) 1.007 1.099 ( 0.355 0.866 0.605) 1.114 1.138 ( 0.106 0.288 3.457) 3.471 1.164 ( 0.869 -4.214 1.737) 4.640 1.183 ( 1.430 -2.275 2.967) 4.003 1.247 ( 1.376 1.108 -1.605) 2.387 1.262 ( 2.844 0.355 -3.649) 4.640 1.294 ( 2.960 0.351 0.113) 2.983 1.329 ( 1.220 -1.236 -0.812) 1.917 1.392 ( 3.136 1.408 -0.538) 3.479 1.440 ( 1.792 -2.823 0.737) 3.424 1.568 ( 2.452 2.545 -0.133) 3.537 1.596 ( 1.324 -0.142 1.196) 1.790 1.634 ( -0.555 2.601 0.369) 2.686 1.670 ( 1.228 -1.448 -0.906) 2.104 1.731 ( 1.957 3.211 0.101) 3.761 1.751 ( 0.361 1.570 -2.262) 2.777 1.807 ( -0.038 -1.365 -2.037) 2.452 1.809 ( 2.002 -1.809 0.906) 2.846 1.855 ( 0.423 0.458 1.064) 1.233 1.866 ( 0.209 0.867 0.943) 1.298 1.876 ( 2.252 -0.256 1.698) 2.832 1.918 ( -0.201 -3.089 0.645) 3.162 1.964 ( -2.092 4.897 -1.320) 5.486 2.027 ( 0.625 -0.942 -0.791) 1.380 2.047 ( 0.266 1.125 -0.621) 1.312 2.074 ( -1.706 0.859 -0.643) 2.015 2.115 ( -2.598 0.984 1.235) 3.040 2.141 ( 0.222 -2.453 -0.659) 2.550 2.152 ( -1.375 0.599 0.675) 1.644 2.251 ( -4.577 -6.555 1.415) 8.119 2.534 ( -1.160 2.818 0.224) 3.055 2.573 ( -1.388 3.130 -0.607) 3.478 2.601 ( 0.064 -2.927 0.540) 2.977 2.639 ( -0.562 -2.579 -0.340) 2.661 2.832 ( -1.422 1.399 -1.336) 2.401 2.851 ( -0.100 0.122 -0.853) 0.868 2.912 ( -0.560 0.636 0.543) 1.007 2.925 ( -2.553 -0.474 0.806) 2.718 2.931 ( -0.625 0.583 0.957) 1.284 2.942 ( -0.465 -0.349 0.749) 0.948 3.003 ( -2.713 1.470 1.066) 3.265 3.037 ( -2.131 -1.196 0.560) 2.507 3.128 ( -0.381 2.273 -1.478) 2.738 3.180 ( 0.307 -2.837 -2.068) 3.524 3.229 ( -0.837 2.826 2.094) 3.616 3.284 ( -1.334 -2.447 0.975) 2.953 5.875 ( -0.514 0.388 0.248) 0.690 5.883 ( -0.791 -0.318 -0.120) 0.861 5.898 ( -0.689 -0.008 0.079) 0.694 5.898 ( -0.687 -0.066 0.094) 0.697 7.543 ( 1.741 0.885 0.293) 1.975 7.551 ( 2.197 0.550 -0.844) 2.417 7.616 ( 0.941 1.873 -0.406) 2.135 7.660 ( 0.041 -1.572 -1.773) 2.370 7.690 ( -1.824 1.008 0.085) 2.086 7.714 ( -1.089 2.302 0.676) 2.635 7.754 ( -1.885 -1.822 1.648) 3.097 7.814 ( -0.972 -4.114 2.046) 4.696 8.206 ( 2.064 3.373 -1.280) 4.156 8.278 ( 3.010 -3.534 -1.598) 4.909 8.318 ( -0.829 4.758 -0.619) 4.869 8.409 ( 0.015 -4.079 -1.301) 4.282======================= Grid point 52 (24/36) =======================q-point: ( 0.43 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.664 ( 4.262 1.536 -4.189) 6.170 0.706 ( 2.976 -1.194 -4.341) 5.397 0.786 ( 2.438 2.529 -2.374) 4.240 0.795 ( 3.357 3.829 0.856) 5.164 0.908 ( 3.573 -1.674 -1.560) 4.243 0.922 ( -4.296 0.236 -2.747) 5.105 0.973 ( -2.534 -1.310 0.511) 2.898 0.995 ( -0.769 -2.839 0.840) 3.059 1.051 ( 1.020 -0.786 -0.693) 1.462 1.090 ( -0.487 1.184 1.871) 2.267 1.101 ( 1.433 -3.217 1.882) 3.993 1.140 ( -0.232 -0.529 -1.729) 1.823 1.173 ( -0.150 -1.593 1.635) 2.288 1.220 ( 1.905 -3.253 0.249) 3.778 1.256 ( -0.477 1.256 -1.509) 2.020 1.279 ( 0.656 -0.379 0.108) 0.765 1.343 ( 1.959 0.994 -2.336) 3.207 1.362 ( 1.343 -0.505 -3.527) 3.807 1.420 ( -2.613 0.441 -0.900) 2.799 1.440 ( 0.952 -1.521 -1.011) 2.059 1.619 ( 1.688 1.766 0.177) 2.449 1.639 ( 0.689 3.866 0.687) 3.986 1.653 ( 2.611 -2.325 -0.524) 3.535 1.700 ( 1.456 -1.294 -0.181) 1.956 1.739 ( -0.398 2.072 -0.512) 2.171 1.775 ( 2.151 2.846 1.470) 3.858 1.801 ( -0.909 3.237 -0.599) 3.416 1.827 ( 0.543 2.106 1.009) 2.397 1.865 ( -1.243 4.058 1.152) 4.398 1.876 ( 1.953 -2.428 3.239) 4.495 1.922 ( 1.974 -1.998 -0.052) 2.809 1.933 ( 2.460 1.077 1.273) 2.972 1.955 ( 1.272 -1.756 -0.483) 2.221 2.013 ( -2.008 0.025 0.257) 2.025 2.025 ( -4.323 -0.501 1.074) 4.483 2.034 ( -1.341 -1.590 0.353) 2.110 2.103 ( 1.609 0.700 0.206) 1.767 2.131 ( -1.245 -1.914 -0.456) 2.329 2.137 ( -0.914 -0.872 0.437) 1.336 2.170 ( -2.066 -5.092 1.129) 5.610 2.525 ( 0.125 4.709 -0.046) 4.711 2.546 ( -1.116 5.324 -0.033) 5.440 2.611 ( 0.536 -3.595 -0.088) 3.636 2.634 ( -0.066 -3.278 0.256) 3.289 2.814 ( -0.312 1.266 -1.590) 2.056 2.851 ( 0.163 -1.529 -0.656) 1.672 2.875 ( -2.019 0.573 0.193) 2.107 2.883 ( -1.377 -0.203 0.469) 1.469 2.929 ( 0.170 1.099 0.712) 1.321 2.948 ( 0.595 -0.766 0.005) 0.970 2.962 ( -1.244 1.400 1.185) 2.216 3.000 ( -1.374 -1.614 0.934) 2.317 3.122 ( -0.184 2.771 -1.088) 2.982 3.190 ( 0.595 -3.408 -1.543) 3.789 3.214 ( -0.564 2.025 2.214) 3.053 3.257 ( -1.080 -2.115 1.124) 2.627 5.870 ( -0.056 0.087 -0.047) 0.113 5.872 ( -0.209 -0.138 -0.195) 0.317 5.884 ( -0.557 0.157 0.208) 0.615 5.888 ( -0.348 -0.103 0.381) 0.526 7.576 ( 1.542 1.968 0.121) 2.504 7.590 ( 1.306 2.052 -1.365) 2.789 7.618 ( -0.875 1.551 0.123) 1.785 7.644 ( -0.468 -1.451 -1.024) 1.836 7.679 ( 0.135 -2.260 -1.892) 2.951 7.693 ( -1.131 -2.019 0.259) 2.328 7.719 ( -1.084 3.063 2.646) 4.190 7.798 ( -0.588 -3.493 2.802) 4.516 8.239 ( 1.129 4.116 -2.147) 4.778 8.306 ( -0.299 4.928 0.168) 4.940 8.329 ( 1.677 -4.356 -2.405) 5.251 8.404 ( -0.401 -4.346 -0.159) 4.367======================= Grid point 70 (25/36) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.258 ( 0.000 0.000 4.512) 4.512 0.288 ( 0.000 0.000 4.583) 4.583 0.440 ( 0.000 0.000 0.444) 0.444 0.546 ( 0.000 0.000 -6.879) 6.879 0.756 ( 0.000 0.000 15.612) 15.612 0.900 ( 0.000 0.000 -1.646) 1.646 0.900 ( 0.000 0.000 -1.767) 1.767 0.955 ( 0.000 0.000 4.380) 4.380 0.974 ( 0.000 0.000 -4.532) 4.532 1.031 ( 0.000 0.000 -2.394) 2.394 1.156 ( 0.000 0.000 -0.104) 0.104 1.177 ( 0.000 0.000 -2.590) 2.590 1.184 ( 0.000 0.000 -4.635) 4.635 1.188 ( 0.000 0.000 -3.648) 3.648 1.233 ( 0.000 0.000 3.382) 3.382 1.284 ( 0.000 0.000 -0.756) 0.756 1.347 ( 0.000 0.000 4.468) 4.468 1.410 ( 0.000 0.000 -0.736) 0.736 1.471 ( 0.000 0.000 7.956) 7.956 1.526 ( 0.000 0.000 1.719) 1.719 1.544 ( 0.000 0.000 0.094) 0.094 1.559 ( 0.000 0.000 -3.137) 3.137 1.572 ( 0.000 0.000 0.359) 0.359 1.634 ( 0.000 0.000 2.348) 2.348 1.666 ( 0.000 0.000 -7.362) 7.362 1.708 ( 0.000 0.000 -4.319) 4.319 1.719 ( 0.000 0.000 2.064) 2.064 1.758 ( 0.000 0.000 -1.546) 1.546 1.840 ( 0.000 0.000 1.355) 1.355 1.860 ( 0.000 0.000 1.311) 1.311 1.868 ( 0.000 0.000 0.316) 0.316 1.869 ( 0.000 0.000 -1.162) 1.162 1.966 ( 0.000 0.000 -0.411) 0.411 1.976 ( 0.000 0.000 -0.483) 0.483 2.014 ( 0.000 0.000 0.098) 0.098 2.021 ( 0.000 0.000 -1.042) 1.042 2.120 ( 0.000 0.000 3.704) 3.704 2.200 ( 0.000 0.000 -4.116) 4.116 2.207 ( 0.000 0.000 2.152) 2.152 2.233 ( 0.000 0.000 -0.382) 0.382 2.656 ( 0.000 0.000 0.731) 0.731 2.676 ( 0.000 0.000 1.492) 1.492 2.686 ( 0.000 0.000 -2.158) 2.158 2.693 ( 0.000 0.000 -0.332) 0.332 2.780 ( 0.000 0.000 1.943) 1.943 2.806 ( 0.000 0.000 -0.626) 0.626 2.841 ( 0.000 0.000 3.605) 3.605 2.904 ( 0.000 0.000 -2.440) 2.440 2.917 ( 0.000 0.000 1.405) 1.405 2.956 ( 0.000 0.000 -2.438) 2.438 3.036 ( 0.000 0.000 -0.496) 0.496 3.038 ( 0.000 0.000 -0.704) 0.704 3.182 ( 0.000 0.000 1.882) 1.882 3.193 ( 0.000 0.000 2.765) 2.765 3.216 ( 0.000 0.000 -1.448) 1.448 3.247 ( 0.000 0.000 -2.394) 2.394 5.894 ( 0.000 0.000 0.797) 0.797 5.908 ( 0.000 0.000 -0.529) 0.529 5.915 ( 0.000 0.000 0.215) 0.215 5.920 ( 0.000 0.000 -0.245) 0.245 7.446 ( 0.000 0.000 0.898) 0.898 7.469 ( 0.000 0.000 -1.310) 1.310 7.569 ( 0.000 0.000 2.475) 2.475 7.613 ( 0.000 0.000 -1.706) 1.706 7.680 ( 0.000 0.000 0.624) 0.624 7.695 ( 0.000 0.000 -0.825) 0.825 8.034 ( 0.000 0.000 1.808) 1.808 8.069 ( 0.000 0.000 -1.571) 1.571 8.118 ( 0.000 0.000 1.124) 1.124 8.137 ( 0.000 0.000 -0.563) 0.563 8.258 ( 0.000 0.000 0.092) 0.092 8.273 ( 0.000 0.000 -1.271) 1.271======================= Grid point 71 (26/36) =======================q-point: ( 0.14 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.355 ( 8.036 0.000 3.544) 8.783 0.405 ( 7.882 0.000 0.852) 7.928 0.523 ( 6.859 0.000 3.682) 7.785 0.647 ( 8.561 0.000 -5.762) 10.319 0.777 ( 3.765 0.000 9.445) 10.168 0.868 ( -1.884 0.000 -2.595) 3.206 0.942 ( 3.961 0.000 0.620) 4.009 0.983 ( 2.195 0.000 4.360) 4.881 1.022 ( 3.411 0.000 -2.317) 4.124 1.065 ( 2.861 0.000 -2.972) 4.125 1.143 ( -0.931 0.000 -1.717) 1.953 1.148 ( -2.020 0.000 -3.911) 4.402 1.188 ( 0.193 0.000 -2.686) 2.693 1.194 ( 0.635 0.000 -2.580) 2.657 1.244 ( 0.798 0.000 3.514) 3.604 1.301 ( 0.843 0.000 -0.961) 1.279 1.364 ( 1.181 0.000 3.480) 3.675 1.397 ( -0.381 0.000 0.253) 0.458 1.448 ( 0.004 0.000 6.925) 6.925 1.499 ( -3.138 0.000 1.981) 3.711 1.543 ( -1.397 0.000 -2.187) 2.595 1.561 ( 0.735 0.000 -3.835) 3.905 1.599 ( 2.325 0.000 1.273) 2.650 1.645 ( -1.209 0.000 -4.469) 4.629 1.688 ( -8.021 0.000 6.416) 10.271 1.698 ( 3.844 0.000 3.157) 4.974 1.726 ( 1.123 0.000 2.306) 2.565 1.775 ( 3.883 0.000 -4.035) 5.599 1.775 ( 1.562 0.000 -2.444) 2.901 1.809 ( -3.173 0.000 -4.141) 5.217 1.879 ( 0.514 0.000 1.607) 1.687 1.893 ( 0.928 0.000 0.166) 0.943 1.974 ( -0.951 0.000 0.780) 1.230 1.977 ( 0.403 0.000 0.068) 0.408 1.984 ( 0.622 0.000 -0.111) 0.632 2.005 ( 0.826 0.000 -2.543) 2.674 2.192 ( -1.553 0.000 2.063) 2.582 2.218 ( -1.579 0.000 -0.459) 1.644 2.263 ( 4.125 0.000 -0.195) 4.130 2.285 ( 8.051 0.000 -2.703) 8.493 2.600 ( -5.066 0.000 0.096) 5.067 2.601 ( -4.430 0.000 -0.164) 4.433 2.731 ( -0.304 0.000 1.016) 1.061 2.739 ( 1.694 0.000 0.151) 1.701 2.775 ( 2.581 0.000 -0.101) 2.583 2.776 ( -1.586 0.000 -0.293) 1.613 2.856 ( 0.930 0.000 2.772) 2.924 2.903 ( -0.504 0.000 1.889) 1.955 2.905 ( 0.263 0.000 -2.037) 2.054 2.952 ( -0.371 0.000 -2.495) 2.523 3.058 ( 1.452 0.000 -0.330) 1.489 3.061 ( 0.923 0.000 -0.464) 1.033 3.139 ( -3.226 0.000 1.506) 3.561 3.142 ( -3.180 0.000 0.898) 3.304 3.247 ( 1.445 0.000 -1.270) 1.924 3.252 ( 0.106 0.000 -1.343) 1.348 5.889 ( -0.479 0.000 0.803) 0.935 5.903 ( -0.533 0.000 -0.516) 0.742 5.909 ( -0.606 0.000 0.176) 0.631 5.913 ( -0.634 0.000 -0.229) 0.674 7.461 ( 1.512 0.000 0.898) 1.759 7.486 ( 1.633 0.000 -1.421) 2.165 7.588 ( 1.473 0.000 2.668) 3.048 7.635 ( 1.120 0.000 -1.791) 2.112 7.671 ( -0.450 0.000 0.768) 0.891 7.690 ( -0.271 0.000 -1.044) 1.078 7.973 ( -4.888 0.000 0.251) 4.895 7.973 ( -5.826 0.000 0.131) 5.828 8.138 ( 0.503 0.000 0.582) 0.769 8.145 ( 0.397 0.000 -0.085) 0.406 8.305 ( 3.982 0.000 0.966) 4.097 8.347 ( 5.295 0.000 -3.471) 6.332======================= Grid point 72 (27/36) =======================q-point: ( 0.29 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.514 ( 7.772 0.000 1.940) 8.010 0.534 ( 5.624 0.000 2.514) 6.160 0.627 ( 4.249 0.000 3.258) 5.355 0.780 ( 2.849 0.000 -8.276) 8.753 0.867 ( 2.535 0.000 1.739) 3.074 0.907 ( 6.628 0.000 -1.079) 6.715 1.003 ( 0.037 0.000 1.220) 1.221 1.023 ( -2.991 0.000 -0.930) 3.133 1.040 ( 5.640 0.000 3.008) 6.392 1.110 ( 2.968 0.000 -3.843) 4.855 1.163 ( 3.854 0.000 -1.278) 4.060 1.187 ( 1.860 0.000 1.661) 2.494 1.192 ( 3.101 0.000 -2.579) 4.034 1.209 ( 1.071 0.000 -0.641) 1.248 1.267 ( 1.924 0.000 0.551) 2.002 1.291 ( -2.256 0.000 0.339) 2.281 1.371 ( 0.242 0.000 1.936) 1.952 1.381 ( -2.223 0.000 0.380) 2.255 1.429 ( -3.246 0.000 2.999) 4.419 1.493 ( -3.584 0.000 -2.861) 4.586 1.498 ( -5.497 0.000 3.674) 6.611 1.503 ( 2.314 0.000 4.215) 4.808 1.581 ( -1.690 0.000 -3.354) 3.756 1.584 ( -1.793 0.000 -4.437) 4.785 1.699 ( 4.588 0.000 3.356) 5.684 1.761 ( 1.826 0.000 -0.417) 1.872 1.778 ( 3.281 0.000 1.724) 3.707 1.792 ( 2.267 0.000 -0.420) 2.305 1.824 ( 3.356 0.000 -1.930) 3.871 1.825 ( 0.826 0.000 -2.210) 2.359 1.888 ( 0.866 0.000 1.508) 1.739 1.914 ( 1.613 0.000 -1.320) 2.084 1.983 ( 1.923 0.000 1.261) 2.300 1.987 ( 1.043 0.000 0.635) 1.221 2.023 ( 2.805 0.000 0.164) 2.810 2.044 ( 2.830 0.000 -1.923) 3.421 2.149 ( -2.782 0.000 1.426) 3.127 2.170 ( -3.307 0.000 -0.707) 3.382 2.306 ( -0.012 0.000 2.622) 2.622 2.359 ( 0.245 0.000 -2.645) 2.657 2.481 ( -6.843 0.000 0.169) 6.845 2.485 ( -7.062 0.000 -0.191) 7.064 2.720 ( -0.430 0.000 0.304) 0.526 2.728 ( -1.241 0.000 -0.324) 1.283 2.783 ( 0.899 0.000 1.464) 1.718 2.814 ( 0.638 0.000 -1.510) 1.639 2.848 ( -1.234 0.000 2.712) 2.980 2.899 ( -1.857 0.000 -2.171) 2.857 2.947 ( 3.918 0.000 1.006) 4.045 2.961 ( 1.353 0.000 -0.234) 1.373 3.017 ( -3.801 0.000 1.635) 4.138 3.045 ( -1.980 0.000 -1.145) 2.287 3.120 ( 0.979 0.000 0.910) 1.336 3.127 ( 0.945 0.000 0.601) 1.120 3.246 ( -0.607 0.000 -0.817) 1.018 3.263 ( 0.159 0.000 -2.751) 2.756 5.878 ( -0.497 0.000 0.655) 0.822 5.889 ( -0.775 0.000 -0.354) 0.852 5.896 ( -0.674 0.000 0.157) 0.692 5.900 ( -0.710 0.000 -0.213) 0.742 7.497 ( 2.017 0.000 1.005) 2.254 7.524 ( 2.046 0.000 -1.405) 2.482 7.603 ( -0.033 0.000 1.892) 1.892 7.622 ( -1.510 0.000 0.053) 1.511 7.676 ( 0.037 0.000 0.278) 0.280 7.694 ( 0.483 0.000 -1.381) 1.463 7.883 ( -3.879 0.000 -0.127) 3.882 7.888 ( -2.980 0.000 -0.711) 3.063 8.145 ( 0.319 0.000 0.503) 0.596 8.150 ( 0.216 0.000 -0.048) 0.221 8.384 ( 3.838 0.000 1.160) 4.009 8.429 ( 2.961 0.000 -3.453) 4.549======================= Grid point 73 (28/36) =======================q-point: ( 0.43 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.628 ( 3.780 0.000 1.757) 4.169 0.631 ( 3.696 0.000 0.637) 3.750 0.702 ( 3.592 0.000 0.389) 3.613 0.775 ( -2.893 0.000 -4.858) 5.655 0.879 ( -0.415 0.000 -0.327) 0.529 0.911 ( -2.965 0.000 -3.036) 4.244 1.047 ( 5.220 0.000 0.916) 5.299 1.082 ( 5.402 0.000 -1.958) 5.745 1.132 ( 3.266 0.000 1.670) 3.668 1.157 ( 1.355 0.000 -0.550) 1.463 1.176 ( -1.144 0.000 1.044) 1.549 1.190 ( -4.157 0.000 1.303) 4.356 1.214 ( 0.464 0.000 0.403) 0.614 1.264 ( -1.513 0.000 -2.929) 3.297 1.290 ( 0.953 0.000 0.050) 0.954 1.293 ( 3.231 0.000 -0.268) 3.242 1.330 ( -0.111 0.000 1.012) 1.018 1.361 ( -2.095 0.000 1.808) 2.768 1.373 ( -0.746 0.000 -1.446) 1.627 1.420 ( -3.627 0.000 -2.573) 4.447 1.447 ( 1.571 0.000 2.609) 3.045 1.498 ( -3.394 0.000 -2.040) 3.960 1.568 ( 2.544 0.000 1.607) 3.009 1.598 ( -0.412 0.000 -1.275) 1.340 1.774 ( 2.636 0.000 1.311) 2.944 1.791 ( 0.848 0.000 -0.366) 0.923 1.818 ( 1.010 0.000 0.601) 1.175 1.823 ( 0.224 0.000 0.978) 1.004 1.834 ( 0.692 0.000 -0.569) 0.896 1.847 ( -0.598 0.000 -1.116) 1.266 1.964 ( 5.395 0.000 1.514) 5.604 1.980 ( 4.020 0.000 -0.359) 4.036 2.021 ( 2.811 0.000 0.497) 2.855 2.024 ( 2.519 0.000 0.488) 2.566 2.069 ( 1.120 0.000 1.139) 1.598 2.079 ( -1.361 0.000 0.111) 1.366 2.092 ( -2.952 0.000 0.337) 2.971 2.107 ( -2.393 0.000 -1.011) 2.598 2.279 ( -0.958 0.000 2.467) 2.646 2.317 ( -3.716 0.000 -1.180) 3.899 2.373 ( -3.336 0.000 -0.056) 3.336 2.375 ( -3.304 0.000 -0.230) 3.312 2.711 ( -0.345 0.000 -0.073) 0.353 2.712 ( -0.305 0.000 -0.224) 0.379 2.803 ( 1.103 0.000 0.877) 1.409 2.809 ( -0.204 0.000 0.334) 0.391 2.832 ( -0.783 0.000 -0.405) 0.882 2.845 ( -2.807 0.000 -1.471) 3.169 2.954 ( -0.963 0.000 0.890) 1.312 2.959 ( -0.946 0.000 0.486) 1.064 3.023 ( 2.320 0.000 1.605) 2.821 3.042 ( 0.375 0.000 -0.076) 0.382 3.140 ( 0.751 0.000 1.390) 1.579 3.142 ( 0.478 0.000 1.267) 1.354 3.239 ( 0.152 0.000 -1.677) 1.684 3.253 ( -0.988 0.000 -2.927) 3.089 5.873 ( 0.035 0.000 0.304) 0.306 5.877 ( -0.352 0.000 -0.092) 0.364 5.885 ( -0.324 0.000 0.107) 0.342 5.887 ( -0.500 0.000 -0.041) 0.502 7.532 ( 1.443 0.000 0.961) 1.733 7.548 ( 0.042 0.000 -0.326) 0.329 7.601 ( -0.006 0.000 0.982) 0.982 7.603 ( -0.308 0.000 0.670) 0.737 7.672 ( 0.135 0.000 -0.748) 0.760 7.689 ( -1.121 0.000 -2.189) 2.459 7.840 ( -0.527 0.000 0.491) 0.720 7.850 ( -1.243 0.000 -0.463) 1.326 8.151 ( 0.271 0.000 0.223) 0.350 8.153 ( 0.049 0.000 0.011) 0.050 8.443 ( 2.106 0.000 0.054) 2.107 8.461 ( 0.301 0.000 -1.728) 1.754======================= Grid point 77 (29/36) =======================q-point: ( 0.00 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.285 ( 0.000 0.540 7.532) 7.551 0.378 ( 0.000 5.662 7.160) 9.128 0.434 ( 0.000 0.523 -5.942) 5.965 0.538 ( 0.000 1.722 -6.954) 7.164 0.811 ( 0.000 3.817 6.268) 7.339 0.884 ( 0.000 -0.774 -3.403) 3.490 0.915 ( 0.000 -1.952 3.713) 4.195 0.964 ( 0.000 3.659 0.069) 3.660 1.003 ( 0.000 -1.264 1.762) 2.169 1.036 ( 0.000 1.342 1.454) 1.979 1.077 ( 0.000 -6.063 -1.312) 6.203 1.122 ( 0.000 -1.310 -2.047) 2.430 1.183 ( 0.000 -0.498 -2.726) 2.771 1.187 ( 0.000 0.660 -6.109) 6.144 1.243 ( 0.000 0.832 3.577) 3.672 1.294 ( 0.000 0.832 -0.658) 1.061 1.371 ( 0.000 -3.736 3.673) 5.239 1.408 ( 0.000 -1.645 0.288) 1.670 1.454 ( 0.000 -2.639 4.829) 5.503 1.464 ( 0.000 -0.002 3.647) 3.647 1.502 ( 0.000 -1.995 0.314) 2.020 1.548 ( 0.000 1.559 -3.760) 4.071 1.587 ( 0.000 0.733 -0.415) 0.843 1.633 ( 0.000 0.518 -2.534) 2.587 1.685 ( 0.000 -1.627 5.336) 5.579 1.728 ( 0.000 1.081 -1.654) 1.976 1.731 ( 0.000 1.692 0.386) 1.735 1.779 ( 0.000 0.343 -0.164) 0.380 1.797 ( 0.000 0.282 -1.701) 1.725 1.823 ( 0.000 -0.272 -4.326) 4.335 1.876 ( 0.000 1.129 2.135) 2.415 1.926 ( 0.000 0.560 -2.068) 2.143 1.965 ( 0.000 -0.171 -0.647) 0.669 1.975 ( 0.000 -0.503 -1.418) 1.505 1.985 ( 0.000 -2.674 2.420) 3.607 2.041 ( 0.000 0.146 -3.541) 3.544 2.164 ( 0.000 2.754 2.489) 3.712 2.194 ( 0.000 -0.751 1.302) 1.503 2.229 ( 0.000 0.743 0.030) 0.743 2.248 ( 0.000 4.143 -3.655) 5.524 2.607 ( 0.000 -1.960 1.007) 2.203 2.637 ( 0.000 -2.495 -1.963) 3.174 2.679 ( 0.000 -2.062 0.314) 2.085 2.684 ( 0.000 -2.264 -0.009) 2.264 2.796 ( 0.000 2.062 2.589) 3.310 2.831 ( 0.000 2.796 -0.574) 2.855 2.887 ( 0.000 2.152 1.843) 2.834 2.912 ( 0.000 0.893 -0.715) 1.144 2.970 ( 0.000 1.429 -0.545) 1.530 2.975 ( 0.000 3.432 -0.018) 3.432 3.046 ( 0.000 1.082 -1.110) 1.550 3.051 ( 0.000 1.096 -1.065) 1.529 3.158 ( 0.000 -1.064 1.035) 1.484 3.173 ( 0.000 -2.079 -0.579) 2.158 3.228 ( 0.000 2.123 3.140) 3.791 3.290 ( 0.000 1.893 -2.750) 3.338 5.896 ( 0.000 0.205 0.704) 0.733 5.908 ( 0.000 0.055 -0.479) 0.482 5.914 ( 0.000 -0.093 0.131) 0.160 5.917 ( 0.000 -0.271 -0.138) 0.304 7.468 ( 0.000 1.796 -0.034) 1.796 7.478 ( 0.000 0.793 -0.830) 1.148 7.565 ( 0.000 -0.335 2.128) 2.154 7.604 ( 0.000 -0.837 -1.589) 1.796 7.701 ( 0.000 1.981 0.466) 2.035 7.712 ( 0.000 1.519 -0.488) 1.595 7.949 ( 0.000 -6.644 2.156) 6.985 7.965 ( 0.000 -5.162 0.257) 5.169 8.135 ( 0.000 1.114 1.556) 1.913 8.179 ( 0.000 0.717 -2.810) 2.900 8.305 ( 0.000 3.205 -0.776) 3.298 8.306 ( 0.000 2.362 -0.744) 2.477======================= Grid point 78 (30/36) =======================q-point: ( 0.14 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.353 ( 6.190 0.211 5.744) 8.447 0.460 ( 4.442 3.970 -3.129) 6.730 0.528 ( 10.014 -0.845 3.714) 10.714 0.637 ( 8.058 1.073 -3.865) 9.001 0.773 ( -1.200 1.802 0.382) 2.198 0.913 ( 1.256 -2.130 -0.643) 2.555 0.946 ( 1.078 1.661 3.363) 3.902 0.972 ( 2.311 -0.035 0.865) 2.468 1.018 ( 2.632 -0.084 -0.504) 2.681 1.073 ( 0.999 -1.932 -0.980) 2.386 1.105 ( 3.011 1.100 1.869) 3.711 1.139 ( 1.605 -2.595 -1.710) 3.498 1.177 ( -0.077 1.072 -4.571) 4.696 1.191 ( 0.902 -0.075 -3.476) 3.592 1.241 ( 0.384 -0.175 2.747) 2.780 1.309 ( -0.202 0.106 0.537) 0.584 1.323 ( -1.636 -3.430 -0.043) 3.800 1.373 ( -2.347 -2.331 4.828) 5.852 1.450 ( -4.042 -4.470 1.436) 6.195 1.476 ( 0.419 2.177 2.047) 3.017 1.514 ( 2.407 -2.307 2.059) 3.919 1.567 ( 1.903 1.463 -2.488) 3.457 1.609 ( 1.125 -0.138 -0.760) 1.365 1.628 ( 0.608 0.666 -2.515) 2.672 1.667 ( 0.089 0.596 5.668) 5.700 1.711 ( -1.084 1.108 1.634) 2.252 1.756 ( 0.223 0.701 -3.968) 4.035 1.793 ( 0.295 0.874 0.094) 0.927 1.809 ( 2.123 1.350 -0.787) 2.636 1.823 ( -0.703 -1.632 -3.355) 3.797 1.877 ( 0.815 4.083 0.083) 4.164 1.936 ( 1.561 1.175 -0.274) 1.973 1.953 ( -1.221 -0.829 0.749) 1.655 1.974 ( 1.149 -0.637 -0.650) 1.466 1.993 ( 1.331 -0.934 -1.474) 2.195 2.037 ( -2.234 3.856 0.031) 4.456 2.165 ( 2.343 -3.811 -1.232) 4.640 2.186 ( -0.755 -0.829 1.719) 2.053 2.207 ( -1.242 -0.772 -0.019) 1.463 2.339 ( 4.546 0.878 -1.395) 4.835 2.568 ( -3.289 -1.144 -0.057) 3.482 2.588 ( -4.462 -1.146 -0.055) 4.607 2.667 ( 1.082 -2.984 -0.285) 3.186 2.706 ( -1.611 -2.783 0.568) 3.266 2.820 ( 0.689 2.045 0.444) 2.204 2.840 ( 1.253 1.478 0.279) 1.957 2.870 ( 0.326 3.149 1.779) 3.632 2.909 ( -0.029 1.234 0.076) 1.237 2.946 ( -1.566 1.667 -1.129) 2.551 2.973 ( -0.846 2.265 -0.279) 2.434 3.041 ( 0.278 -0.775 -0.625) 1.034 3.071 ( 0.101 0.570 -0.227) 0.622 3.114 ( -3.130 0.270 0.453) 3.174 3.190 ( 0.702 -2.447 -0.791) 2.665 3.213 ( -1.093 3.092 1.874) 3.777 3.294 ( 0.222 1.485 -1.801) 2.344 5.891 ( -0.507 0.167 0.689) 0.871 5.902 ( -0.723 -0.052 -0.289) 0.781 5.906 ( -0.570 -0.166 -0.197) 0.625 5.913 ( -0.444 -0.043 0.009) 0.446 7.478 ( 1.136 1.417 -0.018) 1.816 7.496 ( 1.673 0.917 -0.708) 2.035 7.585 ( 1.619 -0.210 1.942) 2.537 7.633 ( 2.425 -0.742 -1.523) 2.958 7.685 ( -1.520 1.905 0.419) 2.473 7.705 ( -0.701 1.255 -0.394) 1.490 7.899 ( -3.900 -4.632 0.884) 6.119 7.943 ( -2.341 -3.490 0.507) 4.232 8.133 ( 0.151 1.000 0.450) 1.108 8.217 ( 1.538 2.587 -1.160) 3.225 8.264 ( 0.726 -0.659 -0.396) 1.058 8.378 ( 3.469 0.906 -1.553) 3.908======================= Grid point 79 (31/36) =======================q-point: ( 0.29 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.478 ( 6.139 0.061 2.868) 6.776 0.568 ( 6.608 0.449 -2.002) 6.919 0.680 ( 3.925 4.282 4.591) 7.404 0.755 ( 4.036 -5.798 -0.298) 7.070 0.802 ( 3.564 1.226 -5.697) 6.831 0.929 ( -3.100 -1.676 -2.171) 4.139 0.967 ( 4.862 -0.295 -1.607) 5.129 1.029 ( -1.922 -0.595 0.752) 2.148 1.041 ( 4.242 -0.431 2.505) 4.945 1.113 ( 3.481 -0.910 -1.897) 4.068 1.151 ( 0.005 -1.563 1.471) 2.146 1.164 ( 1.540 -0.742 -1.785) 2.471 1.209 ( 0.898 -0.648 0.253) 1.136 1.215 ( 2.763 2.475 -0.650) 3.766 1.256 ( -0.452 -1.686 1.465) 2.279 1.278 ( -0.788 -1.656 -0.749) 1.981 1.319 ( 0.480 -2.848 2.138) 3.593 1.352 ( 1.134 -0.041 -1.171) 1.631 1.386 ( -1.922 -3.705 1.885) 4.580 1.478 ( -0.892 -0.185 0.572) 1.076 1.535 ( 0.202 2.774 1.924) 3.382 1.568 ( -2.554 3.698 0.553) 4.528 1.619 ( -1.506 1.758 -3.695) 4.360 1.632 ( 1.843 1.468 -0.560) 2.422 1.712 ( 4.026 0.600 3.300) 5.240 1.727 ( 2.034 -0.464 0.998) 2.312 1.755 ( 0.592 0.123 -0.879) 1.067 1.794 ( 0.161 -1.639 -1.129) 1.997 1.804 ( 1.364 0.477 -4.005) 4.258 1.865 ( 1.786 2.444 0.452) 3.061 1.912 ( 2.595 2.580 1.261) 3.870 1.935 ( -0.233 -0.029 0.589) 0.635 1.981 ( 1.723 -0.150 0.089) 1.732 1.993 ( 0.668 0.112 0.179) 0.700 2.026 ( 2.605 0.768 0.524) 2.765 2.043 ( 2.560 0.071 -1.133) 2.801 2.133 ( -3.053 -1.279 0.438) 3.339 2.163 ( -1.730 -0.594 -0.085) 1.831 2.230 ( 0.624 -4.902 0.511) 4.968 2.367 ( -2.068 -2.458 -0.216) 3.219 2.487 ( -4.425 1.719 -0.058) 4.747 2.499 ( -4.558 1.678 -0.216) 4.862 2.674 ( -0.698 -2.588 0.085) 2.681 2.682 ( 0.368 -2.915 -0.089) 2.940 2.824 ( -1.485 -1.196 0.634) 2.009 2.832 ( 0.658 2.529 1.094) 2.833 2.870 ( -1.820 3.499 -1.000) 4.069 2.924 ( 0.393 -0.676 0.683) 1.038 2.935 ( -1.172 1.309 -0.359) 1.794 2.955 ( 0.638 -0.232 -0.044) 0.680 3.026 ( -2.341 -0.965 1.157) 2.784 3.044 ( -2.200 0.073 -0.455) 2.248 3.089 ( 1.550 1.361 0.711) 2.182 3.194 ( -0.285 -2.201 -1.328) 2.586 3.204 ( 0.109 2.632 0.568) 2.694 3.291 ( -0.584 0.992 -1.233) 1.687 5.879 ( -0.555 0.070 0.518) 0.762 5.885 ( -0.844 -0.274 -0.122) 0.895 5.894 ( -0.651 0.020 -0.245) 0.696 5.903 ( -0.601 0.098 0.071) 0.613 7.508 ( 1.759 1.082 0.088) 2.067 7.533 ( 1.850 0.751 -0.409) 2.038 7.606 ( 0.240 0.371 0.684) 0.814 7.653 ( -1.314 1.548 0.633) 2.127 7.675 ( 1.296 0.510 -0.122) 1.397 7.687 ( -0.903 -0.303 -0.659) 1.158 7.824 ( -3.575 -3.308 -0.227) 4.876 7.898 ( -1.880 -0.941 0.324) 2.127 8.140 ( 0.526 1.064 -0.175) 1.200 8.215 ( -0.323 4.298 -0.047) 4.311 8.326 ( 3.753 -4.109 -0.701) 5.609 8.431 ( 2.042 -0.882 -1.446) 2.653======================= Grid point 80 (32/36) =======================q-point: ( 0.43 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.592 ( 5.374 0.950 -0.146) 5.459 0.668 ( 2.721 -1.775 -0.893) 3.369 0.699 ( -1.415 0.508 -0.256) 1.525 0.793 ( 0.197 1.199 -1.127) 1.657 0.875 ( 0.274 1.065 -1.484) 1.847 0.887 ( 2.576 -5.754 -2.381) 6.739 0.973 ( -2.480 1.822 -0.732) 3.163 1.063 ( 4.456 -1.949 -0.023) 4.864 1.105 ( 0.902 -3.265 1.261) 3.615 1.134 ( -2.263 -3.091 0.285) 3.842 1.141 ( -1.409 -2.935 0.885) 3.374 1.181 ( -0.275 -0.662 -1.615) 1.767 1.190 ( 2.623 0.146 0.586) 2.691 1.258 ( 0.999 -2.228 0.130) 2.445 1.267 ( 1.664 -0.489 -0.663) 1.857 1.310 ( 0.690 -0.927 -1.434) 1.842 1.314 ( 0.013 -3.440 1.099) 3.612 1.343 ( -1.974 -2.552 -0.165) 3.231 1.397 ( -0.792 2.228 0.565) 2.431 1.430 ( -0.757 0.641 -1.850) 2.099 1.525 ( 0.446 10.122 0.368) 10.138 1.565 ( 0.878 2.945 0.338) 3.092 1.581 ( -1.047 4.333 -0.808) 4.530 1.682 ( 1.617 3.609 0.231) 3.962 1.741 ( -0.393 -4.092 0.336) 4.124 1.765 ( 0.184 -2.117 -0.085) 2.127 1.773 ( 1.602 -0.123 0.250) 1.626 1.815 ( 1.044 2.195 0.387) 2.461 1.857 ( 2.598 -1.195 0.028) 2.860 1.880 ( 0.184 2.262 0.125) 2.273 1.957 ( 3.631 -1.152 0.254) 3.818 1.970 ( 2.537 0.121 0.966) 2.717 1.998 ( -0.050 -0.957 0.658) 1.162 2.018 ( 1.749 -1.029 0.279) 2.048 2.052 ( -1.592 -0.954 0.226) 1.869 2.071 ( -3.072 -0.898 0.358) 3.220 2.094 ( 2.742 0.420 -0.206) 2.781 2.147 ( -0.539 1.387 0.224) 1.505 2.208 ( -1.763 -5.068 0.515) 5.390 2.296 ( -2.884 -3.314 0.657) 4.442 2.423 ( -2.132 4.958 -0.226) 5.402 2.429 ( -2.209 4.258 -0.227) 4.802 2.673 ( 0.212 -2.768 -0.026) 2.777 2.688 ( 0.206 -1.925 -0.055) 1.937 2.796 ( -0.938 -1.089 -0.163) 1.447 2.823 ( -0.971 2.594 0.052) 2.771 2.863 ( 0.034 1.615 -0.482) 1.686 2.877 ( -1.664 1.650 0.131) 2.347 2.942 ( -0.585 -0.687 1.005) 1.351 2.962 ( 0.835 -2.699 -0.554) 2.879 2.993 ( -0.961 1.207 1.346) 2.048 3.019 ( -0.368 -2.061 -0.483) 2.148 3.122 ( 0.976 -0.055 2.925) 3.085 3.196 ( 0.606 -0.786 -1.910) 2.152 3.204 ( -0.109 1.223 -0.388) 1.288 3.274 ( -0.915 0.658 -0.837) 1.404 5.872 ( -0.199 -0.131 0.157) 0.285 5.875 ( -0.141 -0.312 -0.021) 0.343 5.882 ( -0.487 0.165 -0.026) 0.515 5.893 ( -0.310 0.200 0.144) 0.396 7.538 ( 1.166 0.844 0.096) 1.443 7.556 ( 0.343 0.824 0.211) 0.917 7.599 ( -0.558 0.967 0.749) 1.344 7.653 ( 1.259 0.857 -0.323) 1.557 7.663 ( -0.752 0.202 -0.406) 0.878 7.683 ( -1.120 0.604 -0.803) 1.505 7.775 ( -1.162 -3.722 -0.025) 3.899 7.875 ( -0.607 0.032 0.656) 0.894 8.150 ( 0.329 1.349 -0.535) 1.488 8.213 ( 0.024 4.098 0.144) 4.100 8.381 ( 1.581 -4.488 -1.099) 4.884 8.457 ( 0.612 -1.542 -0.605) 1.766======================= Grid point 84 (33/36) =======================q-point: ( 0.00 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.289 ( 0.000 1.397 3.365) 3.644 0.350 ( 0.000 -3.776 -0.961) 3.896 0.574 ( 0.000 7.801 -2.324) 8.140 0.622 ( 0.000 3.955 -6.058) 7.235 0.832 ( 0.000 -1.368 2.421) 2.781 0.855 ( 0.000 -2.795 2.418) 3.696 0.871 ( 0.000 -1.541 -1.953) 2.487 0.907 ( 0.000 -5.313 -1.793) 5.607 1.014 ( 0.000 2.440 -1.012) 2.641 1.028 ( 0.000 0.243 -1.354) 1.375 1.090 ( 0.000 2.565 4.591) 5.259 1.116 ( 0.000 -0.548 2.322) 2.385 1.189 ( 0.000 1.653 -2.689) 3.156 1.218 ( 0.000 0.628 -5.674) 5.708 1.249 ( 0.000 -0.374 3.969) 3.987 1.274 ( 0.000 -3.106 2.062) 3.728 1.326 ( 0.000 0.634 1.230) 1.384 1.334 ( 0.000 -1.210 1.123) 1.651 1.398 ( 0.000 -1.614 4.852) 5.113 1.426 ( 0.000 -3.373 2.853) 4.418 1.535 ( 0.000 1.906 0.050) 1.907 1.566 ( 0.000 -1.053 -0.458) 1.148 1.617 ( 0.000 2.297 -2.923) 3.718 1.643 ( 0.000 0.195 -3.006) 3.012 1.698 ( 0.000 2.662 3.285) 4.228 1.738 ( 0.000 -0.015 1.364) 1.364 1.755 ( 0.000 0.858 2.868) 2.994 1.762 ( 0.000 -0.951 -1.665) 1.918 1.801 ( 0.000 -0.218 -2.486) 2.496 1.821 ( 0.000 -1.204 -0.131) 1.211 1.916 ( 0.000 1.082 0.023) 1.082 1.926 ( 0.000 -0.266 -0.531) 0.594 1.945 ( 0.000 1.045 -0.859) 1.353 1.958 ( 0.000 -0.369 -1.180) 1.236 1.963 ( 0.000 -0.656 -1.010) 1.204 2.004 ( 0.000 -3.038 -4.686) 5.585 2.182 ( 0.000 -0.049 1.313) 1.314 2.183 ( 0.000 -0.274 1.264) 1.293 2.291 ( 0.000 3.462 0.243) 3.471 2.317 ( 0.000 1.393 -2.411) 2.785 2.586 ( 0.000 -0.207 0.039) 0.211 2.595 ( 0.000 -1.275 -0.802) 1.506 2.637 ( 0.000 -1.212 0.334) 1.257 2.642 ( 0.000 -1.451 -0.217) 1.467 2.838 ( 0.000 1.859 1.633) 2.475 2.863 ( 0.000 -0.143 -0.248) 0.286 2.912 ( 0.000 0.640 -0.574) 0.860 2.920 ( 0.000 -0.120 -1.086) 1.093 3.009 ( 0.000 1.792 2.156) 2.803 3.021 ( 0.000 0.823 1.999) 2.162 3.071 ( 0.000 0.927 -2.371) 2.546 3.073 ( 0.000 0.761 -1.714) 1.875 3.143 ( 0.000 -0.386 0.889) 0.969 3.145 ( 0.000 -0.657 0.518) 0.836 3.272 ( 0.000 2.053 1.590) 2.597 3.303 ( 0.000 -0.621 -1.165) 1.321 5.902 ( 0.000 0.361 0.438) 0.568 5.909 ( 0.000 -0.157 -0.153) 0.219 5.911 ( 0.000 -0.139 -0.035) 0.143 5.912 ( 0.000 -0.108 -0.064) 0.126 7.496 ( 0.000 0.768 -0.071) 0.772 7.499 ( 0.000 0.758 -0.370) 0.844 7.563 ( 0.000 0.397 0.647) 0.758 7.582 ( 0.000 -1.186 -1.091) 1.611 7.753 ( 0.000 2.365 0.340) 2.390 7.755 ( 0.000 2.933 -0.042) 2.933 7.841 ( 0.000 -3.652 2.109) 4.217 7.860 ( 0.000 -4.576 -0.038) 4.577 8.158 ( 0.000 1.128 0.509) 1.238 8.177 ( 0.000 -0.641 -1.280) 1.432 8.344 ( 0.000 1.094 -0.684) 1.290 8.347 ( 0.000 0.861 -1.120) 1.413======================= Grid point 85 (34/36) =======================q-point: ( 0.14 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.378 ( 7.339 2.607 2.905) 8.313 0.451 ( 7.850 -3.962 -1.982) 9.013 0.588 ( 1.955 6.447 -1.057) 6.820 0.680 ( 4.493 -0.234 -3.760) 5.864 0.818 ( -0.940 1.352 0.800) 1.831 0.843 ( 1.556 -2.387 -0.036) 2.850 0.925 ( 4.427 0.017 0.179) 4.431 0.964 ( 3.614 -3.073 -1.483) 4.971 1.030 ( -0.900 1.512 -1.046) 2.047 1.047 ( 2.656 -1.375 0.165) 2.996 1.103 ( 1.287 0.319 1.127) 1.740 1.118 ( 0.611 -0.749 -1.156) 1.507 1.200 ( 0.552 1.580 0.408) 1.723 1.221 ( 0.388 0.927 0.670) 1.208 1.248 ( 0.121 0.714 -0.681) 0.994 1.250 ( -1.565 -1.926 0.799) 2.608 1.326 ( -1.513 -1.035 4.093) 4.485 1.330 ( 0.601 -0.114 1.626) 1.738 1.367 ( -2.681 -1.287 0.957) 3.124 1.414 ( 1.434 -4.264 1.349) 4.697 1.549 ( 1.045 2.118 1.088) 2.601 1.585 ( 1.354 -1.004 -0.619) 1.796 1.625 ( 1.072 2.422 -1.160) 2.892 1.655 ( 0.142 0.597 -1.708) 1.815 1.698 ( 0.004 2.685 1.444) 3.049 1.741 ( -0.318 1.032 1.845) 2.138 1.755 ( -0.543 -1.177 -2.706) 3.001 1.769 ( 0.867 -1.618 -0.563) 1.920 1.819 ( 2.473 0.786 -0.014) 2.595 1.842 ( 2.324 0.450 -0.494) 2.418 1.915 ( -0.186 0.241 1.229) 1.266 1.929 ( 0.163 -0.994 -0.010) 1.007 1.950 ( 0.085 1.177 -1.024) 1.562 1.972 ( 1.903 0.296 -1.377) 2.368 1.982 ( 2.147 0.035 -0.980) 2.360 2.025 ( 1.582 -3.879 -3.355) 5.367 2.162 ( -1.268 0.901 0.970) 1.834 2.173 ( -1.189 -0.533 1.120) 1.718 2.235 ( -4.153 4.374 0.079) 6.032 2.318 ( -1.022 -2.799 -0.545) 3.030 2.568 ( -1.443 0.799 -0.120) 1.654 2.580 ( -1.122 0.217 -0.240) 1.167 2.622 ( -0.689 -1.021 -0.006) 1.232 2.646 ( -0.779 -2.665 -0.050) 2.777 2.840 ( -0.119 0.396 0.291) 0.505 2.848 ( -1.556 -0.281 -0.135) 1.587 2.919 ( 1.118 1.265 0.150) 1.695 2.928 ( 0.635 0.286 -0.521) 0.869 2.990 ( -2.029 2.115 1.417) 3.255 3.004 ( -1.593 0.576 1.796) 2.469 3.049 ( -1.811 1.130 -1.733) 2.750 3.073 ( -0.700 -0.698 -0.706) 1.215 3.128 ( -1.042 0.700 0.387) 1.314 3.145 ( -0.272 -1.422 -0.253) 1.470 3.272 ( -0.191 2.318 1.277) 2.653 3.303 ( -0.092 -0.632 -0.661) 0.919 5.895 ( -0.673 0.206 0.320) 0.773 5.899 ( -0.890 -0.213 -0.009) 0.915 5.906 ( -0.352 0.173 -0.185) 0.434 5.911 ( -0.321 -0.206 0.052) 0.385 7.507 ( 1.159 1.092 -0.286) 1.618 7.514 ( 1.418 0.463 -0.095) 1.495 7.586 ( 1.842 0.449 0.513) 1.964 7.607 ( 2.049 -1.461 -1.030) 2.719 7.737 ( -1.767 2.015 0.178) 2.685 7.741 ( -1.217 2.495 0.007) 2.776 7.821 ( -1.705 -2.201 1.252) 3.053 7.857 ( -0.313 -4.301 0.770) 4.381 8.163 ( 0.572 1.688 -0.142) 1.788 8.198 ( 1.990 -1.806 -1.044) 2.883 8.320 ( -1.101 3.254 -0.678) 3.502 8.370 ( 1.060 -1.562 -0.902) 2.092======================= Grid point 86 (35/36) =======================q-point: ( 0.29 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.515 ( 6.019 2.680 1.380) 6.732 0.569 ( 4.139 -1.494 -3.287) 5.492 0.669 ( 5.831 1.011 0.541) 5.943 0.748 ( 3.192 -3.581 -1.471) 5.017 0.817 ( 0.570 4.690 0.466) 4.748 0.902 ( 2.060 -1.079 -2.254) 3.239 0.977 ( -0.065 -1.019 -0.698) 1.237 1.002 ( -0.196 -1.538 -1.149) 1.929 1.029 ( 1.994 0.808 -0.326) 2.176 1.073 ( 1.916 -2.396 -0.253) 3.078 1.132 ( 1.267 0.996 0.520) 1.693 1.161 ( 1.326 -0.026 -1.490) 1.995 1.195 ( 0.151 -1.193 1.598) 2.000 1.208 ( -0.483 0.235 1.181) 1.298 1.234 ( -0.418 -2.067 0.846) 2.272 1.244 ( -1.280 -1.825 -0.286) 2.247 1.304 ( -0.539 1.226 0.302) 1.373 1.323 ( -0.413 -1.752 0.858) 1.994 1.388 ( 3.139 2.338 0.037) 3.914 1.444 ( 0.154 -2.812 -0.145) 2.820 1.584 ( 3.112 1.863 1.296) 3.852 1.610 ( 0.798 0.193 -0.353) 0.893 1.639 ( 0.165 1.549 0.165) 1.566 1.655 ( 1.242 0.451 -0.925) 1.613 1.704 ( 1.310 0.396 0.148) 1.376 1.745 ( 0.247 -2.343 -2.161) 3.197 1.761 ( 2.231 2.303 0.179) 3.211 1.798 ( 2.508 0.489 -0.907) 2.711 1.855 ( 1.555 4.112 -0.522) 4.427 1.907 ( -0.280 -0.831 1.597) 1.822 1.916 ( 3.097 0.677 1.319) 3.434 1.924 ( -0.091 -1.021 0.046) 1.026 1.953 ( 0.202 0.159 0.283) 0.383 2.013 ( 1.333 -1.053 -0.630) 1.812 2.034 ( 2.243 0.264 -0.575) 2.331 2.049 ( 1.409 -1.471 -0.907) 2.230 2.136 ( -2.378 1.769 0.606) 3.025 2.147 ( -1.058 -0.847 0.482) 1.438 2.163 ( -2.610 1.148 0.294) 2.867 2.269 ( -4.052 -5.968 0.428) 7.226 2.542 ( -1.183 3.148 0.593) 3.415 2.557 ( -1.156 3.323 -0.860) 3.622 2.614 ( -0.186 -2.986 0.698) 3.073 2.628 ( -0.311 -2.766 -0.656) 2.859 2.815 ( -1.605 0.389 -0.371) 1.693 2.837 ( -0.131 -1.404 -0.413) 1.470 2.926 ( -0.650 0.996 0.617) 1.340 2.935 ( -2.611 1.201 0.247) 2.885 2.948 ( -0.041 0.823 0.568) 1.001 2.961 ( -2.339 0.348 0.712) 2.470 3.010 ( -2.159 0.719 -0.166) 2.282 3.045 ( -1.857 -1.363 0.162) 2.309 3.118 ( 0.169 1.156 0.331) 1.214 3.142 ( 0.245 -1.669 -1.481) 2.245 3.262 ( -0.750 2.292 1.048) 2.630 3.294 ( -0.891 -0.746 0.047) 1.163 5.880 ( -0.737 -0.000 0.148) 0.751 5.881 ( -0.859 -0.128 -0.051) 0.870 5.897 ( -0.537 0.248 -0.028) 0.593 5.902 ( -0.513 -0.159 0.117) 0.550 7.536 ( 1.792 1.379 -0.424) 2.301 7.547 ( 1.878 0.378 0.062) 1.916 7.613 ( 0.813 0.433 0.020) 0.921 7.636 ( 0.460 -1.679 -0.595) 1.840 7.692 ( -2.550 1.174 0.154) 2.811 7.715 ( -1.293 0.232 -0.259) 1.339 7.787 ( -1.605 1.299 1.130) 2.354 7.851 ( -0.351 -3.403 1.169) 3.615 8.180 ( 1.151 2.632 -0.881) 3.005 8.244 ( 2.491 -3.649 -1.217) 4.583 8.307 ( -0.181 4.442 -0.324) 4.457 8.388 ( 0.783 -3.225 -0.607) 3.374======================= Grid point 87 (36/36) =======================q-point: ( 0.43 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( 2.612 -0.779 -1.441) 3.083 0.621 ( 1.434 -2.541 -3.189) 4.322 0.751 ( 1.572 5.582 -0.935) 5.874 0.812 ( 2.626 2.452 1.177) 3.780 0.853 ( 2.610 -1.379 -2.603) 3.935 0.879 ( -1.519 1.023 -1.526) 2.384 0.971 ( -1.142 -2.832 -0.305) 3.069 0.992 ( -0.880 -6.867 -0.532) 6.944 1.072 ( 2.979 2.161 1.400) 3.938 1.098 ( -0.200 0.381 -0.360) 0.561 1.129 ( -2.112 1.660 2.095) 3.407 1.167 ( 0.532 -1.589 2.169) 2.741 1.195 ( 0.041 1.814 -2.776) 3.317 1.207 ( -0.446 -1.921 0.914) 2.174 1.228 ( -0.279 -3.928 0.009) 3.938 1.246 ( 0.966 -1.957 -2.391) 3.237 1.303 ( 1.012 0.171 -1.630) 1.926 1.311 ( -0.646 -0.754 -1.058) 1.451 1.415 ( -2.194 0.368 0.083) 2.226 1.432 ( 0.998 -0.632 0.128) 1.188 1.609 ( 0.150 1.241 -0.501) 1.346 1.640 ( 1.209 -2.484 -0.445) 2.798 1.654 ( 0.685 3.032 0.314) 3.124 1.704 ( 1.914 -1.150 0.075) 2.234 1.735 ( 3.368 4.540 0.128) 5.654 1.800 ( -0.559 6.178 0.959) 6.277 1.804 ( 4.068 -1.646 1.118) 4.528 1.828 ( 1.382 3.400 -1.145) 3.845 1.886 ( 0.983 3.802 0.725) 3.993 1.913 ( 0.096 -2.544 0.162) 2.551 1.920 ( 1.564 -2.018 0.816) 2.681 1.939 ( -0.164 0.312 -0.759) 0.836 1.979 ( 1.855 -0.926 1.811) 2.753 2.008 ( -1.132 -1.689 -0.432) 2.079 2.033 ( -2.368 -0.608 0.211) 2.454 2.057 ( -1.904 -1.695 0.829) 2.681 2.104 ( 0.904 1.909 -0.029) 2.112 2.127 ( -1.489 -0.943 -0.021) 1.763 2.146 ( 0.088 -1.252 0.292) 1.288 2.190 ( -2.394 -5.834 0.622) 6.337 2.525 ( -0.511 4.771 0.021) 4.799 2.544 ( -0.263 5.780 -0.120) 5.788 2.611 ( -0.034 -3.485 0.040) 3.486 2.637 ( 0.605 -3.236 0.055) 3.293 2.791 ( -0.682 0.957 -0.545) 1.295 2.838 ( 0.199 -3.196 -0.429) 3.231 2.881 ( -1.846 1.797 0.341) 2.599 2.890 ( -1.945 0.455 0.147) 2.003 2.942 ( -0.042 0.903 0.397) 0.988 2.950 ( -0.063 -0.069 0.074) 0.120 2.974 ( -1.146 0.428 0.100) 1.227 3.014 ( -1.059 -1.667 0.349) 2.005 3.123 ( 0.156 1.085 0.874) 1.402 3.158 ( 0.973 -1.817 -1.462) 2.527 3.248 ( -0.530 1.779 0.977) 2.098 3.274 ( -0.893 -0.680 0.414) 1.196 5.869 ( -0.318 -0.093 -0.036) 0.333 5.870 ( -0.255 -0.154 -0.058) 0.304 5.888 ( -0.294 0.342 0.131) 0.469 5.894 ( -0.265 -0.131 0.179) 0.346 7.569 ( 1.299 1.926 -0.512) 2.379 7.579 ( 1.167 1.184 0.089) 1.665 7.620 ( 0.006 -0.126 -0.046) 0.134 7.627 ( -0.792 -1.563 -0.373) 1.791 7.651 ( -1.425 0.516 -0.767) 1.699 7.696 ( -0.554 -2.962 0.090) 3.015 7.765 ( -0.608 4.295 1.410) 4.561 7.844 ( -0.279 -2.955 1.396) 3.280 8.200 ( 0.666 3.382 -1.307) 3.687 8.283 ( 1.226 -4.556 -1.473) 4.942 8.308 ( 0.045 4.718 -0.035) 4.718 8.399 ( 0.322 -3.887 -0.213) 3.906=================== 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 3/12600 10.0 3.988 2.314 1.092 0.000 0.000 -0.000 3/12600 20.0 1.305 0.857 0.468 0.000 0.000 -0.000 3/12600 30.0 0.778 0.548 0.309 0.000 0.000 -0.000 3/12600 40.0 0.563 0.413 0.233 0.000 0.000 -0.000 3/12600 50.0 0.444 0.335 0.187 0.000 0.000 -0.000 3/12600 60.0 0.369 0.283 0.157 0.000 0.000 -0.000 3/12600 70.0 0.317 0.247 0.136 0.000 0.000 -0.000 3/12600 80.0 0.278 0.221 0.120 0.000 0.000 -0.000 3/12600 90.0 0.248 0.200 0.107 0.000 0.000 -0.000 3/12600 100.0 0.225 0.183 0.097 0.000 0.000 -0.000 3/12600 110.0 0.205 0.169 0.089 0.000 0.000 -0.000 3/12600 120.0 0.189 0.158 0.082 0.000 0.000 -0.000 3/12600 130.0 0.176 0.148 0.077 0.000 0.000 -0.000 3/12600 140.0 0.164 0.139 0.072 0.000 0.000 -0.000 3/12600 150.0 0.154 0.131 0.067 0.000 0.000 -0.000 3/12600 160.0 0.145 0.124 0.063 0.000 0.000 -0.000 3/12600 170.0 0.137 0.118 0.060 0.000 0.000 -0.000 3/12600 180.0 0.129 0.112 0.057 0.000 0.000 -0.000 3/12600 190.0 0.123 0.107 0.054 0.000 0.000 -0.000 3/12600 200.0 0.117 0.102 0.051 0.000 0.000 -0.000 3/12600 210.0 0.112 0.098 0.049 0.000 0.000 -0.000 3/12600 220.0 0.107 0.094 0.047 0.000 0.000 -0.000 3/12600 230.0 0.102 0.090 0.045 0.000 0.000 -0.000 3/12600 240.0 0.098 0.087 0.043 0.000 0.000 -0.000 3/12600 250.0 0.095 0.084 0.042 0.000 0.000 -0.000 3/12600 260.0 0.091 0.081 0.040 0.000 0.000 -0.000 3/12600 270.0 0.088 0.078 0.039 0.000 0.000 -0.000 3/12600 280.0 0.085 0.076 0.037 0.000 0.000 -0.000 3/12600 290.0 0.082 0.073 0.036 0.000 0.000 -0.000 3/12600 300.0 0.079 0.071 0.035 0.000 0.000 -0.000 3/12600 310.0 0.077 0.069 0.034 0.000 0.000 -0.000 3/12600 320.0 0.075 0.067 0.033 0.000 0.000 -0.000 3/12600 330.0 0.072 0.065 0.032 0.000 0.000 -0.000 3/12600 340.0 0.070 0.063 0.031 0.000 0.000 -0.000 3/12600 350.0 0.068 0.062 0.030 0.000 0.000 -0.000 3/12600 360.0 0.067 0.060 0.029 0.000 0.000 -0.000 3/12600 370.0 0.065 0.058 0.029 0.000 0.000 -0.000 3/12600 380.0 0.063 0.057 0.028 0.000 0.000 -0.000 3/12600 390.0 0.062 0.056 0.027 0.000 0.000 -0.000 3/12600 400.0 0.060 0.054 0.026 0.000 0.000 -0.000 3/12600 410.0 0.059 0.053 0.026 0.000 0.000 -0.000 3/12600 420.0 0.057 0.052 0.025 0.000 0.000 -0.000 3/12600 430.0 0.056 0.051 0.025 0.000 0.000 -0.000 3/12600 440.0 0.055 0.050 0.024 0.000 0.000 -0.000 3/12600 450.0 0.053 0.048 0.024 0.000 0.000 -0.000 3/12600 460.0 0.052 0.047 0.023 0.000 0.000 -0.000 3/12600 470.0 0.051 0.047 0.023 0.000 0.000 -0.000 3/12600 480.0 0.050 0.046 0.022 0.000 0.000 -0.000 3/12600 490.0 0.049 0.045 0.022 0.000 0.000 -0.000 3/12600 500.0 0.048 0.044 0.021 0.000 0.000 -0.000 3/12600 510.0 0.047 0.043 0.021 0.000 0.000 -0.000 3/12600 520.0 0.046 0.042 0.020 0.000 0.000 -0.000 3/12600 530.0 0.046 0.041 0.020 0.000 0.000 -0.000 3/12600 540.0 0.045 0.041 0.020 0.000 0.000 -0.000 3/12600 550.0 0.044 0.040 0.019 0.000 0.000 -0.000 3/12600 560.0 0.043 0.039 0.019 0.000 0.000 -0.000 3/12600 570.0 0.042 0.039 0.019 0.000 0.000 -0.000 3/12600 580.0 0.042 0.038 0.018 0.000 0.000 -0.000 3/12600 590.0 0.041 0.037 0.018 0.000 0.000 -0.000 3/12600 600.0 0.040 0.037 0.018 0.000 0.000 -0.000 3/12600 610.0 0.040 0.036 0.018 0.000 0.000 -0.000 3/12600 620.0 0.039 0.036 0.017 0.000 0.000 -0.000 3/12600 630.0 0.038 0.035 0.017 0.000 0.000 -0.000 3/12600 640.0 0.038 0.035 0.017 0.000 0.000 -0.000 3/12600 650.0 0.037 0.034 0.016 0.000 0.000 -0.000 3/12600 660.0 0.037 0.034 0.016 0.000 0.000 -0.000 3/12600 670.0 0.036 0.033 0.016 0.000 0.000 -0.000 3/12600 680.0 0.036 0.033 0.016 0.000 0.000 -0.000 3/12600 690.0 0.035 0.032 0.016 0.000 0.000 -0.000 3/12600 700.0 0.035 0.032 0.015 0.000 0.000 -0.000 3/12600 710.0 0.034 0.031 0.015 0.000 0.000 -0.000 3/12600 720.0 0.034 0.031 0.015 0.000 0.000 -0.000 3/12600 730.0 0.033 0.030 0.015 0.000 0.000 -0.000 3/12600 740.0 0.033 0.030 0.014 0.000 0.000 -0.000 3/12600 750.0 0.032 0.030 0.014 0.000 0.000 -0.000 3/12600 760.0 0.032 0.029 0.014 0.000 0.000 -0.000 3/12600 770.0 0.032 0.029 0.014 0.000 0.000 -0.000 3/12600 780.0 0.031 0.028 0.014 0.000 0.000 -0.000 3/12600 790.0 0.031 0.028 0.014 0.000 0.000 -0.000 3/12600 800.0 0.030 0.028 0.013 0.000 0.000 -0.000 3/12600 810.0 0.030 0.027 0.013 0.000 0.000 -0.000 3/12600 820.0 0.030 0.027 0.013 0.000 0.000 -0.000 3/12600 830.0 0.029 0.027 0.013 0.000 0.000 -0.000 3/12600 840.0 0.029 0.026 0.013 0.000 0.000 -0.000 3/12600 850.0 0.029 0.026 0.013 0.000 0.000 -0.000 3/12600 860.0 0.028 0.026 0.012 0.000 0.000 -0.000 3/12600 870.0 0.028 0.026 0.012 0.000 0.000 -0.000 3/12600 880.0 0.028 0.025 0.012 0.000 0.000 -0.000 3/12600 890.0 0.027 0.025 0.012 0.000 0.000 -0.000 3/12600 900.0 0.027 0.025 0.012 0.000 0.000 -0.000 3/12600 910.0 0.027 0.024 0.012 0.000 0.000 -0.000 3/12600 920.0 0.026 0.024 0.012 0.000 0.000 -0.000 3/12600 930.0 0.026 0.024 0.012 0.000 0.000 -0.000 3/12600 940.0 0.026 0.024 0.011 0.000 0.000 -0.000 3/12600 950.0 0.026 0.023 0.011 0.000 0.000 -0.000 3/12600 960.0 0.025 0.023 0.011 0.000 0.000 -0.000 3/12600 970.0 0.025 0.023 0.011 0.000 0.000 -0.000 3/12600 980.0 0.025 0.023 0.011 0.000 0.000 -0.000 3/12600 990.0 0.025 0.023 0.011 0.000 0.000 -0.000 3/12600 1000.0 0.024 0.022 0.011 0.000 0.000 -0.000 3/12600Thermal conductivity related properties were written into "kappa-m755.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:10:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|